0 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,0,0,0,0,0|0,1,0]=1 3 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,0,0,0,0,0|0,1,0]=1 4 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,0,0,0,0,0|2,1,1]=4 8 B6R0.3 C=C(I)C(C)CI MCULE-8558127481 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.3 C=C(I)[C@H](C)CI MCULE-1089285398 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.3 C=C(I)[C@H](C)CI MCULE-5444456468 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [0,0,0,0,0,0|2,1,1]=4 31 B6R0.3 CC(=O)C(C)C#N MCULE-3849364002 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [0,0,0,0,0,0|2,1,1]=4 33 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,0,0,0,0,0|2,1,0]=3 34 B6R0.3 CC(=O)C(Cl)C#N MCULE-7984925847 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,0,0,0,0,0|1,1,0]=2 36 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,0,0,0,0,0|1,1,0]=2 37 B6R0.3 CC(C#N)C(=O)N MCULE-2138676966 [0,0,0,0,0,0|2,0,1]=3 38 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.3 CC(C)C(N)CF MCULE-4101575579 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.3 CC(C)C(N)CF MCULE-4888178244 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.3 CC(C)C(N)CN MCULE-3414430422 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.3 CC(C)C(N)CN MCULE-5279153780 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.3 CC(C)C(N)CO MCULE-2361921763 [0,0,0,0,0,0|2,1,1]=4 44 B6R0.3 CC(C)C(N)CO MCULE-2989454077 [0,0,0,0,0,0|2,1,1]=4 45 B6R0.3 CC(C)C(N)CO MCULE-9793548365 [0,0,0,0,0,0|2,1,1]=4 46 B6R0.3 CC(C)[C@@H](N)CF MCULE-7429178470 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.3 CC(C)[C@@H](N)CF MCULE-7951488806 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.3 CC(C)[C@@H](N)CO MCULE-1135743088 [0,0,0,0,0,0|2,1,1]=4 49 B6R0.3 CC(C)[C@@H](N)CO MCULE-3994511291 [0,0,0,0,0,0|2,1,1]=4 50 B6R0.3 CC(C)[C@H](N)CF MCULE-2978082368 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.3 CC(C)[C@H](N)CF MCULE-4609473233 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.3 CC(C)[C@H](N)CN MCULE-2884084983 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.3 CC(C)[C@H](N)CO MCULE-2625936994 [0,0,0,0,0,0|2,1,1]=4 54 B6R0.3 CC(C)[C@H](N)CO MCULE-3229973889 [0,0,0,0,0,0|2,1,1]=4 55 B6R0.3 CC(C)[C@H](N)CO MCULE-6090001117 [0,0,0,0,0,0|2,1,1]=4 56 B6R0.3 CC(C)[C@H](N)CO MCULE-8284816696 [0,0,0,0,0,0|2,1,1]=4 57 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,0,0,0,0,0|3,0,0]=3 58 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,0,0,0,0,0|3,0,0]=3 59 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,0,0,0,0,0|3,0,0]=3 60 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,0,0,0,0,0|3,0,0]=3 61 B6R0.3 CC(CN)S(=O)C MCULE-9048112625 [0,0,0,0,0,0|4,0,0]=4 62 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,0,0,0,0,0|2,1,0]=3 63 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,0,0,0,0,0|2,1,0]=3 64 B6R0.3 CC(CO)N(=O)=O MCULE-5856696728 [0,0,0,0,0,0|3,1,0]=4 65 B6R0.3 CC(CO)N(C)N MCULE-8306784573 [0,0,0,0,0,0|3,1,0]=4 66 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,0,0,0,0,0|2,0,0]=2 67 B6R0.3 CC(N)C(C)CO MCULE-8179225289 [0,0,0,0,0,0|2,1,1]=4 68 B6R0.3 CC(N)C(O)CO MCULE-8191126136 [0,0,0,0,0,0|2,1,1]=4 69 B6R0.3 CC(O)C(N)CN MCULE-2787573482 [0,0,0,0,0,0|2,0,2]=4 70 B6R0.3 CC(O)C(N)CN MCULE-5330950433 [0,0,0,0,0,0|2,0,2]=4 71 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [0,0,0,0,0,0|1,1,2]=4 72 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,0,0,0,0,0|4,0,0]=4 73 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,0,0,0,0,0|4,0,0]=4 74 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,0,0,0,0,0|4,0,0]=4 75 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,0,0,0,0,0|4,0,0]=4 76 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,0,0,0,0,0|3,0,1]=4 77 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,0,0,0,0,0|3,0,1]=4 79 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,0,0,0,0,0|3,0,0]=3 80 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,0,0,0,0,0|3,0,0]=3 81 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,0,0,0,0,0|3,0,0]=3 82 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,0,0,0,0,0|2,0,0]=2 83 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,0,0,0,0,0|3,0,0]=3 84 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [0,0,0,0,0,0|3,0,0]=3 85 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [0,0,0,0,0,0|3,0,0]=3 86 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,0,0,0,0,0|3,0,0]=3 87 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,0,0,0,0,0|3,0,0]=3 88 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,0,0,0,0,0|2,0,0]=2 89 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,0,0,0,0,0|3,0,0]=3 90 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,0,0,0,0,0|3,0,0]=3 91 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [0,0,0,0,0,0|2,1,0]=3 92 B6R0.3 CCC(C)C(C)N MCULE-1056466337 [0,0,0,0,0,0|3,0,1]=4 93 B6R0.3 CCC(C)C(C)N MCULE-1503543126 [0,0,0,0,0,0|3,0,1]=4 94 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,0,0,0,0,0|3,0,0]=3 95 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,0,0,0,0,0|2,0,0]=2 96 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,0,0,0,0,0|3,0,0]=3 97 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,0,0,0,0,0|3,0,0]=3 98 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,0,0,0,0,0|1,0,0]=1 99 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,0,0,0,0,0|1,0,0]=1 100 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,0,0,0,0,0|1,0,0]=1 101 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,0,0,0,0,0|1,0,0]=1 102 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,0,0,0,0,0|2,0,0]=2 103 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,0,0,0,0,0|2,0,0]=2 104 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,0,0,0,0,0|2,0,0]=2 105 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,0,0,0,0,0|2,0,0]=2 106 B6R0.3 CCC(N)C(C)C MCULE-3624338196 [0,0,0,0,0,0|3,0,1]=4 107 B6R0.3 CCC(N)C(C)C MCULE-4491326477 [0,0,0,0,0,0|3,0,1]=4 108 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [0,0,0,0,0,0|2,0,2]=4 109 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [0,0,0,0,0,0|2,0,2]=4 110 B6R0.3 CCC(N)C(F)F MCULE-3079670807 [0,0,0,0,0,0|3,0,1]=4 111 B6R0.3 CCC(N)C(F)F MCULE-4157824434 [0,0,0,0,0,0|3,0,1]=4 112 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,0,0,0,0,0|2,0,0]=2 113 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,0,0,0,0,0|3,0,0]=3 114 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,0,0,0,0,0|3,0,0]=3 115 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,0,0,0,0,0|3,0,0]=3 116 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,0,0,0,0,0|3,0,0]=3 117 B6R0.3 CCC(O)C(C)N MCULE-4027170059 [0,0,0,0,0,0|3,0,1]=4 118 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,0,0,0,0,0|3,0,0]=3 119 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,0,0,0,0,0|3,0,0]=3 120 B6R0.3 CCN(C)C(=N)N MCULE-1941465818 [0,0,0,0,0,0|4,0,0]=4 121 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,0,0,0,0,0|4,0,0]=4 122 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [0,0,0,0,0,0|4,0,0]=4 123 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,0,0,0,0,0|2,0,0]=2 124 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,0,0,0,0,0|4,0,0]=4 125 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,0,0,0,0,0|3,0,0]=3 126 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,0,0,0,0,0|3,0,0]=3 127 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,0,0,0,0,0|2,0,0]=2 128 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,0,0,0,0,0|2,0,0]=2 129 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,0,0,0,0,0|3,0,0]=3 130 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,0,0,0,0,0|3,0,0]=3 131 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,0,0,0,0,0|3,0,0]=3 132 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,0,0,0,0,0|3,0,0]=3 133 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,0,0,0,0,0|1,0,0]=1 134 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,0,0,0,0,0|1,0,0]=1 135 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,0,0,0,0,0|1,0,0]=1 136 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,0,0,0,0,0|1,0,0]=1 137 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,0,0,0,0,0|2,0,0]=2 138 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,0,0,0,0,0|2,0,0]=2 139 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,0,0,0,0,0|2,0,0]=2 140 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,0,0,0,0,0|2,0,0]=2 141 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [0,0,0,0,0,0|2,0,2]=4 142 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [0,0,0,0,0,0|2,0,2]=4 143 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,0,0,0,0,0|3,0,0]=3 144 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,0,0,0,0,0|3,0,0]=3 145 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,0,0,0,0,0|3,0,0]=3 146 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,0,0,0,0,0|3,0,0]=3 147 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,0,0,0,0,0|3,0,0]=3 148 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,0,0,0,0,0|3,0,0]=3 149 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,0,0,0,0,0|3,0,0]=3 150 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,0,0,0,0,0|1,0,0]=1 151 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,0,0,0,0,0|1,0,0]=1 152 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,0,0,0,0,0|1,0,0]=1 153 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,0,0,0,0,0|1,0,0]=1 154 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,0,0,0,0,0|2,0,0]=2 155 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,0,0,0,0,0|2,0,0]=2 156 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,0,0,0,0,0|2,0,0]=2 157 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,0,0,0,0,0|2,0,0]=2 158 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,0,0,0,0,0|2,0,1]=3 159 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,0,0,0,0,0|2,0,1]=3 160 B6R0.3 CC[C@H](N)C(C)C MCULE-3200638239 [0,0,0,0,0,0|3,0,1]=4 161 B6R0.3 CC[C@H](N)C(C)C MCULE-4973720203 [0,0,0,0,0,0|3,0,1]=4 162 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [0,0,0,0,0,0|2,0,2]=4 163 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [0,0,0,0,0,0|2,0,2]=4 164 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [0,0,0,0,0,0|2,0,2]=4 165 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [0,0,0,0,0,0|2,0,2]=4 166 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [0,0,0,0,0,0|2,0,2]=4 167 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [0,0,0,0,0,0|2,0,2]=4 168 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,0,0,0,0,0|3,0,0]=3 169 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,0,0,0,0,0|3,0,0]=3 170 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,0,0,0,0,0|3,0,0]=3 171 B6R0.3 CN(N=O)C(=O)N MCULE-7683488639 [0,0,0,0,0,0|3,1,0]=4 172 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,0,0,0,0,0|3,0,0]=3 173 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,0,0,0,0,0|3,0,0]=3 174 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,0,0,0,0,0|4,0,0]=4 175 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,0,0,0,0,0|4,0,0]=4 176 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,0,0,0,0,0|4,0,0]=4 177 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,0,0,0,0,0|3,0,0]=3 178 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,0,0,0,0,0|4,0,0]=4 179 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,0,0,0,0,0|4,0,0]=4 180 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,0,0,0,0,0|4,0,0]=4 181 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,0,0,0,0,0|4,0,0]=4 182 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,0,0,0,0,0|4,0,0]=4 183 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,0,0,0,0,0|4,0,0]=4 184 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,0,0,0,0,0|4,0,0]=4 185 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,0,0,0,0,0|4,0,0]=4 186 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,0,0,0,0,0|4,0,0]=4 187 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,0,0,0,0,0|4,0,0]=4 188 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,0,0,0,0,0|3,0,0]=3 189 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,0,0,0,0,0|4,0,0]=4 190 B6R0.3 COC(C)C(=S)N MCULE-6827196665 [0,0,0,0,0,0|3,1,0]=4 191 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,0,0,0,0,0|4,0,0]=4 192 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,0,0,0,0,0|4,0,0]=4 193 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,0,0,0,0,0|4,0,0]=4 194 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,0,0,0,0,0|4,0,0]=4 195 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,0,0,0,0,0|4,0,0]=4 196 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [0,0,0,0,0,0|4,0,0]=4 197 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,0,0,0,0,0|4,0,0]=4 198 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,0,0,0,0,0|3,0,0]=3 199 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,0,0,0,0,0|3,0,0]=3 200 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,0,0,0,0,0|3,0,0]=3 201 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,0,0,0,0,0|3,0,0]=3 202 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,0,0,0,0,0|2,1,0]=3 203 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,0,0,0,0,0|2,1,0]=3 204 B6R0.3 C[C@@H](CS)N(C)C MCULE-7111398165 [0,0,0,0,0,0|4,0,0]=4 205 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [0,0,0,0,0,0|1,1,2]=4 206 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [0,0,0,0,0,0|1,1,2]=4 207 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [0,0,0,0,0,0|1,1,2]=4 208 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [0,0,0,0,0,0|1,1,2]=4 209 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [0,0,0,0,0,0|1,1,2]=4 210 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [0,0,0,0,0,0|1,1,2]=4 211 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,0,0,0,0,0|4,0,0]=4 212 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,0,0,0,0,0|4,0,0]=4 213 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,0,0,0,0,0|3,0,0]=3 214 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,0,0,0,0,0|3,0,0]=3 215 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,0,0,0,0,0|3,0,0]=3 216 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,0,0,0,0,0|3,0,0]=3 217 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,0,0,0,0,0|2,1,0]=3 218 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,0,0,0,0,0|2,1,0]=3 219 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,0,0,0,0,0|2,1,0]=3 220 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [0,0,0,0,0,0|1,1,2]=4 221 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [0,0,0,0,0,0|1,1,2]=4 222 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [0,0,0,0,0,0|1,1,2]=4 223 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [0,0,0,0,0,0|1,1,2]=4 224 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [0,0,0,0,0,0|1,1,2]=4 225 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,0,0,0,0,0|4,0,0]=4 226 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,0,0,0,0,0|4,0,0]=4 227 B6R0.3 N#CC(Br)C(=O)N MCULE-3091108124 [0,0,0,0,0,0|2,0,1]=3 228 B6R0.3 N#CC(N)C(=O)N MCULE-3175667831 [0,0,0,0,0,0|1,0,1]=2 229 B6R0.3 NC(=O)/C(=N/O)/N MCULE-6909019905 [0,0,0,0,0,0|1,1,1]=3 230 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [0,0,0,0,0,0|2,0,0]=2 231 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [0,0,0,0,0,0|2,0,0]=2 232 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,0,0,0,0,0|0,1,0]=1 233 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,0,0,0,0,0|0,1,0]=1 234 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,0,0,0,0,0|0,0,0]=0 235 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,0,0,0,0,0|0,0,0]=0 236 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,0,0,0,0,0|0,1,0]=1 237 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,0,0,0,0,0|0,1,0]=1 238 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,0,0,0,0,0|0,1,0]=1 239 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,0,0,0,0,0|0,0,0]=0 240 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,0,0,0,0,0|0,1,0]=1 241 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,0,0,0,0,0|0,1,0]=1 242 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,0,0,0,0,0|0,1,0]=1 243 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,0,0,0,0,0|0,1,0]=1 244 B6R0.3 NC(=S)/C(=N/O)/N MCULE-1544637781 [0,0,0,0,0,0|1,2,1]=4 245 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,0,0,0,0,0|2,0,0]=2 246 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,0,0,0,0,0|2,0,0]=2 247 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,0,0,0,0,0|2,0,0]=2 248 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,0,0,0,0,0|2,0,0]=2 249 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,0,0,0,0,0|1,1,0]=2 250 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,0,0,0,0,0|1,1,0]=2 251 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,0,0,0,0,0|1,0,0]=1 252 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,0,0,0,0,0|1,0,0]=1 253 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,0,0,0,0,0|1,0,0]=1 254 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,0,0,0,0,0|1,0,0]=1 255 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,0,0,0,0,0|3,0,0]=3 256 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,0,0,0,0,0|3,0,0]=3 257 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,0,0,0,0,0|3,0,0]=3 258 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,0,0,0,0,0|3,0,0]=3 259 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,0,0,0,0,0|2,0,0]=2 260 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,0,0,0,0,0|2,0,0]=2 261 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,0,0,0,0,0|2,0,0]=2 262 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,0,0,0,0,0|2,0,0]=2 263 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,0,0,0,0,0|2,0,0]=2 264 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,0,0,0,0,0|2,0,0]=2 265 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,0,0,0,0,0|2,0,0]=2 266 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,0,0,0,0,0|3,0,0]=3 267 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,0,0,0,0,0|3,0,0]=3 268 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,0,0,0,0,0|3,0,0]=3 269 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,0,0,0,0,0|3,0,0]=3 270 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,0,0,0,0,0|3,0,0]=3 271 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,0,0,0,0,0|3,0,0]=3 272 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,0,0,0,0,0|2,0,0]=2 273 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,0,0,0,0,0|2,0,0]=2 274 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,0,0,0,0,0|2,0,0]=2 275 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,0,0,0,0,0|3,0,0]=3 276 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,0,0,0,0,0|3,0,0]=3 277 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,0,0,0,0,0|3,0,0]=3 278 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,0,0,0,0,0|3,0,0]=3 279 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,0,0,0,0,0|3,0,0]=3 280 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,0,0,0,0,0|3,0,0]=3 281 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,0,0,0,0,0|2,0,0]=2 282 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,0,0,0,0,0|2,0,0]=2 283 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,0,0,0,0,0|2,0,0]=2 284 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,0,0,0,0,0|2,0,0]=2 285 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,0,0,0,0,0|2,0,0]=2 286 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,0,0,0,0,0|2,0,0]=2 287 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,0,0,0,0,0|3,0,0]=3 288 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,0,0,0,0,0|3,0,0]=3 289 B6R0.3 NNC(=O)C(=O)N MCULE-5080628360 [0,0,0,0,0,0|3,0,1]=4 290 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,0,0,0,0,0|2,0,0]=2 291 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,0,0,0,0,0|2,0,0]=2 292 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,0,0,0,0,0|2,0,0]=2 293 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,0,0,0,0,0|2,0,0]=2 294 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,0,0,0,0,0|1,1,0]=2 295 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,0,0,0,0,0|1,1,0]=2 296 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,0,0,0,0,0|1,1,0]=2 297 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,0,0,0,0,0|1,1,0]=2 298 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,0,0,0,0,0|1,0,0]=1 299 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,0,0,0,0,0|1,0,0]=1 300 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,0,0,0,0,0|1,0,0]=1 301 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,0,0,0,0,0|1,0,0]=1 302 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,0,0,0,0,0|2,0,0]=2 303 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,0,0,0,0,0|2,0,0]=2 304 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,0,0,0,0,0|2,0,0]=2 305 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,0,0,0,0,0|2,0,0]=2 306 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,0,0,0,0,0|2,0,0]=2 307 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,0,0,0,0,0|2,0,0]=2 308 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,0,0,0,0,0|1,1,0]=2 309 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,0,0,0,0,0|1,1,0]=2 310 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,0,0,0,0,0|1,0,0]=1 311 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,0,0,0,0,0|1,0,0]=1 312 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,0,0,0,0,0|1,0,0]=1 313 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,0,0,0,0,0|1,0,0]=1 314 B6R0.3 O=C(Cl)C(=O)CBr MCULE-1637788630 [0,0,0,0,0,0|3,0,1]=4 315 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [0,0,0,0,0,0|3,0,0]=3 316 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [0,0,0,0,0,0|3,0,0]=3 317 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,0,0,0,0,0|3,0,1]=4 318 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,0,0,0,0,0|3,0,1]=4 319 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,0,0,0,0,0|3,0,1]=4 320 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,0,0,0,0,0|2,1,1]=4 321 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,0,0,0,0,0|2,0,1]=3 322 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,0,0,0,0,0|3,0,0]=3 323 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,0,0,0,0,0|3,0,0]=3 324 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,0,0,0,0,0|2,1,0]=3 325 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,0,0,0,0,0|3,0,0]=3 326 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,0,0,0,0,0|2,1,0]=3 327 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,0,0,0,0,0|3,0,0]=3 328 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,0,0,0,0,0|3,0,0]=3 329 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,0,0,0,0,0|3,0,0]=3 330 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,0,0,0,0,0|2,1,0]=3 331 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,0,0,0,0,0|2,1,0]=3 332 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,0,0,0,0,0|2,1,0]=3 333 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,0,0,0,0,0|3,0,0]=3 334 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,0,0,0,0,0|2,1,0]=3 335 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,0,0,0,0,0|2,1,0]=3 336 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,0,0,0,0,0|2,1,0]=3 337 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,0,0,0,0,0|2,1,0]=3 338 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,0,0,0,0,0|3,0,0]=3 339 B6R0.3 O=C([O-])C(=O)CF MCULE-9109967389 [0,0,0,0,0,0|3,0,1]=4 340 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [0,0,0,0,0,0|2,0,1]=3 341 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,0,0,0,0,0|2,1,0]=3 342 B6R0.3 O=N(=O)C(Br)CO MCULE-2147001744 [0,0,0,0,0,0|3,1,0]=4 343 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,0,0,0,0,0|2,0,1]=3 344 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,0,0,0,0,0|2,0,0]=2 345 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,0,0,0,0,0|4,0,0]=4 346 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,0,0,0,0,0|0,1,0]=1 347 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,0,0,0,0,0|3,0,0]=3 348 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,0,0,0,0,0|1,1,0]=2 349 B5R0.1 C#CCC(=O)O MCULE-4680699666 [1,0,0,0,0,0|2,0,1]=4 350 B5R0.1 C(C)(N)CCC MCULE-4800297905 [1,0,0,0,0,0|2,0,1]=4 351 B5R0.1 C(C)(N)CCC MCULE-7674864567 [1,0,0,0,0,0|2,0,1]=4 352 B5R0.1 C(C)(N)CCO MCULE-5545469271 [1,0,0,0,0,0|1,1,1]=4 353 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,0,0,0,0,0|1,0,2]=4 354 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [1,0,0,0,0,0|3,0,0]=4 355 B5R0.1 C=C(Br)CCO MCULE-3743908958 [1,0,0,0,0,0|2,1,0]=4 356 B5R0.1 C=C(C)CCBr MCULE-3439794005 [1,0,0,0,0,0|3,0,0]=4 357 B5R0.1 C=C(C)CCC MCULE-8225129744 [1,0,0,0,0,0|3,0,0]=4 358 B5R0.1 C=C(C)CCCl MCULE-2816016781 [1,0,0,0,0,0|3,0,0]=4 359 B5R0.1 C=C(C)CCI MCULE-6317205481 [1,0,0,0,0,0|3,0,0]=4 360 B5R0.1 C=C(C)CCN MCULE-4037025602 [1,0,0,0,0,0|3,0,0]=4 361 B5R0.1 C=C(C)CCN MCULE-5001503744 [1,0,0,0,0,0|3,0,0]=4 362 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,0,0,0,0,0|2,1,0]=4 363 B5R0.1 C=CCC(=N)N MCULE-6305125234 [1,0,0,0,0,0|2,0,1]=4 364 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [1,0,0,0,0,0|2,0,1]=4 365 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,0,0,0,0,0|1,0,1]=3 366 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,0,0,0,0,0|2,0,1]=4 367 B5R0.1 C=CNC(=O)N MCULE-4235216182 [1,0,0,0,0,0|2,0,1]=4 368 B5R0.1 C=NCC(=O)N MCULE-7609497329 [1,0,0,0,0,0|2,0,0]=3 369 B5R0.1 C=NCC(=S)N MCULE-6261527142 [1,0,0,0,0,0|2,1,0]=4 370 B5R0.1 CC(=CCS)C MCULE-4180446913 [1,0,0,0,0,0|2,0,1]=4 371 B5R0.1 CC(=O)CC#N MCULE-7203242552 [1,0,0,0,0,0|2,0,1]=4 372 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,0,0,0,0|2,0,0]=3 373 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,0,0,0,0|2,0,0]=3 374 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,0,0,0,0|2,0,0]=3 375 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,0,0,0,0|2,0,0]=3 376 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,0,0,0,0|1,1,0]=3 377 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,0,0,0,0,0|2,1,0]=4 378 B5R0.1 CC(=O)OCBr MCULE-9842804945 [1,0,0,0,0,0|3,0,0]=4 379 B5R0.1 CC(=O)OCCl MCULE-6822222026 [1,0,0,0,0,0|3,0,0]=4 380 B5R0.1 CC(=O)SCBr MCULE-9794607323 [1,0,0,0,0,0|3,0,0]=4 381 B5R0.1 CC(C)CCS MCULE-7115473363 [1,0,0,0,0,0|2,0,1]=4 382 B5R0.1 CC(N)CCN MCULE-5308134596 [1,0,0,0,0,0|2,0,1]=4 383 B5R0.1 CC(N)CCN MCULE-5880045507 [1,0,0,0,0,0|2,0,1]=4 384 B5R0.1 CC(N)CCN MCULE-7827515430 [1,0,0,0,0,0|2,0,1]=4 385 B5R0.1 CC(N)CCO MCULE-1771399942 [1,0,0,0,0,0|1,1,1]=4 386 B5R0.1 CC(N)CCO MCULE-7239872808 [1,0,0,0,0,0|1,1,1]=4 387 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,0,0,0,0,0|1,0,2]=4 388 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,0,0,0,0,0|2,0,0]=3 389 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,0,0,0,0,0|2,0,0]=3 390 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,0,0,0,0|2,0,0]=3 391 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,0,0,0,0|2,0,0]=3 392 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,0,0,0,0|1,0,0]=2 393 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,0,0,0,0|2,0,0]=3 394 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,0,0,0,0|2,0,0]=3 395 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,0,0,0,0|2,0,0]=3 396 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,0,0,0,0,0|1,1,0]=3 397 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,0,0,0,0|2,0,1]=4 398 B5R0.1 CCCC(C)N MCULE-2640298430 [1,0,0,0,0,0|2,0,1]=4 399 B5R0.1 CCCC(C)N MCULE-7225905167 [1,0,0,0,0,0|2,0,1]=4 400 B5R0.1 CCCN(=O)=O MCULE-5615753372 [1,0,0,0,0,0|3,0,0]=4 401 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [1,0,0,0,0,0|3,0,0]=4 402 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [1,0,0,0,0,0|3,0,0]=4 403 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [1,0,0,0,0,0|2,0,1]=4 404 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [1,0,0,0,0,0|2,0,1]=4 405 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [1,0,0,0,0,0|2,0,1]=4 406 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [1,0,0,0,0,0|2,0,1]=4 407 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [1,0,0,0,0,0|2,0,1]=4 408 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [1,0,0,0,0,0|2,0,1]=4 409 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [1,0,0,0,0,0|2,0,1]=4 410 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [1,0,0,0,0,0|2,0,1]=4 411 B5R0.1 CCNC(=N)N MCULE-4729418155 [1,0,0,0,0,0|3,0,0]=4 412 B5R0.1 CCNC(=N)N MCULE-5123343071 [1,0,0,0,0,0|3,0,0]=4 413 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,0,0,0,0|3,0,0]=4 414 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,0,0,0,0|3,0,0]=4 415 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,0,0,0,0|2,0,0]=3 416 B5R0.1 CCNC(=S)N MCULE-3849517146 [1,0,0,0,0,0|2,1,0]=4 417 B5R0.1 CCOC(=N)N MCULE-3570858508 [1,0,0,0,0,0|3,0,0]=4 418 B5R0.1 CCOC(=N)N MCULE-6061063856 [1,0,0,0,0,0|3,0,0]=4 419 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,0,0,0,0|3,0,0]=4 420 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,0,0,0,0,0|3,0,0]=4 421 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,0,0,0,0|2,0,0]=3 422 B5R0.1 CCOC(=S)N MCULE-4649285010 [1,0,0,0,0,0|2,1,0]=4 423 B5R0.1 CCSC(=N)N MCULE-2161729152 [1,0,0,0,0,0|3,0,0]=4 424 B5R0.1 CCSC(=N)N MCULE-2547252984 [1,0,0,0,0,0|3,0,0]=4 425 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,0,0,0,0|3,0,0]=4 426 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [1,0,0,0,0,0|3,0,0]=4 427 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [1,0,0,0,0,0|3,0,0]=4 428 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [1,0,0,0,0,0|3,0,0]=4 429 B5R0.1 CN(C)CCS MCULE-4356815596 [1,0,0,0,0,0|3,0,0]=4 430 B5R0.1 CN(C)CCS MCULE-4611688723 [1,0,0,0,0,0|3,0,0]=4 431 B5R0.1 CN(C)CCS MCULE-6259585517 [1,0,0,0,0,0|3,0,0]=4 432 B5R0.1 CN(N)CCN MCULE-2782966878 [1,0,0,0,0,0|3,0,0]=4 433 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,0,0,0,0|3,0,0]=4 434 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,0,0,0,0|3,0,0]=4 435 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,0,0,0,0|2,0,0]=3 436 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,0,0,0,0|2,0,0]=3 437 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,0,0,0,0|2,0,0]=3 438 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,0,0,0,0,0|3,0,0]=4 439 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,0,0,0,0,0|3,0,0]=4 440 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,0,0,0,0,0|3,0,0]=4 441 B5R0.1 COCC(=N)N MCULE-4711728356 [1,0,0,0,0,0|3,0,0]=4 442 B5R0.1 COCC(=N)N MCULE-7163250467 [1,0,0,0,0,0|3,0,0]=4 443 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,0,0,0,0|3,0,0]=4 444 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,0,0,0,0,0|3,0,0]=4 445 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,0,0,0,0|2,0,0]=3 446 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,0,0,0,0|3,0,0]=4 447 B5R0.1 COCC(=S)N MCULE-2046809269 [1,0,0,0,0,0|2,1,0]=4 448 B5R0.1 CONC(=O)N MCULE-3063713861 [1,0,0,0,0,0|3,0,0]=4 449 B5R0.1 CS(=O)CCBr MCULE-7846126230 [1,0,0,0,0,0|3,0,0]=4 450 B5R0.1 CS(=O)CCCl MCULE-7012781505 [1,0,0,0,0,0|3,0,0]=4 451 B5R0.1 CS(=O)CCN MCULE-6497874560 [1,0,0,0,0,0|3,0,0]=4 452 B5R0.1 CS(=O)CCN MCULE-8275663766 [1,0,0,0,0,0|3,0,0]=4 453 B5R0.1 CS(=O)CCN MCULE-8330490290 [1,0,0,0,0,0|3,0,0]=4 454 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,0,0,0,0,0|2,1,0]=4 455 B5R0.1 CSCC(=N)N MCULE-7800929509 [1,0,0,0,0,0|3,0,0]=4 456 B5R0.1 CSCC(=N)N MCULE-8499985777 [1,0,0,0,0,0|3,0,0]=4 457 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,0,0,0,0|3,0,0]=4 458 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [1,0,0,0,0,0|3,0,0]=4 459 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,0,0,0,0|2,0,0]=3 460 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,0,0,0,0,0|3,0,0]=4 461 B5R0.1 CSCC(=S)N MCULE-5029100305 [1,0,0,0,0,0|2,1,0]=4 462 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [1,0,0,0,0,0|1,1,1]=4 463 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [1,0,0,0,0,0|1,1,1]=4 464 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [1,0,0,0,0,0|1,1,1]=4 465 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [1,0,0,0,0,0|1,1,1]=4 466 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [1,0,0,0,0,0|1,1,1]=4 467 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [1,0,0,0,0,0|1,1,1]=4 468 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,0,0,0,0,0|2,1,0]=4 469 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [1,0,0,0,0,0|2,0,1]=4 470 B5R0.1 N#CCC(=O)N MCULE-8538286230 [1,0,0,0,0,0|1,0,1]=3 471 B5R0.1 N#CCC(=O)O MCULE-3440765061 [1,0,0,0,0,0|2,0,1]=4 472 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [1,0,0,0,0,0|2,0,1]=4 473 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [1,0,0,0,0,0|2,0,1]=4 474 B5R0.1 N#CCC(=S)N MCULE-6348216099 [1,0,0,0,0,0|1,1,1]=4 475 B5R0.1 N#CCC(=[Se])N MCULE-7730610345 [1,0,0,0,0,0|1,1,1]=4 476 B5R0.1 N=C(N)CCCl MCULE-2314996365 [1,0,0,0,0,0|2,0,0]=3 477 B5R0.1 N=C(N)CCCl MCULE-3129838313 [1,0,0,0,0,0|2,0,0]=3 478 B5R0.1 N=C(N)CCO MCULE-4567824707 [1,0,0,0,0,0|1,1,0]=3 479 B5R0.1 N=C(N)CCO MCULE-7139693715 [1,0,0,0,0,0|1,1,0]=3 480 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [1,0,0,0,0,0|1,0,2]=4 481 B5R0.1 NC(=O)C=NO MCULE-6447662753 [1,0,0,0,0,0|1,1,1]=4 482 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,0,0,0,0|1,0,0]=2 483 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,0,0,0,0|1,0,0]=2 484 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,0,0,0,0|0,1,0]=2 485 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,0,0,0,0|0,0,0]=1 486 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,0,0,0,0,0|1,1,0]=3 487 B5R0.1 NC(=O)NN=O MCULE-2820469915 [1,0,0,0,0,0|2,1,0]=4 488 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,0,0,0,0|2,0,0]=3 489 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,0,0,0,0|1,0,0]=2 490 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,0,0,0,0|1,0,0]=2 491 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,0,0,0,0|2,0,0]=3 492 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,0,0,0,0|2,0,0]=3 493 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,0,0,0,0|2,0,0]=3 494 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,0,0,0,0|2,0,0]=3 495 B5R0.1 NCCN(=O)=O MCULE-8137427440 [1,0,0,0,0,0|3,0,0]=4 496 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,0,0,0,0,0|3,0,0]=4 497 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,0,0,0,0,0|3,0,0]=4 498 B5R0.1 NNCC(=O)N MCULE-2794619708 [1,0,0,0,0,0|2,0,0]=3 499 B5R0.1 NNCC(=O)N MCULE-6773156087 [1,0,0,0,0,0|2,0,0]=3 500 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,0,0,0,0,0|3,0,0]=4 501 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,0,0,0,0,0|3,0,0]=4 502 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,0,0,0,0,0|3,0,0]=4 503 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,0,0,0,0,0|3,0,0]=4 504 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,0,0,0,0,0|3,0,0]=4 505 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,0,0,0,0,0|2,0,0]=3 506 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,0,0,0,0,0|2,0,0]=3 507 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,0,0,0,0,0|2,0,0]=3 508 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [1,0,0,0,0,0|3,0,0]=4 509 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,0,0,0,0|2,0,0]=3 510 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,0,0,0,0|2,0,0]=3 511 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,0,0,0,0|2,0,0]=3 512 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,0,0,0,0|2,0,0]=3 513 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,0,0,0,0|1,1,0]=3 514 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,0,0,0,0|1,0,0]=2 515 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,0,0,0,0,0|2,1,0]=4 516 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,0,0,0,0|1,1,0]=3 517 B5R0.1 O=N(=O)CCO MCULE-2060841405 [1,0,0,0,0,0|2,1,0]=4 518 B5R0.1 O=N(=O)CCS MCULE-4845430658 [1,0,0,0,0,0|2,0,0]=3 519 B5R0.3 C#CC(N)CC MCULE-2327605941 [1,0,0,0,0,0|2,0,1]=4 520 B5R0.3 C#CC(N)CC MCULE-3572771620 [1,0,0,0,0,0|2,0,1]=4 521 B5R0.3 C#CC(N)CO MCULE-2442851523 [1,0,0,0,0,0|1,1,1]=4 522 B5R0.3 C#CC(N)CO MCULE-3866086926 [1,0,0,0,0,0|1,1,1]=4 523 B5R0.3 C#C[C@H](N)CO MCULE-2312982984 [1,0,0,0,0,0|1,1,1]=4 524 B5R0.3 C#C[C@H](N)CO MCULE-8124038281 [1,0,0,0,0,0|1,1,1]=4 525 B5R0.3 C#C[C@H](N)CO MCULE-8753140181 [1,0,0,0,0,0|1,1,1]=4 526 B5R0.3 C#C[C@H](N)CO MCULE-9874393436 [1,0,0,0,0,0|1,1,1]=4 527 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,0,0,0,0,0|2,0,1]=4 528 B5R0.3 C=CC(C)CC MCULE-8112547661 [1,0,0,0,0,0|3,0,0]=4 529 B5R0.3 C=CC(Cl)CCl MCULE-8000466907 [1,0,0,0,0,0|3,0,0]=4 530 B5R0.3 C=CC(N)CC MCULE-6270835453 [1,0,0,0,0,0|2,0,0]=3 531 B5R0.3 C=CC(N)CC MCULE-7920121163 [1,0,0,0,0,0|2,0,0]=3 532 B5R0.3 C=CC(N)CO MCULE-2457433196 [1,0,0,0,0,0|1,1,0]=3 533 B5R0.3 C=CC(N)CO MCULE-6697949182 [1,0,0,0,0,0|1,1,0]=3 534 B5R0.3 C=CC(N)CO MCULE-7137123222 [1,0,0,0,0,0|1,1,0]=3 535 B5R0.3 C=CC(N)CO MCULE-8388687355 [1,0,0,0,0,0|1,1,0]=3 536 B5R0.3 C=CC(O)CBr MCULE-3538023814 [1,0,0,0,0,0|3,0,0]=4 537 B5R0.3 C=CC(O)CC MCULE-2794806228 [1,0,0,0,0,0|3,0,0]=4 538 B5R0.3 C=CC(O)CN MCULE-3472823475 [1,0,0,0,0,0|3,0,0]=4 539 B5R0.3 C=CC(O)CO MCULE-6172654550 [1,0,0,0,0,0|2,1,0]=4 540 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [1,0,0,0,0,0|1,1,0]=3 541 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [1,0,0,0,0,0|1,1,0]=3 542 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [1,0,0,0,0,0|1,1,0]=3 543 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [1,0,0,0,0,0|1,1,0]=3 544 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [1,0,0,0,0,0|2,1,0]=4 545 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [1,0,0,0,0,0|1,1,0]=3 546 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [1,0,0,0,0,0|1,1,0]=3 547 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [1,0,0,0,0,0|1,1,0]=3 548 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [1,0,0,0,0,0|1,1,0]=3 549 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [1,0,0,0,0,0|2,1,0]=4 550 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [1,0,0,0,0,0|2,1,0]=4 551 B5R0.3 CC(CN)CCl MCULE-2423692318 [1,0,0,0,0,0|2,0,1]=4 552 B5R0.3 CC(CN)CCl MCULE-8419541212 [1,0,0,0,0,0|2,0,1]=4 553 B5R0.3 CC(CN)CN MCULE-1464804013 [1,0,0,0,0,0|2,0,1]=4 554 B5R0.3 CC(CN)CN MCULE-3273307813 [1,0,0,0,0,0|2,0,1]=4 555 B5R0.3 CC(CN)CO MCULE-5880795484 [1,0,0,0,0,0|1,1,1]=4 556 B5R0.3 CC(CN)CO MCULE-8083007887 [1,0,0,0,0,0|1,1,1]=4 557 B5R0.3 CC(CO)CS MCULE-1990992504 [1,0,0,0,0,0|1,0,2]=4 558 B5R0.3 CC(CO)NN MCULE-3362748538 [1,0,0,0,0,0|2,1,0]=4 559 B5R0.3 CC(CO)NN MCULE-4440318216 [1,0,0,0,0,0|2,1,0]=4 560 B5R0.3 CCC(Br)C=O MCULE-3064952987 [1,0,0,0,0,0|2,0,0]=3 561 B5R0.3 CCC(C)C=O MCULE-2523669899 [1,0,0,0,0,0|2,0,0]=3 562 B5R0.3 CCC(C)CN MCULE-2777327284 [1,0,0,0,0,0|2,0,1]=4 563 B5R0.3 CCC(C)CN MCULE-7014901600 [1,0,0,0,0,0|2,0,1]=4 564 B5R0.3 CCC(C)CS MCULE-7795095685 [1,0,0,0,0,0|2,0,1]=4 565 B5R0.3 CCC(C)NN MCULE-6074476998 [1,0,0,0,0,0|3,0,0]=4 566 B5R0.3 CCC(C)NN MCULE-8130021960 [1,0,0,0,0,0|3,0,0]=4 567 B5R0.3 CCC(C)NN MCULE-8519369369 [1,0,0,0,0,0|3,0,0]=4 568 B5R0.3 CCC(C)ON MCULE-2907890438 [1,0,0,0,0,0|3,0,0]=4 569 B5R0.3 CCC(C)ON MCULE-4364205813 [1,0,0,0,0,0|3,0,0]=4 570 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [1,0,0,0,0,0|2,0,0]=3 571 B5R0.3 CCC(F)CN MCULE-1291385596 [1,0,0,0,0,0|2,0,1]=4 572 B5R0.3 CCC(F)CN MCULE-7421331323 [1,0,0,0,0,0|2,0,1]=4 573 B5R0.3 CCC(N)C#N MCULE-1350483203 [1,0,0,0,0,0|1,0,2]=4 574 B5R0.3 CCC(N)C#N MCULE-3867024162 [1,0,0,0,0,0|1,0,2]=4 575 B5R0.3 CCC(N)CBr MCULE-3567691924 [1,0,0,0,0,0|2,0,1]=4 576 B5R0.3 CCC(N)CC MCULE-4261937519 [1,0,0,0,0,0|2,0,1]=4 577 B5R0.3 CCC(N)CC MCULE-5899128891 [1,0,0,0,0,0|2,0,1]=4 578 B5R0.3 CCC(N)CN MCULE-6911484065 [1,0,0,0,0,0|1,0,1]=3 579 B5R0.3 CCC(N)CN MCULE-8376506697 [1,0,0,0,0,0|1,0,1]=3 580 B5R0.3 CCC(N)CO MCULE-1135809021 [1,0,0,0,0,0|1,0,2]=4 581 B5R0.3 CCC(N)CO MCULE-7588854111 [1,0,0,0,0,0|1,0,2]=4 582 B5R0.3 CCC(O)CN MCULE-5197026448 [1,0,0,0,0,0|2,0,1]=4 583 B5R0.3 CCC(S)CS MCULE-9332449950 [1,0,0,0,0,0|2,0,1]=4 584 B5R0.3 CCN(C)C=O MCULE-2308681384 [1,0,0,0,0,0|3,0,0]=4 585 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [1,0,0,0,0,0|2,0,1]=4 586 B5R0.3 CC[C@@H](N)C#N MCULE-3696119254 [1,0,0,0,0,0|1,0,2]=4 587 B5R0.3 CC[C@@H](N)C#N MCULE-5586041766 [1,0,0,0,0,0|1,0,2]=4 588 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [1,0,0,0,0,0|1,0,2]=4 589 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [1,0,0,0,0,0|1,0,2]=4 590 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [1,0,0,0,0,0|2,0,1]=4 591 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [1,0,0,0,0,0|2,0,1]=4 592 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [1,0,0,0,0,0|2,0,1]=4 593 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [1,0,0,0,0,0|2,0,1]=4 594 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [1,0,0,0,0,0|2,0,1]=4 595 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [1,0,0,0,0,0|2,0,1]=4 596 B5R0.3 CC[C@H](N)C#N MCULE-4431283179 [1,0,0,0,0,0|1,0,2]=4 597 B5R0.3 CC[C@H](N)C#N MCULE-8842235277 [1,0,0,0,0,0|1,0,2]=4 598 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [1,0,0,0,0,0|2,0,1]=4 599 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [1,0,0,0,0,0|2,0,1]=4 600 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [1,0,0,0,0,0|1,0,2]=4 601 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [1,0,0,0,0,0|1,0,2]=4 602 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [1,0,0,0,0,0|2,0,1]=4 603 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [1,0,0,0,0,0|1,1,1]=4 604 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [1,0,0,0,0,0|1,1,1]=4 605 B5R0.3 N#CC(Br)C=O MCULE-3951653048 [1,0,0,0,0,0|2,0,1]=4 606 B5R0.3 N#CC(Cl)C=O MCULE-3516957476 [1,0,0,0,0,0|2,0,1]=4 607 B5R0.3 N#CC(N)CO MCULE-5918855868 [1,0,0,0,0,0|0,1,2]=4 608 B5R0.3 N#CC(N)CO MCULE-8439000158 [1,0,0,0,0,0|0,1,2]=4 609 B5R0.3 NC(CF)CF MCULE-4671221738 [1,0,0,0,0,0|2,0,1]=4 610 B5R0.3 NC(CF)CF MCULE-8916274721 [1,0,0,0,0,0|2,0,1]=4 611 B5R0.3 NC(CO)CF MCULE-3756808200 [1,0,0,0,0,0|1,0,2]=4 612 B5R0.3 NC(CO)CF MCULE-9468719402 [1,0,0,0,0,0|1,0,2]=4 613 B5R0.3 NC(CO)CO MCULE-1559988016 [1,0,0,0,0,0|0,1,2]=4 614 B5R0.3 NC(CO)CO MCULE-4954119952 [1,0,0,0,0,0|0,1,2]=4 615 B5R0.3 NCC(Br)CBr MCULE-4507622045 [1,0,0,0,0,0|2,0,1]=4 616 B5R0.3 NCC(Br)CBr MCULE-9707598399 [1,0,0,0,0,0|2,0,1]=4 617 B5R0.3 NCC(F)CN MCULE-8855486562 [1,0,0,0,0,0|2,0,1]=4 618 B5R0.3 NCC(F)CO MCULE-6156319956 [1,0,0,0,0,0|1,1,1]=4 619 B5R0.3 NCC(F)CO MCULE-7472307328 [1,0,0,0,0,0|1,1,1]=4 620 B5R0.3 NCC(O)CCl MCULE-1566349721 [1,0,0,0,0,0|2,0,1]=4 621 B5R0.3 NCC(O)CCl MCULE-3532626994 [1,0,0,0,0,0|2,0,1]=4 622 B5R0.3 NCC(O)CCl MCULE-5045913208 [1,0,0,0,0,0|2,0,1]=4 623 B5R0.3 NCC(O)CCl MCULE-7168455596 [1,0,0,0,0,0|2,0,1]=4 624 B5R0.3 NCC(O)CF MCULE-7529777116 [1,0,0,0,0,0|2,0,1]=4 625 B5R0.3 NCC(O)CF MCULE-8092861019 [1,0,0,0,0,0|2,0,1]=4 626 B5R0.3 NCC(O)CN MCULE-4689186078 [1,0,0,0,0,0|2,0,1]=4 627 B5R0.3 NCC(O)CO MCULE-2689763818 [1,0,0,0,0,0|1,1,1]=4 628 B5R0.3 NCC(O)CO MCULE-6096620010 [1,0,0,0,0,0|1,1,1]=4 629 B5R0.3 NCC(O)CO MCULE-7307777212 [1,0,0,0,0,0|1,1,1]=4 630 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [1,0,0,0,0,0|1,1,1]=4 631 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [1,0,0,0,0,0|1,1,1]=4 632 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [1,0,0,0,0,0|0,1,1]=3 633 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [1,0,0,0,0,0|0,1,1]=3 634 B5R0.3 NC[C@@H](O)CCl MCULE-1905964392 [1,0,0,0,0,0|2,0,1]=4 635 B5R0.3 NC[C@@H](O)CCl MCULE-5592096864 [1,0,0,0,0,0|2,0,1]=4 636 B5R0.3 NC[C@@H](O)CCl MCULE-5723497450 [1,0,0,0,0,0|2,0,1]=4 637 B5R0.3 NC[C@@H](O)CCl MCULE-7112738263 [1,0,0,0,0,0|2,0,1]=4 638 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [1,0,0,0,0,0|1,1,1]=4 639 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [1,0,0,0,0,0|1,1,1]=4 640 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [1,0,0,0,0,0|1,1,1]=4 641 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [1,0,0,0,0,0|1,1,1]=4 642 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [1,0,0,0,0,0|1,1,1]=4 643 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [1,0,0,0,0,0|1,1,1]=4 644 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [1,0,0,0,0,0|0,1,1]=3 645 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [1,0,0,0,0,0|0,1,1]=3 646 B5R0.3 NC[C@H](O)CBr MCULE-4679771824 [1,0,0,0,0,0|2,0,1]=4 647 B5R0.3 NC[C@H](O)CBr MCULE-4785059460 [1,0,0,0,0,0|2,0,1]=4 648 B5R0.3 NC[C@H](O)CCl MCULE-3625478007 [1,0,0,0,0,0|2,0,1]=4 649 B5R0.3 NC[C@H](O)CCl MCULE-6692503791 [1,0,0,0,0,0|2,0,1]=4 650 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [1,0,0,0,0,0|1,1,1]=4 651 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [1,0,0,0,0,0|1,1,1]=4 652 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [1,0,0,0,0,0|1,1,1]=4 653 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [1,0,0,0,0,0|1,1,1]=4 654 B5R0.3 NNC(=O)CS MCULE-4913925166 [1,0,0,0,0,0|2,0,1]=4 655 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [1,0,0,0,0,0|1,0,2]=4 656 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [1,0,0,0,0,0|1,0,2]=4 657 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [1,0,0,0,0,0|1,0,2]=4 658 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [1,0,0,0,0,0|1,0,2]=4 659 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [1,0,0,0,0,0|1,0,2]=4 660 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [1,0,0,0,0,0|1,0,2]=4 661 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [1,0,0,0,0,0|1,0,2]=4 662 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [1,0,0,0,0,0|1,0,2]=4 663 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,0,0,0,0,0|1,1,1]=4 664 B5R0.3 O=CC(Br)C=O MCULE-4387864308 [1,0,0,0,0,0|1,1,1]=4 665 B5R0.3 O=CC(Cl)C=O MCULE-4927811862 [1,0,0,0,0,0|1,1,1]=4 666 B5R0.3 O=CC(O)CO MCULE-9581740191 [1,0,0,0,0,0|1,1,0]=3 667 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [1,0,0,0,0,0|1,1,0]=3 668 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [1,0,0,0,0,0|1,1,0]=3 669 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [1,0,0,0,0,0|1,1,0]=3 670 B5R0.3 OCC(O)CS MCULE-6300188207 [1,0,0,0,0,0|1,0,2]=4 671 B5R0.3 OCC(S)CS MCULE-9735516119 [1,0,0,0,0,0|1,0,2]=4 672 B5R0.3 [C@H](O)(CN)CCl MCULE-1220791610 [1,0,0,0,0,0|2,0,1]=4 673 B5R0.3 [C@H](O)(CN)CCl MCULE-4106901858 [1,0,0,0,0,0|2,0,1]=4 674 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [1,0,0,0,0,0|2,0,1]=4 675 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [1,0,0,0,0,0|2,0,1]=4 676 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [1,0,0,0,0,0|1,0,1]=3 677 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,0,0,0,0,0|2,0,1]=4 678 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [1,0,0,0,0,0|2,0,1]=4 679 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [1,0,0,0,0,0|2,0,1]=4 680 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [1,0,0,0,0,0|2,0,1]=4 681 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [1,0,0,0,0,0|3,0,0]=4 682 B5R0.5 C=C(C)C(C)Cl MCULE-5294924458 [1,0,0,0,0,0|3,0,0]=4 683 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [1,0,0,0,0,0|3,0,0]=4 684 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [1,0,0,0,0,0|2,0,1]=4 685 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [1,0,0,0,0,0|2,0,1]=4 686 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [1,0,0,0,0,0|1,0,1]=3 687 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [1,0,0,0,0,0|2,0,1]=4 688 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [1,0,0,0,0,0|2,0,1]=4 689 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [1,0,0,0,0,0|2,0,1]=4 690 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [1,0,0,0,0,0|2,0,1]=4 691 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [1,0,0,0,0,0|1,0,2]=4 692 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [1,0,0,0,0,0|2,0,0]=3 693 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [1,0,0,0,0,0|2,0,0]=3 694 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [1,0,0,0,0,0|2,0,0]=3 695 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [1,0,0,0,0,0|2,0,0]=3 696 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [1,0,0,0,0,0|1,0,0]=2 697 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [1,0,0,0,0,0|1,0,0]=2 698 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,0,0,0,0,0|2,0,0]=3 699 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,0,0,0,0,0|2,0,0]=3 700 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [1,0,0,0,0,0|3,0,0]=4 701 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [1,0,0,0,0,0|3,0,0]=4 702 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [1,0,0,0,0,0|3,0,0]=4 703 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [1,0,0,0,0,0|2,0,0]=3 704 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [1,0,0,0,0,0|1,0,0]=2 705 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [1,0,0,0,0,0|1,0,0]=2 706 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [1,0,0,0,0,0|1,0,0]=2 707 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [1,0,0,0,0,0|1,0,0]=2 708 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [1,0,0,0,0,0|2,0,0]=3 709 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [1,0,0,0,0,0|2,0,0]=3 710 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [1,0,0,0,0,0|1,0,0]=2 711 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [1,0,0,0,0,0|2,0,0]=3 712 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [1,0,0,0,0,0|2,0,0]=3 713 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [1,0,0,0,0,0|2,0,0]=3 714 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [1,0,0,0,0,0|2,0,0]=3 715 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [1,0,0,0,0,0|2,0,0]=3 716 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [1,0,0,0,0,0|2,0,0]=3 717 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [1,0,0,0,0,0|1,0,0]=2 718 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [1,0,0,0,0,0|2,0,0]=3 719 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [1,0,0,0,0,0|2,0,0]=3 720 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [1,0,0,0,0,0|1,1,0]=3 721 B5R0.5 CC(C)C(C)N MCULE-1630754475 [1,0,0,0,0,0|2,0,1]=4 722 B5R0.5 CC(C)C(C)N MCULE-1801901816 [1,0,0,0,0,0|2,0,1]=4 723 B5R0.5 CC(C)C(C)N MCULE-3544463874 [1,0,0,0,0,0|2,0,1]=4 724 B5R0.5 CC(C)C(C)N MCULE-4774844065 [1,0,0,0,0,0|2,0,1]=4 725 B5R0.5 CC(C)N(=O)=O MCULE-8418443353 [1,0,0,0,0,0|3,0,0]=4 726 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [1,0,0,0,0,0|2,0,0]=3 727 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [1,0,0,0,0,0|3,0,0]=4 728 B5R0.5 CC(C)S(=O)[O-] MCULE-2354817364 [1,0,0,0,0,0|3,0,0]=4 729 B5R0.5 CC(C)[C@@H](C)N MCULE-1953734886 [1,0,0,0,0,0|2,0,1]=4 730 B5R0.5 CC(C)[C@@H](C)N MCULE-3105334197 [1,0,0,0,0,0|2,0,1]=4 731 B5R0.5 CC(C)[C@@H](C)N MCULE-9470429569 [1,0,0,0,0,0|2,0,1]=4 732 B5R0.5 CC(C)[C@H](C)N MCULE-2859174363 [1,0,0,0,0,0|2,0,1]=4 733 B5R0.5 CC(C)[C@H](C)N MCULE-3034457659 [1,0,0,0,0,0|2,0,1]=4 734 B5R0.5 CC(C)[C@H](C)N MCULE-5904658917 [1,0,0,0,0,0|2,0,1]=4 735 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [1,0,0,0,0,0|2,0,0]=3 736 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [1,0,0,0,0,0|2,0,0]=3 737 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [1,0,0,0,0,0|2,0,0]=3 738 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [1,0,0,0,0,0|1,0,0]=2 739 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [1,0,0,0,0,0|2,0,0]=3 740 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [1,0,0,0,0,0|2,0,0]=3 741 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [1,0,0,0,0,0|2,0,0]=3 742 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [1,0,0,0,0,0|1,0,0]=2 743 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [1,0,0,0,0,0|0,0,0]=1 744 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [1,0,0,0,0,0|0,0,0]=1 745 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [1,0,0,0,0,0|0,0,0]=1 746 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [1,0,0,0,0,0|0,0,0]=1 747 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [1,0,0,0,0,0|0,0,0]=1 748 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [1,0,0,0,0,0|0,0,0]=1 749 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [1,0,0,0,0,0|1,0,0]=2 750 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [1,0,0,0,0,0|1,0,0]=2 751 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [1,0,0,0,0,0|1,0,0]=2 752 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [1,0,0,0,0,0|1,0,0]=2 753 B5R0.5 CC(N)C(C)N MCULE-6724099648 [1,0,0,0,0,0|1,0,1]=3 754 B5R0.5 CC(N)C(C)O MCULE-3512899672 [1,0,0,0,0,0|1,0,2]=4 755 B5R0.5 CC(N)C(C)O MCULE-6286987696 [1,0,0,0,0,0|1,0,2]=4 756 B5R0.5 CC(N)C(F)F MCULE-5449346446 [1,0,0,0,0,0|2,0,1]=4 757 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [1,0,0,0,0,0|2,0,0]=3 758 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [1,0,0,0,0,0|2,0,0]=3 759 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [1,0,0,0,0,0|1,0,0]=2 760 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [1,0,0,0,0,0|1,0,0]=2 761 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,0,0,0,0,0|2,0,0]=3 762 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,0,0,0,0,0|2,0,0]=3 763 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [1,0,0,0,0,0|2,0,0]=3 764 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [1,0,0,0,0,0|2,0,0]=3 765 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [1,0,0,0,0,0|2,0,0]=3 766 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [1,0,0,0,0,0|1,0,0]=2 767 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,0,0,0,0,0|2,0,0]=3 768 B5R0.5 CN(C)C(=N)N MCULE-6863213372 [1,0,0,0,0,0|3,0,0]=4 769 B5R0.5 CN(C)C(=N)N MCULE-7950775799 [1,0,0,0,0,0|3,0,0]=4 770 B5R0.5 CN(C)C(=N)N MCULE-8265374681 [1,0,0,0,0,0|3,0,0]=4 771 B5R0.5 CN(C)C(=N)N MCULE-9153833571 [1,0,0,0,0,0|3,0,0]=4 772 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [1,0,0,0,0,0|3,0,0]=4 773 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [1,0,0,0,0,0|2,0,0]=3 774 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [1,0,0,0,0,0|3,0,0]=4 775 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [1,0,0,0,0,0|3,0,0]=4 776 B5R0.5 CN(C)C(=S)N MCULE-6937388954 [1,0,0,0,0,0|2,1,0]=4 777 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [1,0,0,0,0,0|1,0,0]=2 778 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [1,0,0,0,0,0|1,1,0]=3 779 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [1,0,0,0,0,0|2,0,0]=3 780 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [1,0,0,0,0,0|2,0,0]=3 781 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [1,0,0,0,0,0|2,0,0]=3 782 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [1,0,0,0,0,0|2,0,0]=3 783 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [1,0,0,0,0,0|2,0,0]=3 784 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [1,0,0,0,0,0|1,0,0]=2 785 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [1,0,0,0,0,0|0,0,0]=1 786 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [1,0,0,0,0,0|0,0,0]=1 787 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [1,0,0,0,0,0|0,0,0]=1 788 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [1,0,0,0,0,0|0,0,0]=1 789 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [1,0,0,0,0,0|1,0,0]=2 790 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [1,0,0,0,0,0|1,0,0]=2 791 B5R0.5 C[C@@H](N)C(F)F MCULE-3679161461 [1,0,0,0,0,0|2,0,1]=4 792 B5R0.5 C[C@@H](N)C(F)F MCULE-5068481064 [1,0,0,0,0,0|2,0,1]=4 793 B5R0.5 C[C@@H](N)[C@@H](C)N MCULE-5194916344 [1,0,0,0,0,0|1,0,1]=3 794 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [1,0,0,0,0,0|1,0,2]=4 795 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [1,0,0,0,0,0|1,0,2]=4 796 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [1,0,0,0,0,0|1,0,2]=4 797 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [1,0,0,0,0,0|1,0,2]=4 798 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [1,0,0,0,0,0|1,0,2]=4 799 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [1,0,0,0,0,0|2,0,0]=3 800 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [1,0,0,0,0,0|2,0,0]=3 801 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [1,0,0,0,0,0|2,0,0]=3 802 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [1,0,0,0,0,0|2,0,0]=3 803 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [1,0,0,0,0,0|1,0,0]=2 804 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [1,0,0,0,0,0|1,0,0]=2 805 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,0,0,0,0,0|2,0,0]=3 806 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,0,0,0,0,0|2,0,0]=3 807 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [1,0,0,0,0,0|2,0,0]=3 808 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [1,0,0,0,0,0|2,0,0]=3 809 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [1,0,0,0,0,0|2,0,0]=3 810 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [1,0,0,0,0,0|2,0,0]=3 811 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [1,0,0,0,0,0|2,0,0]=3 812 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [1,0,0,0,0,0|2,0,0]=3 813 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [1,0,0,0,0,0|2,0,0]=3 814 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [1,0,0,0,0,0|2,0,0]=3 815 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [1,0,0,0,0,0|1,0,0]=2 816 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [1,0,0,0,0,0|0,0,0]=1 817 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [1,0,0,0,0,0|0,0,0]=1 818 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [1,0,0,0,0,0|0,0,0]=1 819 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [1,0,0,0,0,0|0,0,0]=1 820 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [1,0,0,0,0,0|0,0,0]=1 821 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [1,0,0,0,0,0|0,0,0]=1 822 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [1,0,0,0,0,0|0,0,0]=1 823 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [1,0,0,0,0,0|0,0,0]=1 824 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [1,0,0,0,0,0|1,0,0]=2 825 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [1,0,0,0,0,0|1,0,0]=2 826 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [1,0,0,0,0,0|1,0,0]=2 827 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [1,0,0,0,0,0|1,0,0]=2 828 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [1,0,0,0,0,0|1,0,2]=4 829 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [1,0,0,0,0,0|1,0,2]=4 830 B5R0.5 C[C@H](N)[C@H](C)N MCULE-1560418234 [1,0,0,0,0,0|1,0,1]=3 831 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [1,0,0,0,0,0|1,0,2]=4 832 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [1,0,0,0,0,0|1,0,2]=4 833 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [1,0,0,0,0,0|1,0,2]=4 834 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [1,0,0,0,0,0|1,0,2]=4 835 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [1,0,0,0,0,0|1,0,0]=2 836 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,0,0,0,0,0|2,0,0]=3 837 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,0,0,0,0,0|2,0,0]=3 838 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [1,0,0,0,0,0|2,0,0]=3 839 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [1,0,0,0,0,0|2,0,0]=3 840 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [1,0,0,0,0,0|2,0,0]=3 841 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [1,0,0,0,0,0|2,0,0]=3 842 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [1,0,0,0,0,0|2,0,0]=3 843 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [1,0,0,0,0,0|1,0,2]=4 844 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [1,0,0,0,0,0|1,0,2]=4 845 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [1,0,0,0,0,0|1,0,2]=4 846 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [1,0,0,0,0,0|1,0,2]=4 847 B5R0.5 N=C(N)N(N)N MCULE-6225047839 [1,0,0,0,0,0|3,0,0]=4 848 B5R0.5 N=C(N)N(N)N MCULE-8407507713 [1,0,0,0,0,0|3,0,0]=4 849 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [1,0,0,0,0,0|0,1,1]=3 850 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [1,0,0,0,0,0|1,1,1]=4 851 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [1,0,0,0,0,0|1,1,1]=4 852 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [1,0,0,0,0,0|1,1,1]=4 853 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [1,0,0,0,0,0|2,0,0]=3 854 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [1,0,0,0,0,0|2,0,0]=3 855 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [1,0,0,0,0,0|2,0,0]=3 856 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [1,0,0,0,0,0|2,0,0]=3 857 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [1,0,0,0,0,0|2,0,0]=3 858 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [1,0,0,0,0,0|2,0,0]=3 859 B5R0.5 NC(=S)C(=S)N MCULE-3109255800 [1,0,0,0,0,0|0,1,2]=4 860 B5R0.5 NC(=S)C(F)F MCULE-3511485569 [1,0,0,0,0,0|2,1,0]=4 861 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [1,0,0,0,0,0|1,1,0]=3 862 B5R0.5 O=C(Cl)C(Cl)Cl MCULE-2883143305 [1,0,0,0,0,0|3,0,0]=4 863 B5R0.5 O=C(Cl)C(F)Cl MCULE-1579940277 [1,0,0,0,0,0|3,0,0]=4 864 B5R0.5 O=C(Cl)C(F)F MCULE-6700400389 [1,0,0,0,0,0|3,0,0]=4 865 B5R0.5 O=C(F)C(F)F MCULE-6722746663 [1,0,0,0,0,0|3,0,0]=4 866 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [1,0,0,0,0,0|3,0,0]=4 867 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [1,0,0,0,0,0|3,0,0]=4 868 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [1,0,0,0,0,0|3,0,0]=4 869 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [1,0,0,0,0,0|3,0,0]=4 870 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [1,0,0,0,0,0|3,0,0]=4 871 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [1,0,0,0,0,0|3,0,0]=4 872 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [1,0,0,0,0,0|3,0,0]=4 873 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [1,0,0,0,0,0|2,1,0]=4 874 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [1,0,0,0,0,0|3,0,0]=4 875 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [1,0,0,0,0,0|3,0,0]=4 876 B5R0.5 O=C([O-])C(F)Br MCULE-3214706920 [1,0,0,0,0,0|3,0,0]=4 877 B5R0.5 O=C([O-])C(F)Cl MCULE-6121365584 [1,0,0,0,0,0|3,0,0]=4 878 B5R0.5 O=C([O-])C(F)I MCULE-5263796115 [1,0,0,0,0,0|3,0,0]=4 879 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [1,0,0,0,0,0|1,0,0]=2 880 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [0,1,0,0,0,0|3,0,0]=4 881 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [0,1,0,0,0,0|3,0,0]=4 882 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [0,1,0,0,0,0|2,0,0]=3 883 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [0,1,0,0,0,0|2,0,0]=3 884 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [0,1,0,0,0,0|2,0,0]=3 885 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [0,1,0,0,0,0|2,0,0]=3 886 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [0,1,0,0,0,0|3,0,0]=4 887 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [0,1,0,0,0,0|2,0,0]=3 888 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [0,1,0,0,0,0|2,0,0]=3 889 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [0,1,0,0,0,0|2,0,0]=3 890 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [0,1,0,0,0,0|2,0,0]=3 891 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [0,1,0,0,0,0|2,0,0]=3 892 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [0,1,0,0,0,0|2,0,0]=3 893 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [0,1,0,0,0,0|2,0,0]=3 894 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [0,1,0,0,0,0|2,0,0]=3 895 B7R0.5 C=CCC(C)C(=N)N MCULE-3296730912 [0,1,0,0,0,0|3,0,0]=4 896 B7R0.5 C=CCC(C)C(=N)N MCULE-6538157119 [0,1,0,0,0,0|3,0,0]=4 897 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [0,1,0,0,0,0|3,0,0]=4 898 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,1,0,0,0,0|3,0,0]=4 899 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,1,0,0,0,0|2,0,0]=3 900 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,1,0,0,0,0|2,0,0]=3 901 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,1,0,0,0,0|2,0,0]=3 902 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,1,0,0,0,0|2,0,0]=3 903 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,1,0,0,0,0|3,0,0]=4 904 B7R0.5 C=CCN(C)C(=O)N MCULE-1459320786 [0,1,0,0,0,0|3,0,0]=4 905 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,1,0,0,0,0|2,0,0]=3 906 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,1,0,0,0,0|2,0,0]=3 907 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,1,0,0,0,0|2,0,0]=3 908 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,1,0,0,0,0|2,0,0]=3 909 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,1,0,0,0,0|3,0,0]=4 910 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,1,0,0,0,0|2,0,0]=3 911 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,1,0,0,0,0|2,0,0]=3 912 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,1,0,0,0,0|2,0,0]=3 913 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,1,0,0,0,0|2,0,0]=3 914 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,1,0,0,0,0|3,0,0]=4 915 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [0,1,0,0,0,0|3,0,0]=4 916 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [0,1,0,0,0,0|3,0,0]=4 917 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [0,1,0,0,0,0|2,1,0]=4 918 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [0,1,0,0,0,0|3,0,0]=4 919 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [0,1,0,0,0,0|2,1,0]=4 920 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [0,1,0,0,0,0|3,0,0]=4 921 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,1,0,0,0,0|3,0,0]=4 922 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,1,0,0,0,0|3,0,0]=4 923 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [0,1,0,0,0,0|1,1,0]=3 924 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,1,0,0,0,0|2,1,0]=4 925 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [0,1,0,0,0,0|2,1,0]=4 926 B7R0.5 CC(N=N#N)C(=O)N MCULE-4148116960 [0,1,0,0,0,0|3,0,0]=4 927 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [0,1,0,0,0,0|2,0,1]=4 928 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [0,1,0,0,0,0|3,0,0]=4 929 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [0,1,0,0,0,0|3,0,0]=4 930 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [0,1,0,0,0,0|3,0,0]=4 931 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [0,1,0,0,0,0|3,0,0]=4 932 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [0,1,0,0,0,0|2,0,0]=3 933 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [0,1,0,0,0,0|3,0,0]=4 934 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [0,1,0,0,0,0|3,0,0]=4 935 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [0,1,0,0,0,0|3,0,0]=4 936 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [0,1,0,0,0,0|1,0,0]=2 937 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [0,1,0,0,0,0|1,0,0]=2 938 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,1,0,0,0,0|2,0,0]=3 939 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,1,0,0,0,0|2,0,0]=3 940 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,1,0,0,0,0|2,0,0]=3 941 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [0,1,0,0,0,0|2,0,0]=3 942 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,1,0,0,0,0|3,0,0]=4 943 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,1,0,0,0,0|3,0,0]=4 944 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,1,0,0,0,0|2,0,0]=3 945 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,1,0,0,0,0|2,0,0]=3 946 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,1,0,0,0,0|3,0,0]=4 947 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [0,1,0,0,0,0|3,0,0]=4 948 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [0,1,0,0,0,0|1,0,0]=2 949 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [0,1,0,0,0,0|1,0,0]=2 950 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [0,1,0,0,0,0|1,0,0]=2 951 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [0,1,0,0,0,0|1,0,0]=2 952 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,1,0,0,0,0|2,0,0]=3 953 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,1,0,0,0,0|2,0,0]=3 954 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,1,0,0,0,0|2,0,0]=3 955 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,1,0,0,0,0|3,0,0]=4 956 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,1,0,0,0,0|3,0,0]=4 957 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [0,1,0,0,0,0|2,0,0]=3 958 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [0,1,0,0,0,0|2,0,0]=3 959 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [0,1,0,0,0,0|3,0,0]=4 960 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [0,1,0,0,0,0|3,0,0]=4 961 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [0,1,0,0,0,0|3,0,0]=4 962 B7R0.5 CCOC(=O)C(=O)N MCULE-2968497645 [0,1,0,0,0,0|2,0,1]=4 963 B7R0.5 CCOC(=S)C(=O)N MCULE-4600711043 [0,1,0,0,0,0|2,0,1]=4 964 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,1,0,0,0,0|3,0,0]=4 965 B7R0.5 CCOC(C)C(=S)N MCULE-2027801148 [0,1,0,0,0,0|2,1,0]=4 966 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [0,1,0,0,0,0|3,0,0]=4 967 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [0,1,0,0,0,0|3,0,0]=4 968 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [0,1,0,0,0,0|3,0,0]=4 969 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [0,1,0,0,0,0|2,0,0]=3 970 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [0,1,0,0,0,0|2,0,0]=3 971 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [0,1,0,0,0,0|2,0,0]=3 972 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [0,1,0,0,0,0|2,0,0]=3 973 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [0,1,0,0,0,0|2,0,0]=3 974 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [0,1,0,0,0,0|2,0,0]=3 975 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,1,0,0,0,0|2,1,0]=4 976 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [0,1,0,0,0,0|2,1,0]=4 977 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,1,0,0,0,0|2,1,0]=4 978 B7R0.5 COCC(C)C(=S)N MCULE-6392999047 [0,1,0,0,0,0|1,2,0]=4 979 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,1,0,0,0,0|2,1,0]=4 980 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [0,1,0,0,0,0|0,1,0]=2 981 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [0,1,0,0,0,0|0,1,0]=2 982 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,1,0,0,0,0|1,1,0]=3 983 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,1,0,0,0,0|1,1,0]=3 984 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,1,0,0,0,0|1,1,0]=3 985 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,1,0,0,0,0|1,1,0]=3 986 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,1,0,0,0,0|2,1,0]=4 987 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,1,0,0,0,0|1,1,0]=3 988 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,1,0,0,0,0|1,1,0]=3 989 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,1,0,0,0,0|1,1,0]=3 990 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,1,0,0,0,0|1,1,0]=3 991 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,1,0,0,0,0|1,1,0]=3 992 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,1,0,0,0,0|1,1,0]=3 993 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,1,0,0,0,0|1,1,0]=3 994 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,1,0,0,0,0|1,1,0]=3 995 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [0,1,0,0,0,0|2,0,0]=3 996 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,1,0,0,0,0|1,0,0]=2 997 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,1,0,0,0,0|1,0,0]=2 998 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,1,0,0,0,0|1,0,0]=2 999 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [0,1,0,0,0,0|2,0,0]=3 1000 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [0,1,0,0,0,0|1,1,0]=3 1001 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [0,1,0,0,0,0|1,1,0]=3 1002 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [0,1,0,0,0,0|1,1,0]=3 1003 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [0,1,0,0,0,0|1,1,0]=3 1004 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [0,1,0,0,0,0|1,1,0]=3 1005 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [0,1,0,0,0,0|1,1,0]=3 1006 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [0,1,0,0,0,0|2,0,0]=3 1007 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [0,1,0,0,0,0|2,0,0]=3 1008 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [0,1,0,0,0,0|2,0,0]=3 1009 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [0,1,0,0,0,0|2,0,0]=3 1010 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,1,0,0,0,0|2,0,0]=3 1011 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,1,0,0,0,0|2,0,0]=3 1012 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,1,0,0,0,0|2,0,0]=3 1013 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,1,0,0,0,0|2,0,0]=3 1014 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,1,0,0,0,0|1,1,0]=3 1015 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,1,0,0,0,0|1,1,0]=3 1016 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,1,0,0,0,0|1,0,0]=2 1017 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,1,0,0,0,0|1,0,0]=2 1018 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,1,0,0,0,0|1,1,0]=3 1019 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,1,0,0,0,0|3,0,0]=4 1020 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,1,0,0,0,0|3,0,0]=4 1021 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,1,0,0,0,0|2,0,0]=3 1022 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,1,0,0,0,0|2,0,0]=3 1023 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,1,0,0,0,0|2,0,0]=3 1024 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,1,0,0,0,0|2,0,0]=3 1025 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,1,0,0,0,0|2,0,0]=3 1026 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,1,0,0,0,0|2,0,0]=3 1027 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,1,0,0,0,0|2,0,0]=3 1028 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,1,0,0,0,0|3,0,0]=4 1029 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,1,0,0,0,0|3,0,0]=4 1030 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,1,0,0,0,0|2,0,0]=3 1031 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,1,0,0,0,0|2,0,0]=3 1032 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,1,0,0,0,0|2,0,0]=3 1033 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,1,0,0,0,0|2,0,0]=3 1034 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,1,0,0,0,0|3,0,0]=4 1035 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,1,0,0,0,0|2,0,0]=3 1036 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,1,0,0,0,0|2,0,0]=3 1037 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,1,0,0,0,0|2,0,0]=3 1038 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,1,0,0,0,0|2,0,0]=3 1039 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,1,0,0,0,0|2,0,0]=3 1040 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,1,0,0,0,0|2,0,0]=3 1041 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,1,0,0,0,0|2,0,0]=3 1042 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,1,0,0,0,0|2,0,0]=3 1043 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,1,0,0,0,0|2,0,0]=3 1044 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,1,0,0,0,0|3,0,0]=4 1045 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,1,0,0,0,0|3,0,0]=4 1046 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,1,0,0,0,0|1,1,0]=3 1047 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,1,0,0,0,0|2,0,0]=3 1048 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,1,0,0,0,0|2,0,0]=3 1049 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,1,0,0,0,0|2,0,0]=3 1050 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,1,0,0,0,0|2,0,0]=3 1051 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,1,0,0,0,0|1,1,0]=3 1052 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,1,0,0,0,0|1,1,0]=3 1053 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,1,0,0,0,0|1,0,0]=2 1054 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,1,0,0,0,0|1,0,0]=2 1055 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [0,1,0,0,0,0|1,0,0]=2 1056 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,1,0,0,0,0|2,0,0]=3 1057 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,1,0,0,0,0|2,0,0]=3 1058 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,1,0,0,0,0|1,1,0]=3 1059 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,1,0,0,0,0|1,1,0]=3 1060 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,1,0,0,0,0|1,0,0]=2 1061 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,1,0,0,0,0|1,0,0]=2 1062 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [0,1,0,0,0,0|3,0,0]=4 1063 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [0,1,0,0,0,0|3,0,0]=4 1064 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [0,1,0,0,0,0|3,0,0]=4 1065 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [0,1,0,0,0,0|3,0,0]=4 1066 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,1,0,0,0,0|2,1,0]=4 1067 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [0,1,0,0,0,0|2,0,0]=3 1068 B7R0.10 C=CC(N)C(=O)OC MCULE-6449924585 [0,1,0,0,0,0|2,0,1]=4 1069 B7R0.10 C=CC(N)C(=O)OC MCULE-8138684326 [0,1,0,0,0,0|2,0,1]=4 1070 B7R0.10 CC(CCl)C(=N)NO MCULE-4023987029 [0,1,0,0,0,0|3,0,0]=4 1071 B7R0.10 CC(CN)C(N)CO MCULE-1520376315 [0,1,0,0,0,0|1,1,1]=4 1072 B7R0.10 CC(CN)[C@H](N)CO MCULE-9250442888 [0,1,0,0,0,0|1,1,1]=4 1073 B7R0.10 CCC(=O)C(O)CC MCULE-7549931190 [0,1,0,0,0,0|3,0,0]=4 1074 B7R0.10 CCC(Br)C(=O)NC MCULE-5335067622 [0,1,0,0,0,0|2,0,0]=3 1075 B7R0.10 CCC(Br)C(=O)OC MCULE-2335527491 [0,1,0,0,0,0|3,0,0]=4 1076 B7R0.10 CCC(C)/C(=N/O)/N MCULE-3220820796 [0,1,0,0,0,0|2,0,1]=4 1077 B7R0.10 CCC(C)/C(=N/O)/N MCULE-6860766298 [0,1,0,0,0,0|2,0,1]=4 1078 B7R0.10 CCC(C)C(=O)CBr MCULE-7022126762 [0,1,0,0,0,0|3,0,0]=4 1079 B7R0.10 CCC(C)C(=O)CCl MCULE-6800466655 [0,1,0,0,0,0|3,0,0]=4 1080 B7R0.10 CCC(C)C(=O)NC MCULE-5599095900 [0,1,0,0,0,0|2,0,0]=3 1081 B7R0.10 CCC(C)C(=O)NN MCULE-4144584435 [0,1,0,0,0,0|2,0,0]=3 1082 B7R0.10 CCC(C)C(=O)OC MCULE-9845747952 [0,1,0,0,0,0|3,0,0]=4 1083 B7R0.10 CCC(Cl)C(=O)OC MCULE-4773486285 [0,1,0,0,0,0|3,0,0]=4 1084 B7R0.10 CCC(N)C(=O)NC MCULE-7274856339 [0,1,0,0,0,0|1,0,0]=2 1085 B7R0.10 CCC(N)C(=O)NC MCULE-9912780545 [0,1,0,0,0,0|1,0,0]=2 1086 B7R0.10 CCC(N)C(=O)NO MCULE-9162328479 [0,1,0,0,0,0|1,0,0]=2 1087 B7R0.10 CCC(N)C(=O)OC MCULE-1569242271 [0,1,0,0,0,0|2,0,0]=3 1088 B7R0.10 CCC(N)C(=O)OC MCULE-3183954116 [0,1,0,0,0,0|2,0,0]=3 1089 B7R0.10 CCC(N)C(=O)OC MCULE-4045754117 [0,1,0,0,0,0|2,0,0]=3 1090 B7R0.10 CCC(N)C(=O)OC MCULE-5328984047 [0,1,0,0,0,0|2,0,0]=3 1091 B7R0.10 CCC(O)C(=O)OC MCULE-8768500574 [0,1,0,0,0,0|3,0,0]=4 1092 B7R0.10 CCN(N)C(=S)NC MCULE-9798319933 [0,1,0,0,0,0|2,1,0]=4 1093 B7R0.10 CC[C@@H](Br)C(=O)OC MCULE-2676798410 [0,1,0,0,0,0|3,0,0]=4 1094 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6794991435 [0,1,0,0,0,0|2,0,0]=3 1095 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6825672331 [0,1,0,0,0,0|2,0,0]=3 1096 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-7307663817 [0,1,0,0,0,0|2,0,0]=3 1097 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-8717527808 [0,1,0,0,0,0|2,0,0]=3 1098 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-6916010003 [0,1,0,0,0,0|3,0,0]=4 1099 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-9376722018 [0,1,0,0,0,0|3,0,0]=4 1100 B7R0.10 CC[C@H](Br)C(=O)OC MCULE-5490793206 [0,1,0,0,0,0|3,0,0]=4 1101 B7R0.10 CC[C@H](N)C(=O)OC MCULE-2336816190 [0,1,0,0,0,0|2,0,0]=3 1102 B7R0.10 CC[C@H](N)C(=O)OC MCULE-3480066740 [0,1,0,0,0,0|2,0,0]=3 1103 B7R0.10 CC[C@H](N)C(=O)OC MCULE-4883083558 [0,1,0,0,0,0|2,0,0]=3 1104 B7R0.10 CC[C@H](N)C(=O)OC MCULE-6241184216 [0,1,0,0,0,0|2,0,0]=3 1105 B7R0.10 CC[C@H](O)C(=O)OC MCULE-5873092635 [0,1,0,0,0,0|3,0,0]=4 1106 B7R0.10 CC[C@H](O)C(=O)OC MCULE-8209874812 [0,1,0,0,0,0|3,0,0]=4 1107 B7R0.10 CNC(=O)/C(=N/O)/N MCULE-4165941405 [0,1,0,0,0,0|1,1,1]=4 1108 B7R0.10 CNC(=O)C(C)CN MCULE-6853199259 [0,1,0,0,0,0|2,0,0]=3 1109 B7R0.10 CNC(=O)C(C)CN MCULE-9315732080 [0,1,0,0,0,0|2,0,0]=3 1110 B7R0.10 CNC(=O)C(C)NC MCULE-5788965533 [0,1,0,0,0,0|3,0,0]=4 1111 B7R0.10 CNC(=O)C(N)CO MCULE-1507161216 [0,1,0,0,0,0|0,1,0]=2 1112 B7R0.10 CNC(=O)C(O)CN MCULE-4650373222 [0,1,0,0,0,0|2,0,0]=3 1113 B7R0.10 CNC(=O)C(O)CN MCULE-8978952332 [0,1,0,0,0,0|2,0,0]=3 1114 B7R0.10 CNC(=O)[C@H](C)NC MCULE-4236618966 [0,1,0,0,0,0|3,0,0]=4 1115 B7R0.10 CNC(=O)[C@H](C)NC MCULE-9974564724 [0,1,0,0,0,0|3,0,0]=4 1116 B7R0.10 COC(=O)C(Br)CBr MCULE-7056048789 [0,1,0,0,0,0|3,0,0]=4 1117 B7R0.10 COC(=O)C(Br)CF MCULE-4013908914 [0,1,0,0,0,0|3,0,0]=4 1118 B7R0.10 COC(=O)C(Br)CO MCULE-1678765423 [0,1,0,0,0,0|2,1,0]=4 1119 B7R0.10 COC(=O)C(Br)CO MCULE-8437488397 [0,1,0,0,0,0|2,1,0]=4 1120 B7R0.10 COC(=O)C(C)CBr MCULE-5887558960 [0,1,0,0,0,0|3,0,0]=4 1121 B7R0.10 COC(=O)C(C)CBr MCULE-9291707503 [0,1,0,0,0,0|3,0,0]=4 1122 B7R0.10 COC(=O)C(C)CN MCULE-8139628698 [0,1,0,0,0,0|3,0,0]=4 1123 B7R0.10 COC(=O)C(C)CN MCULE-8839292519 [0,1,0,0,0,0|3,0,0]=4 1124 B7R0.10 COC(=O)C(C)CO MCULE-1168600238 [0,1,0,0,0,0|2,1,0]=4 1125 B7R0.10 COC(=O)C(C)CO MCULE-9207150786 [0,1,0,0,0,0|2,1,0]=4 1126 B7R0.10 COC(=O)C(C)CS MCULE-2870797526 [0,1,0,0,0,0|2,0,0]=3 1127 B7R0.10 COC(=O)C(Cl)CCl MCULE-3086208783 [0,1,0,0,0,0|3,0,0]=4 1128 B7R0.10 COC(=O)C(Cl)CO MCULE-9496750776 [0,1,0,0,0,0|2,1,0]=4 1129 B7R0.10 COC(=O)C(F)CN MCULE-3089053107 [0,1,0,0,0,0|3,0,0]=4 1130 B7R0.10 COC(=O)C(F)CN MCULE-5618581260 [0,1,0,0,0,0|3,0,0]=4 1131 B7R0.10 COC(=O)C(F)CO MCULE-2188518229 [0,1,0,0,0,0|2,1,0]=4 1132 B7R0.10 COC(=O)C(N)C#N MCULE-9016686741 [0,1,0,0,0,0|2,0,1]=4 1133 B7R0.10 COC(=O)C(N)CCl MCULE-2253564316 [0,1,0,0,0,0|2,0,0]=3 1134 B7R0.10 COC(=O)C(N)CCl MCULE-3851909822 [0,1,0,0,0,0|2,0,0]=3 1135 B7R0.10 COC(=O)C(N)CCl MCULE-4649966066 [0,1,0,0,0,0|2,0,0]=3 1136 B7R0.10 COC(=O)C(N)CCl MCULE-9193407415 [0,1,0,0,0,0|2,0,0]=3 1137 B7R0.10 COC(=O)C(N)CF MCULE-2617218019 [0,1,0,0,0,0|2,0,0]=3 1138 B7R0.10 COC(=O)C(N)CF MCULE-3926207531 [0,1,0,0,0,0|2,0,0]=3 1139 B7R0.10 COC(=O)C(N)CN MCULE-7949926265 [0,1,0,0,0,0|2,0,0]=3 1140 B7R0.10 COC(=O)C(N)CN MCULE-9215212479 [0,1,0,0,0,0|2,0,0]=3 1141 B7R0.10 COC(=O)C(N)CO MCULE-1874204534 [0,1,0,0,0,0|1,1,0]=3 1142 B7R0.10 COC(=O)C(N)CO MCULE-1907797317 [0,1,0,0,0,0|1,1,0]=3 1143 B7R0.10 COC(=O)C(N)CO MCULE-3851022091 [0,1,0,0,0,0|1,1,0]=3 1144 B7R0.10 COC(=O)C(N)CO MCULE-9875856930 [0,1,0,0,0,0|1,1,0]=3 1145 B7R0.10 COC(=O)C(N)CS MCULE-5131519605 [0,1,0,0,0,0|1,0,0]=2 1146 B7R0.10 COC(=O)C(N)CS MCULE-5561205392 [0,1,0,0,0,0|1,0,0]=2 1147 B7R0.10 COC(=O)C(N)CS MCULE-9291008448 [0,1,0,0,0,0|1,0,0]=2 1148 B7R0.10 COC(=O)C(N)CS MCULE-9963292576 [0,1,0,0,0,0|1,0,0]=2 1149 B7R0.10 COC(=O)C(O)CCl MCULE-1480405341 [0,1,0,0,0,0|3,0,0]=4 1150 B7R0.10 COC(=O)C(O)CN MCULE-1003241246 [0,1,0,0,0,0|3,0,0]=4 1151 B7R0.10 COC(=O)C(O)CN MCULE-9006804473 [0,1,0,0,0,0|3,0,0]=4 1152 B7R0.10 COC(=O)C(O)CO MCULE-1234820163 [0,1,0,0,0,0|2,1,0]=4 1153 B7R0.10 COC(=O)C(O)CO MCULE-2142801284 [0,1,0,0,0,0|2,1,0]=4 1154 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8075978888 [0,1,0,0,0,0|2,1,0]=4 1155 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8903256620 [0,1,0,0,0,0|2,1,0]=4 1156 B7R0.10 COC(=O)[C@@H](C)CBr MCULE-5530851181 [0,1,0,0,0,0|3,0,0]=4 1157 B7R0.10 COC(=O)[C@@H](C)CBr MCULE-8885621324 [0,1,0,0,0,0|3,0,0]=4 1158 B7R0.10 COC(=O)[C@@H](C)CN MCULE-7205157481 [0,1,0,0,0,0|3,0,0]=4 1159 B7R0.10 COC(=O)[C@@H](C)CN MCULE-9885299909 [0,1,0,0,0,0|3,0,0]=4 1160 B7R0.10 COC(=O)[C@@H](C)CO MCULE-6738074317 [0,1,0,0,0,0|2,1,0]=4 1161 B7R0.10 COC(=O)[C@@H](C)CO MCULE-9697255968 [0,1,0,0,0,0|2,1,0]=4 1162 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2209395189 [0,1,0,0,0,0|3,0,0]=4 1163 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2951378763 [0,1,0,0,0,0|3,0,0]=4 1164 B7R0.10 COC(=O)[C@@H](F)CN MCULE-4599856185 [0,1,0,0,0,0|3,0,0]=4 1165 B7R0.10 COC(=O)[C@@H](F)CN MCULE-5571914049 [0,1,0,0,0,0|3,0,0]=4 1166 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-1649684135 [0,1,0,0,0,0|2,0,0]=3 1167 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-4803192908 [0,1,0,0,0,0|2,0,0]=3 1168 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-6514033613 [0,1,0,0,0,0|2,0,0]=3 1169 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-7997387565 [0,1,0,0,0,0|2,0,0]=3 1170 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4407014418 [0,1,0,0,0,0|2,0,0]=3 1171 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4854066134 [0,1,0,0,0,0|2,0,0]=3 1172 B7R0.10 COC(=O)[C@@H](N)CN MCULE-5060962890 [0,1,0,0,0,0|2,0,0]=3 1173 B7R0.10 COC(=O)[C@@H](N)CN MCULE-8572432694 [0,1,0,0,0,0|2,0,0]=3 1174 B7R0.10 COC(=O)[C@@H](N)CO MCULE-2171593224 [0,1,0,0,0,0|1,1,0]=3 1175 B7R0.10 COC(=O)[C@@H](N)CO MCULE-3393088985 [0,1,0,0,0,0|1,1,0]=3 1176 B7R0.10 COC(=O)[C@@H](N)CO MCULE-5476910845 [0,1,0,0,0,0|1,1,0]=3 1177 B7R0.10 COC(=O)[C@@H](N)CO MCULE-9984439264 [0,1,0,0,0,0|1,1,0]=3 1178 B7R0.10 COC(=O)[C@@H](N)CS MCULE-2560943261 [0,1,0,0,0,0|1,0,0]=2 1179 B7R0.10 COC(=O)[C@@H](N)CS MCULE-3682774490 [0,1,0,0,0,0|1,0,0]=2 1180 B7R0.10 COC(=O)[C@@H](N)CS MCULE-6613123984 [0,1,0,0,0,0|1,0,0]=2 1181 B7R0.10 COC(=O)[C@@H](N)CS MCULE-7354291938 [0,1,0,0,0,0|1,0,0]=2 1182 B7R0.10 COC(=O)[C@@H](O)CN MCULE-1265508864 [0,1,0,0,0,0|3,0,0]=4 1183 B7R0.10 COC(=O)[C@@H](O)CN MCULE-2334791448 [0,1,0,0,0,0|3,0,0]=4 1184 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6207278824 [0,1,0,0,0,0|3,0,0]=4 1185 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6634004594 [0,1,0,0,0,0|3,0,0]=4 1186 B7R0.10 COC(=O)[C@@H](O)CO MCULE-3655137528 [0,1,0,0,0,0|2,1,0]=4 1187 B7R0.10 COC(=O)[C@@H](O)CO MCULE-5801355812 [0,1,0,0,0,0|2,1,0]=4 1188 B7R0.10 COC(=O)[C@H](Br)CO MCULE-8230787734 [0,1,0,0,0,0|2,1,0]=4 1189 B7R0.10 COC(=O)[C@H](C)CBr MCULE-3829202918 [0,1,0,0,0,0|3,0,0]=4 1190 B7R0.10 COC(=O)[C@H](C)CBr MCULE-4931737781 [0,1,0,0,0,0|3,0,0]=4 1191 B7R0.10 COC(=O)[C@H](C)CN MCULE-4694019206 [0,1,0,0,0,0|3,0,0]=4 1192 B7R0.10 COC(=O)[C@H](C)CN MCULE-9113866081 [0,1,0,0,0,0|3,0,0]=4 1193 B7R0.10 COC(=O)[C@H](C)CO MCULE-5719676432 [0,1,0,0,0,0|2,1,0]=4 1194 B7R0.10 COC(=O)[C@H](C)CO MCULE-8479546806 [0,1,0,0,0,0|2,1,0]=4 1195 B7R0.10 COC(=O)[C@H](N)CCl MCULE-1199425954 [0,1,0,0,0,0|2,0,0]=3 1196 B7R0.10 COC(=O)[C@H](N)CCl MCULE-2611523756 [0,1,0,0,0,0|2,0,0]=3 1197 B7R0.10 COC(=O)[C@H](N)CCl MCULE-6503487325 [0,1,0,0,0,0|2,0,0]=3 1198 B7R0.10 COC(=O)[C@H](N)CCl MCULE-8714444412 [0,1,0,0,0,0|2,0,0]=3 1199 B7R0.10 COC(=O)[C@H](N)CO MCULE-4463451892 [0,1,0,0,0,0|1,1,0]=3 1200 B7R0.10 COC(=O)[C@H](N)CO MCULE-5622938569 [0,1,0,0,0,0|1,1,0]=3 1201 B7R0.10 COC(=O)[C@H](N)CO MCULE-6021580541 [0,1,0,0,0,0|1,1,0]=3 1202 B7R0.10 COC(=O)[C@H](N)CO MCULE-8237708167 [0,1,0,0,0,0|1,1,0]=3 1203 B7R0.10 COC(=O)[C@H](N)CS MCULE-1845308816 [0,1,0,0,0,0|1,0,0]=2 1204 B7R0.10 COC(=O)[C@H](N)CS MCULE-3480554390 [0,1,0,0,0,0|1,0,0]=2 1205 B7R0.10 COC(=O)[C@H](N)CS MCULE-4432617084 [0,1,0,0,0,0|1,0,0]=2 1206 B7R0.10 COC(=O)[C@H](N)CS MCULE-5747217193 [0,1,0,0,0,0|1,0,0]=2 1207 B7R0.10 COC(=O)[C@H](O)CN MCULE-5902729244 [0,1,0,0,0,0|3,0,0]=4 1208 B7R0.10 COC(=O)[C@H](O)CN MCULE-9252373981 [0,1,0,0,0,0|3,0,0]=4 1209 B7R0.10 COC(=O)[C@H](O)CO MCULE-4219956218 [0,1,0,0,0,0|2,1,0]=4 1210 B7R0.10 COC(=O)[C@H](O)CO MCULE-8891571940 [0,1,0,0,0,0|2,1,0]=4 1211 B7R0.10 COC(C)C(=O)NN MCULE-7263059210 [0,1,0,0,0,0|3,0,0]=4 1212 B7R0.10 NC(CCl)C(=O)NO MCULE-8256545065 [0,1,0,0,0,0|1,0,0]=2 1213 B7R0.10 NNC(=O)C(N)CO MCULE-3324075598 [0,1,0,0,0,0|0,1,0]=2 1214 B7R0.10 NNC(=O)C(N)CO MCULE-6651241883 [0,1,0,0,0,0|0,1,0]=2 1215 B7R0.10 NNC(=O)[C@@H](N)CS MCULE-9375468264 [0,1,0,0,0,0|0,0,0]=1 1216 B7R0.10 N[C@@H](CO)[C@@H](N)CO MCULE-2394488011 [0,1,0,0,0,0|0,1,2]=4 1217 B7R0.10 O=C(CO)C(O)CO MCULE-9818197491 [0,1,0,0,0,0|2,1,0]=4 1218 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8306776225 [0,1,0,0,0,0|2,1,0]=4 1219 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8666498937 [0,1,0,0,0,0|2,1,0]=4 1220 B7R0.10 O=C(CO)[C@H](O)CO MCULE-7828531161 [0,1,0,0,0,0|2,1,0]=4 1221 B7R0.13 C=C[C@@](C)(N)C(=O)O MCULE-4703482436 [0,1,0,0,0,0|2,0,1]=4 1222 B7R0.13 CC(=O)C(C)(C)CO MCULE-7885820738 [0,1,0,0,0,0|2,1,0]=4 1223 B7R0.13 CC(=O)C(F)(F)CBr MCULE-6144124710 [0,1,0,0,0,0|3,0,0]=4 1224 B7R0.13 CC(Br)(CBr)C(=O)O MCULE-1859698457 [0,1,0,0,0,0|3,0,0]=4 1225 B7R0.13 CC(C)(C#N)C(=O)N MCULE-9366288195 [0,1,0,0,0,0|2,0,1]=4 1226 B7R0.13 CC(C)(CBr)C(=O)Cl MCULE-2173837084 [0,1,0,0,0,0|3,0,0]=4 1227 B7R0.13 CC(C)(CBr)C(=O)F MCULE-3596602192 [0,1,0,0,0,0|3,0,0]=4 1228 B7R0.13 CC(C)(CBr)C(=O)N MCULE-5685972374 [0,1,0,0,0,0|2,0,0]=3 1229 B7R0.13 CC(C)(CBr)C(=O)O MCULE-2715950010 [0,1,0,0,0,0|3,0,0]=4 1230 B7R0.13 CC(C)(CCl)C(=O)O MCULE-2346120215 [0,1,0,0,0,0|3,0,0]=4 1231 B7R0.13 CC(C)(CF)C(=O)O MCULE-5866229087 [0,1,0,0,0,0|3,0,0]=4 1232 B7R0.13 CC(C)(CN)C(=O)N MCULE-6885361465 [0,1,0,0,0,0|2,0,0]=3 1233 B7R0.13 CC(C)(CN)C(=O)O MCULE-1750685187 [0,1,0,0,0,0|3,0,0]=4 1234 B7R0.13 CC(C)(CN)C(=O)O MCULE-7138204669 [0,1,0,0,0,0|3,0,0]=4 1235 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [0,1,0,0,0,0|2,1,0]=4 1236 B7R0.13 CC(Cl)(CCl)C(=O)O MCULE-9297172670 [0,1,0,0,0,0|3,0,0]=4 1237 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [0,1,0,0,0,0|1,1,0]=3 1238 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [0,1,0,0,0,0|1,1,0]=3 1239 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [0,1,0,0,0,0|1,0,0]=2 1240 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [0,1,0,0,0,0|1,0,0]=2 1241 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [0,1,0,0,0,0|3,0,0]=4 1242 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [0,1,0,0,0,0|3,0,0]=4 1243 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [0,1,0,0,0,0|2,1,0]=4 1244 B7R0.13 CCC(C)(Br)C(=O)Br MCULE-8711399189 [0,1,0,0,0,0|3,0,0]=4 1245 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [0,1,0,0,0,0|3,0,0]=4 1246 B7R0.13 CCC(C)(C)C(=O)C MCULE-3647111938 [0,1,0,0,0,0|3,0,0]=4 1247 B7R0.13 CCC(C)(C)C(=O)Cl MCULE-7950206740 [0,1,0,0,0,0|3,0,0]=4 1248 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [0,1,0,0,0,0|3,0,0]=4 1249 B7R0.13 CCC(C)(C)S(=O)N MCULE-1907765063 [0,1,0,0,0,0|3,0,0]=4 1250 B7R0.13 CCC(C)(C)[S@@](=O)N MCULE-2523817278 [0,1,0,0,0,0|3,0,0]=4 1251 B7R0.13 CCC(C)(C)[S@@](=O)N MCULE-5923909544 [0,1,0,0,0,0|3,0,0]=4 1252 B7R0.13 CCC(C)(C)[S@](=O)N MCULE-9246547080 [0,1,0,0,0,0|3,0,0]=4 1253 B7R0.13 CCC(C)(C)[S@](=O)N MCULE-9419544831 [0,1,0,0,0,0|3,0,0]=4 1254 B7R0.13 CCC(C)(N)C(=O)N MCULE-6399521661 [0,1,0,0,0,0|1,0,0]=2 1255 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [0,1,0,0,0,0|2,0,0]=3 1256 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [0,1,0,0,0,0|2,0,0]=3 1257 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [0,1,0,0,0,0|2,0,0]=3 1258 B7R0.13 CCC(C)(O)C(=O)C MCULE-5532598723 [0,1,0,0,0,0|3,0,0]=4 1259 B7R0.13 CCC(C)(O)C(=O)Cl MCULE-2893490565 [0,1,0,0,0,0|3,0,0]=4 1260 B7R0.13 CCC(C)(O)C(=O)N MCULE-7082405574 [0,1,0,0,0,0|2,0,0]=3 1261 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [0,1,0,0,0,0|3,0,0]=4 1262 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [0,1,0,0,0,0|3,0,0]=4 1263 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [0,1,0,0,0,0|3,0,0]=4 1264 B7R0.13 CCC(F)(F)C(=O)[O-] MCULE-3572838764 [0,1,0,0,0,0|3,0,0]=4 1265 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [0,1,0,0,0,0|2,0,0]=3 1266 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [0,1,0,0,0,0|2,0,0]=3 1267 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [0,1,0,0,0,0|2,0,0]=3 1268 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [0,1,0,0,0,0|2,0,0]=3 1269 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [0,1,0,0,0,0|2,0,0]=3 1270 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [0,1,0,0,0,0|2,0,0]=3 1271 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [0,1,0,0,0,0|2,0,0]=3 1272 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [0,1,0,0,0,0|2,0,0]=3 1273 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [0,1,0,0,0,0|3,0,0]=4 1274 B7R0.13 CNC(C)(C)C(=O)N MCULE-6402593977 [0,1,0,0,0,0|3,0,0]=4 1275 B7R0.13 CNC(C)(C)C(=O)N MCULE-9381926111 [0,1,0,0,0,0|3,0,0]=4 1276 B7R0.13 COC(C)(C)C(=O)N MCULE-4305162688 [0,1,0,0,0,0|3,0,0]=4 1277 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [0,1,0,0,0,0|1,1,0]=3 1278 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [0,1,0,0,0,0|1,1,0]=3 1279 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [0,1,0,0,0,0|1,0,0]=2 1280 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [0,1,0,0,0,0|1,0,0]=2 1281 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [0,1,0,0,0,0|1,0,0]=2 1282 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [0,1,0,0,0,0|1,0,0]=2 1283 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [0,1,0,0,0,0|3,0,0]=4 1284 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [0,1,0,0,0,0|3,0,0]=4 1285 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [0,1,0,0,0,0|1,1,0]=3 1286 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [0,1,0,0,0,0|1,1,0]=3 1287 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [0,1,0,0,0,0|1,0,0]=2 1288 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [0,1,0,0,0,0|1,0,0]=2 1289 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [0,1,0,0,0,0|1,0,0]=2 1290 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [0,1,0,0,0,0|1,0,0]=2 1291 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [0,1,0,0,0,0|3,0,0]=4 1292 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [0,1,0,0,0,0|3,0,0]=4 1293 B7R0.13 N#CC(Br)(Br)C(=O)N MCULE-9977107579 [0,1,0,0,0,0|2,0,1]=4 1294 B7R0.13 NCC(F)(F)C(=O)N MCULE-1522301920 [0,1,0,0,0,0|2,0,0]=3 1295 B7R0.13 NCC(F)(F)C(=O)N MCULE-2239490291 [0,1,0,0,0,0|2,0,0]=3 1296 B7R0.13 NCC(F)(F)C(=O)O MCULE-3688560337 [0,1,0,0,0,0|3,0,0]=4 1297 B7R0.13 NCC(F)(F)C(=O)O MCULE-9077054646 [0,1,0,0,0,0|3,0,0]=4 1298 B7R0.13 O=C(Cl)C(F)(Cl)CCl MCULE-8770305626 [0,1,0,0,0,0|3,0,0]=4 1299 B7R0.13 O=C(O)C(Cl)(Cl)CCl MCULE-4394770604 [0,1,0,0,0,0|3,0,0]=4 1300 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [0,1,0,0,0,0|2,1,0]=4 1301 B7R0.14 CC(CN)S(=O)(=O)N MCULE-6725610665 [0,1,0,0,0,0|3,0,0]=4 1302 B7R0.14 CC(CN)S(=O)(=O)N MCULE-8136533021 [0,1,0,0,0,0|3,0,0]=4 1303 B7R0.14 CCC(C)S(=O)(=O)N MCULE-1411854215 [0,1,0,0,0,0|3,0,0]=4 1304 B7R0.14 CCC(N)P(=O)(O)O MCULE-5746903883 [0,1,0,0,0,0|3,0,0]=4 1305 B7R0.15 CC(=O)C(CO)CO MCULE-6408384667 [0,1,0,0,0,0|2,1,0]=4 1306 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [0,1,0,0,0,0|2,0,1]=4 1307 B7R0.15 CCC(CC)C(=O)C MCULE-5291760485 [0,1,0,0,0,0|3,0,0]=4 1308 B7R0.15 CCC(CC)C(=O)Cl MCULE-1027070009 [0,1,0,0,0,0|3,0,0]=4 1309 B7R0.15 CCC(CC)C(=O)N MCULE-7337294425 [0,1,0,0,0,0|2,0,0]=3 1310 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [0,1,0,0,0,0|3,0,0]=4 1311 B7R0.15 CCC(CC)C(=S)N MCULE-8027076934 [0,1,0,0,0,0|2,1,0]=4 1312 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,1,0,0,0,0|2,0,0]=3 1313 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,1,0,0,0,0|2,0,0]=3 1314 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,1,0,0,0,0|2,1,0]=4 1315 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [0,1,0,0,0,0|2,1,0]=4 1316 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [0,1,0,0,0,0|1,0,0]=2 1317 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [0,1,0,0,0,0|1,0,0]=2 1318 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [0,1,0,0,0,0|2,0,0]=3 1319 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [0,1,0,0,0,0|2,0,0]=3 1320 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [0,1,0,0,0,0|2,0,0]=3 1321 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,1,0,0,0,0|2,0,0]=3 1322 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [0,1,0,0,0,0|2,0,0]=3 1323 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [0,1,0,0,0,0|3,0,0]=4 1324 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [0,1,0,0,0,0|3,0,0]=4 1325 B7R0.15 CCN(CC)C(=O)N MCULE-7011051295 [0,1,0,0,0,0|3,0,0]=4 1326 B7R0.15 CCN(N=O)C(=O)N MCULE-1587704958 [0,1,0,0,0,0|2,0,1]=4 1327 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,1,0,0,0,0|2,0,0]=3 1328 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,1,0,0,0,0|2,0,0]=3 1329 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,1,0,0,0,0|2,0,0]=3 1330 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,1,0,0,0,0|2,0,0]=3 1331 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,1,0,0,0,0|2,0,0]=3 1332 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,1,0,0,0,0|2,1,0]=4 1333 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [0,1,0,0,0,0|1,0,0]=2 1334 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [0,1,0,0,0,0|1,0,0]=2 1335 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [0,1,0,0,0,0|1,0,0]=2 1336 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [0,1,0,0,0,0|1,0,0]=2 1337 B7R0.15 CNC(CN)C(=O)N MCULE-4431940195 [0,1,0,0,0,0|1,0,0]=2 1338 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,1,0,0,0,0|1,1,0]=3 1339 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,1,0,0,0,0|1,1,0]=3 1340 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [0,1,0,0,0,0|1,0,0]=2 1341 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [0,1,0,0,0,0|1,0,0]=2 1342 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [0,1,0,0,0,0|2,0,0]=3 1343 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [0,1,0,0,0,0|2,0,0]=3 1344 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,1,0,0,0,0|1,1,0]=3 1345 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,1,0,0,0,0|1,1,0]=3 1346 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,1,0,0,0,0|1,1,0]=3 1347 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,1,0,0,0,0|1,1,0]=3 1348 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [0,1,0,0,0,0|1,0,0]=2 1349 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [0,1,0,0,0,0|1,0,0]=2 1350 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,1,0,0,0,0|1,1,0]=3 1351 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,1,0,0,0,0|1,1,0]=3 1352 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [0,1,0,0,0,0|3,0,0]=4 1353 B7R0.15 COC(CN)C(=O)N MCULE-3215392526 [0,1,0,0,0,0|2,0,0]=3 1354 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [0,1,0,0,0,0|3,0,0]=4 1355 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [0,1,0,0,0,0|3,0,0]=4 1356 B7R0.15 COC(OC)C(=O)N MCULE-2624682764 [0,1,0,0,0,0|3,0,0]=4 1357 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [0,1,0,0,0,0|3,0,0]=4 1358 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [0,1,0,0,0,0|3,0,0]=4 1359 B7R0.15 N#CC(CN)C(=O)O MCULE-3513807694 [0,1,0,0,0,0|2,0,1]=4 1360 B7R0.15 NC(=O)N(CO)CO MCULE-8654518853 [0,1,0,0,0,0|2,1,0]=4 1361 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,1,0,0,0,0|1,1,0]=3 1362 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,1,0,0,0,0|1,1,0]=3 1363 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,1,0,0,0,0|1,1,0]=3 1364 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,1,0,0,0,0|1,1,0]=3 1365 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,1,0,0,0,0|1,1,0]=3 1366 B7R0.15 O=C(O)C(CBr)CBr MCULE-5180730979 [0,1,0,0,0,0|3,0,0]=4 1367 B7R0.15 O=C(O)C(CS)CS MCULE-3175815620 [0,1,0,0,0,0|2,0,0]=3 1368 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,1,0,0,0,0|1,1,0]=3 1369 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,0,0,0,0|2,0,1]=4 1370 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,0,0,0,0|2,0,1]=4 1371 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,0,0,0,0|2,0,1]=4 1372 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,0,0,0,0|2,0,1]=4 1373 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,0,0,0,0|2,0,1]=4 1374 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,0,0,0,0|2,0,1]=4 1375 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,0,0,0,0|2,0,1]=4 1376 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,0,0,0,0|2,0,1]=4 1377 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [0,1,0,0,0,0|3,0,0]=4 1378 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [0,1,0,0,0,0|3,0,0]=4 1379 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,1,0,0,0,0|1,1,1]=4 1380 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,1,0,0,0,0|1,1,1]=4 1381 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,1,0,0,0,0|3,0,0]=4 1382 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,1,0,0,0,0|3,0,0]=4 1383 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,1,0,0,0,0|1,1,1]=4 1384 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [0,1,0,0,0,0|3,0,0]=4 1385 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [0,1,0,0,0,0|3,0,0]=4 1386 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [0,1,0,0,0,0|2,0,0]=3 1387 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,1,0,0,0,0|3,0,0]=4 1388 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,1,0,0,0,0|3,0,0]=4 1389 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [0,1,0,0,0,0|3,0,0]=4 1390 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,1,0,0,0,0|3,0,0]=4 1391 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [0,1,0,0,0,0|3,0,0]=4 1392 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,1,0,0,0,0|3,0,0]=4 1393 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,1,0,0,0,0|3,0,0]=4 1394 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,1,0,0,0,0|1,0,0]=2 1395 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,1,0,0,0,0|1,0,0]=2 1396 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,1,0,0,0,0|2,0,0]=3 1397 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,1,0,0,0,0|2,0,0]=3 1398 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,1,0,0,0,0|3,0,0]=4 1399 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,1,0,0,0,0|3,0,0]=4 1400 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,1,0,0,0,0|3,0,0]=4 1401 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,1,0,0,0,0|3,0,0]=4 1402 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,1,0,0,0,0|1,0,0]=2 1403 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,1,0,0,0,0|1,0,0]=2 1404 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,1,0,0,0,0|1,0,0]=2 1405 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,1,0,0,0,0|1,0,0]=2 1406 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,1,0,0,0,0|2,0,0]=3 1407 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,1,0,0,0,0|2,0,0]=3 1408 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,1,0,0,0,0|3,0,0]=4 1409 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,1,0,0,0,0|3,0,0]=4 1410 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,1,0,0,0,0|3,0,0]=4 1411 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,1,0,0,0,0|3,0,0]=4 1412 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,1,0,0,0,0|3,0,0]=4 1413 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,1,0,0,0,0|3,0,0]=4 1414 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,1,0,0,0,0|3,0,0]=4 1415 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,1,0,0,0,0|3,0,0]=4 1416 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,1,0,0,0,0|1,0,0]=2 1417 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,1,0,0,0,0|1,0,0]=2 1418 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,1,0,0,0,0|1,0,0]=2 1419 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,1,0,0,0,0|1,0,0]=2 1420 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,1,0,0,0,0|1,0,0]=2 1421 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,1,0,0,0,0|1,0,0]=2 1422 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,1,0,0,0,0|2,0,0]=3 1423 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,1,0,0,0,0|2,0,0]=3 1424 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,1,0,0,0,0|3,0,0]=4 1425 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,1,0,0,0,0|3,0,0]=4 1426 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,1,0,0,0,0|2,0,0]=3 1427 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,1,0,0,0,0|3,0,0]=4 1428 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,1,0,0,0,0|3,0,0]=4 1429 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,1,0,0,0,0|3,0,0]=4 1430 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,1,0,0,0,0|3,0,0]=4 1431 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,0,0,0,0|2,1,0]=4 1432 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,1,0,0,0,0|0,1,0]=2 1433 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,1,0,0,0,0|0,1,0]=2 1434 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,0,0,0,0|1,1,0]=3 1435 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,0,0,0,0|1,1,0]=3 1436 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,0,0,0,0|2,0,0]=3 1437 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,0,0,0,0|1,1,0]=3 1438 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,0,0,0,0|1,1,0]=3 1439 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,0,0,0,0|1,1,0]=3 1440 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,0,0,0,0|1,1,0]=3 1441 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,1,0,0,0,0|0,1,0]=2 1442 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,1,0,0,0,0|0,1,0]=2 1443 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,1,0,0,0,0|0,1,0]=2 1444 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,1,0,0,0,0|0,1,0]=2 1445 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,1,0,0,0,0|0,1,0]=2 1446 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,1,0,0,0,0|0,1,0]=2 1447 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,0,0,0,0|1,1,0]=3 1448 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,0,0,0,0|1,1,0]=3 1449 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,0,0,0,0|1,1,0]=3 1450 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,0,0,0,0|1,1,0]=3 1451 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,0,0,0,0|1,1,0]=3 1452 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,0,0,0,0|2,1,0]=4 1453 B7R0.16 C[C@H](C(=O)N)N(C)C MCULE-1489374162 [0,1,0,0,0,0|3,0,0]=4 1454 B7R0.16 C[C@H](C(=O)N)N(C)C MCULE-7938995734 [0,1,0,0,0,0|3,0,0]=4 1455 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,1,0,0,0,0|3,0,0]=4 1456 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,1,0,0,0,0|3,0,0]=4 1457 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,0,0,0,0|2,1,0]=4 1458 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,0,0,0,0|2,0,0]=3 1459 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,1,0,0,0,0|3,0,0]=4 1460 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,1,0,0,0,0|3,0,0]=4 1461 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,0,0,0,0|2,0,0]=3 1462 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,0,0,0,0|1,1,0]=3 1463 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,0,0,0,0|1,1,0]=3 1464 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,0,0,0,0|1,1,0]=3 1465 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,0,0,0,0|1,1,0]=3 1466 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,0,0,0,0|1,1,0]=3 1467 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,0,0,0,0|1,1,0]=3 1468 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [0,1,0,0,0,0|1,1,1]=4 1469 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,1,0,0,0,0|0,1,1]=3 1470 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,0,0,0,0|1,1,1]=4 1471 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [0,1,0,0,0,0|3,0,0]=4 1472 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [0,0,0,1,0,0|1,0,0]=2 1473 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [0,0,0,1,0,0|1,0,0]=2 1474 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,0,0,1,0,0|2,0,1]=4 1475 B7R1.4 C=C1COCC1N MCULE-4632261286 [0,0,0,1,0,0|2,1,0]=4 1476 B7R1.4 C=C1COCC1N MCULE-7153575301 [0,0,0,1,0,0|2,1,0]=4 1477 B7R1.4 CC1C=NNC1=O MCULE-2547711142 [0,0,0,1,0,0|2,0,1]=4 1478 B7R1.4 CC1CCCC1=O MCULE-3710290162 [0,0,0,1,0,0|3,0,0]=4 1479 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,0,0,1,0,0|2,0,0]=3 1480 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,0,0,1,0,0|3,0,0]=4 1481 B7R1.4 CC1CNCC1=O MCULE-2728909327 [0,0,0,1,0,0|3,0,0]=4 1482 B7R1.4 CC1CNCC1=O MCULE-9172381840 [0,0,0,1,0,0|3,0,0]=4 1483 B7R1.4 CC1COCC1=O MCULE-8115238635 [0,0,0,1,0,0|2,1,0]=4 1484 B7R1.4 CC1CON=C1N MCULE-8845082604 [0,0,0,1,0,0|2,1,0]=4 1485 B7R1.4 CC1CSCC1=O MCULE-5611423322 [0,0,0,1,0,0|2,0,0]=3 1486 B7R1.4 CC1CSCC1N MCULE-5628200403 [0,0,0,1,0,0|2,0,1]=4 1487 B7R1.4 CN1CCNC1=O MCULE-9774864412 [0,0,0,1,0,0|3,0,0]=4 1488 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,0,0,1,0,0|2,0,0]=3 1489 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,0,0,1,0,0|2,0,0]=3 1490 B7R1.4 NC1=CNNC1=O MCULE-5341060497 [0,0,0,1,0,0|1,0,2]=4 1491 B7R1.4 NC1=CNNC1=O MCULE-9560987259 [0,0,0,1,0,0|1,0,2]=4 1492 B7R1.4 NC1=CSC=C1N MCULE-3102958778 [0,0,0,1,0,0|1,0,2]=4 1493 B7R1.4 NC1=CSC=C1N MCULE-8039905444 [0,0,0,1,0,0|1,0,2]=4 1494 B7R1.4 NC1=CSC=C1N MCULE-9684053669 [0,0,0,1,0,0|1,0,2]=4 1495 B7R1.4 NC1=NSN=C1N MCULE-6308297958 [0,0,0,1,0,0|2,0,1]=4 1496 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,0,0,1,0,0|2,0,0]=3 1497 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,0,0,1,0,0|2,0,0]=3 1498 B7R1.4 NC1CCCC1N MCULE-5161769230 [0,0,0,1,0,0|2,0,1]=4 1499 B7R1.4 NC1CCCC1N MCULE-7834445190 [0,0,0,1,0,0|2,0,1]=4 1500 B7R1.4 NC1CCNC1=O MCULE-2061829370 [0,0,0,1,0,0|1,0,0]=2 1501 B7R1.4 NC1CCNC1=O MCULE-4272585488 [0,0,0,1,0,0|1,0,0]=2 1502 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,0,0,1,0,0|2,0,0]=3 1503 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,0,0,1,0,0|2,0,0]=3 1504 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,0,0,1,0,0|2,0,0]=3 1505 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,0,0,1,0,0|2,0,0]=3 1506 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,0,0,1,0,0|2,0,0]=3 1507 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,0,0,1,0,0|2,0,0]=3 1508 B7R1.4 NC1CCSC1=O MCULE-5181497015 [0,0,0,1,0,0|2,0,0]=3 1509 B7R1.4 NC1CCSC1=O MCULE-8775141567 [0,0,0,1,0,0|2,0,0]=3 1510 B7R1.4 NC1COCC1N MCULE-1202195361 [0,0,0,1,0,0|1,1,1]=4 1511 B7R1.4 NC1COCC1N MCULE-4117465167 [0,0,0,1,0,0|1,1,1]=4 1512 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,0,0,1,0,0|0,1,0]=2 1513 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,0,0,1,0,0|0,1,0]=2 1514 B7R1.4 NC1CSCC1O MCULE-4474934833 [0,0,0,1,0,0|1,0,2]=4 1515 B7R1.4 NC1CSCC1O MCULE-5059305463 [0,0,0,1,0,0|1,0,2]=4 1516 B7R1.4 NC1CSCC1O MCULE-8633680588 [0,0,0,1,0,0|1,0,2]=4 1517 B7R1.4 NN1C=NNC1=O MCULE-1613661520 [0,0,0,1,0,0|2,0,1]=4 1518 B7R1.4 NN1CCCC1=O MCULE-2994786381 [0,0,0,1,0,0|3,0,0]=4 1519 B7R1.4 NN1CCCC1=O MCULE-5599329775 [0,0,0,1,0,0|3,0,0]=4 1520 B7R1.4 NN1CCNC1=O MCULE-9094725216 [0,0,0,1,0,0|2,0,0]=3 1521 B7R1.4 NN1CCNC1=S MCULE-6710971353 [0,0,0,1,0,0|2,1,0]=4 1522 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,0,0,1,0,0|3,0,0]=4 1523 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,0,0,1,0,0|3,0,0]=4 1524 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-1630250066 [0,0,0,1,0,0|2,0,1]=4 1525 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-5738867214 [0,0,0,1,0,0|2,0,1]=4 1526 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-5794367720 [0,0,0,1,0,0|2,0,1]=4 1527 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-6079002018 [0,0,0,1,0,0|2,0,1]=4 1528 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-7332231839 [0,0,0,1,0,0|2,0,1]=4 1529 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-7604406385 [0,0,0,1,0,0|2,0,1]=4 1530 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [0,0,0,1,0,0|1,0,0]=2 1531 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [0,0,0,1,0,0|1,0,0]=2 1532 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [0,0,0,1,0,0|1,0,0]=2 1533 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [0,0,0,1,0,0|1,0,0]=2 1534 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,0,0,1,0,0|2,0,0]=3 1535 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,0,0,1,0,0|2,0,0]=3 1536 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,0,0,1,0,0|2,0,0]=3 1537 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,0,0,1,0,0|2,0,0]=3 1538 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [0,0,0,1,0,0|2,0,0]=3 1539 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [0,0,0,1,0,0|2,0,0]=3 1540 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [0,0,0,1,0,0|2,0,0]=3 1541 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [0,0,0,1,0,0|2,0,0]=3 1542 B7R1.4 N[C@@H]1COC[C@@H]1N MCULE-5625344145 [0,0,0,1,0,0|1,1,1]=4 1543 B7R1.4 N[C@@H]1COC[C@@H]1N MCULE-5743565778 [0,0,0,1,0,0|1,1,1]=4 1544 B7R1.4 N[C@@H]1COC[C@@H]1N MCULE-7916026303 [0,0,0,1,0,0|1,1,1]=4 1545 B7R1.4 N[C@@H]1COC[C@H]1N MCULE-3234416434 [0,0,0,1,0,0|1,1,1]=4 1546 B7R1.4 N[C@@H]1COC[C@H]1N MCULE-3421021007 [0,0,0,1,0,0|1,1,1]=4 1547 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,0,0,1,0,0|0,1,0]=2 1548 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,0,0,1,0,0|0,1,0]=2 1549 B7R1.4 N[C@@H]1CSC[C@@H]1O MCULE-4507133192 [0,0,0,1,0,0|1,0,2]=4 1550 B7R1.4 N[C@@H]1CSC[C@@H]1O MCULE-9327920188 [0,0,0,1,0,0|1,0,2]=4 1551 B7R1.4 N[C@@H]1CSC[C@H]1O MCULE-5323319055 [0,0,0,1,0,0|1,0,2]=4 1552 B7R1.4 N[C@@H]1CSC[C@H]1O MCULE-8008053411 [0,0,0,1,0,0|1,0,2]=4 1553 B7R1.4 N[C@H]1CCC[C@H]1N MCULE-1361897949 [0,0,0,1,0,0|2,0,1]=4 1554 B7R1.4 N[C@H]1CCC[C@H]1N MCULE-4545374374 [0,0,0,1,0,0|2,0,1]=4 1555 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [0,0,0,1,0,0|1,0,0]=2 1556 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [0,0,0,1,0,0|1,0,0]=2 1557 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [0,0,0,1,0,0|1,0,0]=2 1558 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [0,0,0,1,0,0|1,0,0]=2 1559 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,0,0,1,0,0|2,0,0]=3 1560 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,0,0,1,0,0|2,0,0]=3 1561 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,0,0,1,0,0|2,0,0]=3 1562 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,0,0,1,0,0|2,0,0]=3 1563 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,0,0,1,0,0|2,0,0]=3 1564 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [0,0,0,1,0,0|2,0,0]=3 1565 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [0,0,0,1,0,0|2,0,0]=3 1566 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [0,0,0,1,0,0|2,0,0]=3 1567 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [0,0,0,1,0,0|2,0,0]=3 1568 B7R1.4 N[C@H]1COC[C@@H]1N MCULE-4495433095 [0,0,0,1,0,0|1,1,1]=4 1569 B7R1.4 N[C@H]1COC[C@@H]1N MCULE-6217406845 [0,0,0,1,0,0|1,1,1]=4 1570 B7R1.4 N[C@H]1COC[C@@H]1N MCULE-9762071646 [0,0,0,1,0,0|1,1,1]=4 1571 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,0,0,1,0,0|0,1,0]=2 1572 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,0,0,1,0,0|0,1,0]=2 1573 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [0,0,0,1,0,0|3,0,0]=4 1574 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [0,0,0,1,0,0|3,0,0]=4 1575 B7R1.4 O=C1CCCC1F MCULE-8001765295 [0,0,0,1,0,0|3,0,0]=4 1576 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,0,0,1,0,0|3,0,0]=4 1577 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,0,0,1,0,0|2,0,1]=4 1578 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [0,0,0,1,0,0|2,0,0]=3 1579 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [0,0,0,1,0,0|2,0,0]=3 1580 B7R1.4 O=C1NCCC1F MCULE-2209899044 [0,0,0,1,0,0|2,0,0]=3 1581 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,0,0,1,0,0|2,0,0]=3 1582 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,0,0,1,0,0|2,0,0]=3 1583 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,0,0,1,0,0|2,0,0]=3 1584 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,0,0,1,0,0|2,0,0]=3 1585 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,0,0,1,0,0|2,0,0]=3 1586 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,0,0,1,0,0|2,0,0]=3 1587 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,0,0,1,0,0|3,0,0]=4 1588 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,0,0,1,0,0|3,0,0]=4 1589 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,0,0,1,0,0|3,0,0]=4 1590 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,0,0,1,0,0|3,0,0]=4 1591 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,0,0,1,0,0|3,0,0]=4 1592 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,0,0,1,0,0|3,0,0]=4 1593 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,0,0,1,0,0|3,0,0]=4 1594 B7R1.4 [C@@H]1(COC[C@@H]1N)N MCULE-4324328112 [0,0,0,1,0,0|1,1,1]=4 1595 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,0,0,1,0,0|2,0,1]=4 1596 B7R1.8 CCC1CCC1=O MCULE-5109615435 [0,0,0,1,0,0|3,0,0]=4 1597 B7R1.8 O=C1CCC1CO MCULE-5501600764 [0,0,0,1,0,0|2,1,0]=4 1598 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [0,0,0,1,0,0|2,1,0]=4 1599 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [0,0,0,1,0,0|3,0,0]=4 1600 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [0,0,0,1,0,0|3,0,0]=4 1601 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [0,0,0,1,0,0|3,0,0]=4 1602 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [0,0,0,1,0,0|2,0,0]=3 1603 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,0,0,1,0,0|3,0,0]=4 1604 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [0,0,0,1,0,0|2,0,0]=3 1605 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,0,0,1,0,0|3,0,0]=4 1606 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,0,0,1,0,0|3,0,0]=4 1607 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,0,0,1,0,0|3,0,0]=4 1608 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,0,0,1,0,0|3,0,0]=4 1609 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,0,0,1,0,0|3,0,0]=4 1610 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,0,0,1,0,0|3,0,0]=4 1611 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,0,0,1,0,0|3,0,0]=4 1612 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,0,0,1,0,0|3,0,0]=4 1613 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,0,0,1,0,0|3,0,0]=4 1614 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,0,0,1,0,0|2,0,0]=3 1615 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [0,0,0,1,0,0|2,0,0]=3 1616 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,0,0,1,0,0|3,0,0]=4 1617 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,0,0,1,0,0|3,0,0]=4 1618 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,0,0,1,0,0|3,0,0]=4 1619 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,0,0,1,0,0|3,0,0]=4 1620 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,0,0,1,0,0|3,0,0]=4 1621 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,0,0,1,0,0|3,0,0]=4 1622 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,0,0,1,0,0|3,0,0]=4 1623 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,0,0,1,0,0|3,0,0]=4 1624 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,0,0,1,0,0|3,0,0]=4 1625 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,0,0,1,0,0|3,0,0]=4 1626 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,0,0,1,0,0|3,0,0]=4 1627 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,0,0,1,0,0|3,0,0]=4 1628 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,0,0,1,0,0|3,0,0]=4 1629 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,0,0,1,0,0|3,0,0]=4 1630 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,0,0,1,0,0|3,0,0]=4 1631 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,0,0,1,0,0|3,0,0]=4 1632 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,0,0,1,0,0|3,0,0]=4 1633 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,0,0,1,0,0|3,0,0]=4 1634 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,0,0,1,0,0|3,0,0]=4 1635 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,0,0,1,0,0|3,0,0]=4 1636 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,0,0,1,0,0|3,0,0]=4 1637 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,0,0,1,0,0|3,0,0]=4 1638 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,0,0,1,0,0|3,0,0]=4 1639 B7R1.15 CC1CC(=O)C1C MCULE-1068922218 [0,0,0,1,0,0|3,0,0]=4 1640 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2032555036 [0,0,0,1,0,0|1,0,0]=2 1641 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2738127555 [0,0,0,1,0,0|1,0,0]=2 1642 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-5044901082 [0,0,0,1,0,0|1,0,0]=2 1643 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-7632990759 [0,0,0,1,0,0|1,0,0]=2 1644 B7R1.17 CC1(SCC1N)C MCULE-2967285527 [0,0,0,1,0,0|2,0,1]=4 1645 B7R1.17 CC1(SCC1N)C MCULE-3093982180 [0,0,0,1,0,0|2,0,1]=4 1646 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,0,0,1,0,0|2,0,0]=3 1647 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [0,0,0,1,0,0|3,0,0]=4 1648 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [0,0,0,1,0,0|3,0,0]=4 1649 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [0,0,0,1,0,0|3,0,0]=4 1650 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [0,0,0,1,0,0|3,0,0]=4 1651 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [0,0,0,1,0,0|2,1,0]=4 1652 B7R1.18 CC(N)C1CSC1 MCULE-5095506053 [0,0,0,1,0,0|2,0,1]=4 1653 B7R1.18 N=C(N)C1CCC1 MCULE-3470535674 [0,0,0,1,0,0|3,0,0]=4 1654 B7R1.18 N=C(N)C1CCC1 MCULE-4802517706 [0,0,0,1,0,0|3,0,0]=4 1655 B7R1.18 N=C(N)C1CCC1 MCULE-5858986439 [0,0,0,1,0,0|3,0,0]=4 1656 B7R1.18 N=C(N)C1CSC1 MCULE-6979629096 [0,0,0,1,0,0|2,0,0]=3 1657 B7R1.18 N=C(N)C1CSC1 MCULE-8561937098 [0,0,0,1,0,0|2,0,0]=3 1658 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [0,0,0,1,0,0|2,0,0]=3 1659 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,0,0,1,0,0|1,0,0]=2 1660 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,0,0,1,0,0|1,0,0]=2 1661 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [0,0,0,1,0,0|2,0,0]=3 1662 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [0,0,0,1,0,0|2,0,0]=3 1663 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [0,0,0,1,0,0|2,0,0]=3 1664 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [0,0,0,1,0,0|1,1,0]=3 1665 B7R1.18 NC(=O)N1CCC1 MCULE-1594728830 [0,0,0,1,0,0|3,0,0]=4 1666 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,0,0,1,0,0|1,0,0]=2 1667 B7R1.18 NC(=S)C1CCC1 MCULE-9753547991 [0,0,0,1,0,0|2,1,0]=4 1668 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [0,0,0,1,0,0|3,0,0]=4 1669 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [0,0,0,1,0,0|3,0,0]=4 1670 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,0,0,1,0,0|2,0,0]=3 1671 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,0,0,1,0,0|2,0,0]=3 1672 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,0,0,1,0,0|2,0,0]=3 1673 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,0,0,1,0,0|3,0,0]=4 1674 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,0,0,1,0,0|3,0,0]=4 1675 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [0,0,0,1,0,0|3,0,0]=4 1676 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [0,0,0,1,0,0|3,0,0]=4 1677 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,0,0,1,0,0|2,1,0]=4 1678 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [0,0,0,1,0,0|2,0,0]=3 1679 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,0,0,1,0,0|2,0,0]=3 1680 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,0,0,1,0,0|2,0,0]=3 1681 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,0,0,1,0,0|2,0,0]=3 1682 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,0,0,1,0,0|2,0,0]=3 1683 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,0,0,1,0,0|3,0,0]=4 1684 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,0,0,1,0,0|3,0,0]=4 1685 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,0,0,1,0,0|2,0,0]=3 1686 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,0,0,1,0,0|2,0,0]=3 1687 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,0,0,1,0,0|2,0,0]=3 1688 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,0,0,1,0,0|2,0,0]=3 1689 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,0,0,1,0,0|3,0,0]=4 1690 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,0,0,1,0,0|3,0,0]=4 1691 B7R1.19 CC(=O)C1(CC1)Br MCULE-6185731473 [0,0,0,1,0,0|3,0,0]=4 1692 B7R1.19 CC(=O)C1(CC1)C MCULE-8745387740 [0,0,0,1,0,0|3,0,0]=4 1693 B7R1.19 CC(=O)C1(CC1)Cl MCULE-5975776904 [0,0,0,1,0,0|3,0,0]=4 1694 B7R1.19 CC(=O)C1(CC1)F MCULE-5848997919 [0,0,0,1,0,0|3,0,0]=4 1695 B7R1.19 CC(=O)C1(CC1)N MCULE-2138315633 [0,0,0,1,0,0|2,0,0]=3 1696 B7R1.19 CC(=O)C1(CC1)N MCULE-4094057841 [0,0,0,1,0,0|2,0,0]=3 1697 B7R1.19 CC(=O)C1(CO1)C MCULE-3263824467 [0,0,0,1,0,0|2,1,0]=4 1698 B7R1.19 CC1(CC1)C(=N)N MCULE-1351695314 [0,0,0,1,0,0|3,0,0]=4 1699 B7R1.19 CC1(CC1)C(=N)N MCULE-5893769308 [0,0,0,1,0,0|3,0,0]=4 1700 B7R1.19 CC1(CC1)C(=O)Cl MCULE-6881294103 [0,0,0,1,0,0|3,0,0]=4 1701 B7R1.19 CC1(CC1)C(=O)N MCULE-7674282751 [0,0,0,1,0,0|2,0,0]=3 1702 B7R1.19 CC1(CC1)C(=O)O MCULE-6220717648 [0,0,0,1,0,0|3,0,0]=4 1703 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,0,0,1,0,0|2,1,0]=4 1704 B7R1.19 CC1(CS1)C(=O)N MCULE-5046393193 [0,0,0,1,0,0|1,0,0]=2 1705 B7R1.19 NC(=O)C1(CC1)Br MCULE-5824122510 [0,0,0,1,0,0|2,0,0]=3 1706 B7R1.19 NC(=O)C1(CC1)N MCULE-3982594366 [0,0,0,1,0,0|1,0,0]=2 1707 B7R1.19 NC(=O)C1(CC1)N MCULE-7935338610 [0,0,0,1,0,0|1,0,0]=2 1708 B7R1.19 NC(=O)C1(CC1)O MCULE-6542611632 [0,0,0,1,0,0|2,0,0]=3 1709 B7R1.19 NC1(CC1)C(=O)Cl MCULE-1901749245 [0,0,0,1,0,0|2,0,0]=3 1710 B7R1.19 NC1(CC1)C(=O)Cl MCULE-4354269723 [0,0,0,1,0,0|2,0,0]=3 1711 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [0,0,0,1,0,0|2,0,0]=3 1712 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [0,0,0,1,0,0|2,0,0]=3 1713 B7R1.19 O=C(O)C1(CC1)Br MCULE-9862099846 [0,0,0,1,0,0|3,0,0]=4 1714 B7R1.19 O=C(O)C1(CC1)Cl MCULE-9183003328 [0,0,0,1,0,0|3,0,0]=4 1715 B7R1.19 O=C(O)C1(CC1)F MCULE-1230430743 [0,0,0,1,0,0|3,0,0]=4 1716 B7R1.19 O=C(O)C1(CC1)I MCULE-7977320561 [0,0,0,1,0,0|3,0,0]=4 1717 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [0,0,0,1,0,0|3,0,0]=4 1718 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,0,0,0,0,1|3,0,0]=4 1719 B7R0.2 C=C(C)CC(N)CO MCULE-9114906744 [0,0,0,0,0,1|2,1,0]=4 1720 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,0,0,0,0,1|2,0,1]=4 1721 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,0,0,0,0,1|2,0,1]=4 1722 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [0,0,0,0,0,1|3,0,0]=4 1723 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [0,0,0,0,0,1|3,0,0]=4 1724 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [0,0,0,0,0,1|2,1,0]=4 1725 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [0,0,0,0,0,1|2,1,0]=4 1726 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [0,0,0,0,0,1|2,1,0]=4 1727 B7R0.2 CC(=O)OC(Br)CBr MCULE-7215936142 [0,0,0,0,0,1|3,0,0]=4 1728 B7R0.2 CC(C#N)NC(=O)N MCULE-6628848826 [0,0,0,0,0,1|2,0,1]=4 1729 B7R0.2 CC(C)CC(N)CS MCULE-8932651812 [0,0,0,0,0,1|2,0,1]=4 1730 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [0,0,0,0,0,1|3,0,0]=4 1731 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [0,0,0,0,0,1|2,0,0]=3 1732 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,0,0,0,0,1|3,0,0]=4 1733 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,0,0,0,0,1|3,0,0]=4 1734 B7R0.2 CCC(C)CC(=N)N MCULE-6434778899 [0,0,0,0,0,1|3,0,0]=4 1735 B7R0.2 CCC(C)CC(=N)N MCULE-7964734356 [0,0,0,0,0,1|3,0,0]=4 1736 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [0,0,0,0,0,1|3,0,0]=4 1737 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [0,0,0,0,0,1|3,0,0]=4 1738 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,0,0,0,0,1|3,0,0]=4 1739 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,0,0,0,0,1|3,0,0]=4 1740 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,0,0,0,0,1|2,0,0]=3 1741 B7R0.2 CCC(C)NC(=S)N MCULE-8856391382 [0,0,0,0,0,1|2,1,0]=4 1742 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,0,0,0,0,1|3,0,0]=4 1743 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [0,0,0,0,0,1|3,0,0]=4 1744 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [0,0,0,0,0,1|3,0,0]=4 1745 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,0,0,0,0,1|2,0,0]=3 1746 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,0,0,0,0,1|2,0,0]=3 1747 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,0,0,0,0,1|3,0,0]=4 1748 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,0,0,0,0,1|3,0,0]=4 1749 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,0,0,0,0,1|3,0,0]=4 1750 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,0,0,0,0,1|3,0,0]=4 1751 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,0,0,0,0,1|2,0,0]=3 1752 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,0,0,0,0,1|2,0,0]=3 1753 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,0,0,0,0,1|2,0,0]=3 1754 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,0,0,0,0,1|2,0,0]=3 1755 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,0,0,0,0,1|3,0,0]=4 1756 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,0,0,0,0,1|3,0,0]=4 1757 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,0,0,0,0,1|2,0,0]=3 1758 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,0,0,0,0,1|2,0,0]=3 1759 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,0,0,0,0,1|2,0,0]=3 1760 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,0,0,0,0,1|2,0,0]=3 1761 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [0,0,0,0,0,1|3,0,0]=4 1762 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [0,0,0,0,0,1|3,0,0]=4 1763 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,0,0,0,0,1|3,0,0]=4 1764 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,0,0,0,0,1|3,0,0]=4 1765 B7R0.2 N#CC(N)CC(=O)N MCULE-6918234601 [0,0,0,0,0,1|1,0,1]=3 1766 B7R0.2 NC(=O)C/C(=N\O)/N MCULE-7090967368 [0,0,0,0,0,1|1,1,1]=4 1767 B7R0.2 NC(=O)NC(=O)CBr MCULE-4561848957 [0,0,0,0,0,1|2,0,1]=4 1768 B7R0.2 NC(=O)NC(=O)CCl MCULE-6047100495 [0,0,0,0,0,1|2,0,1]=4 1769 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,0,0,0,0,1|1,1,0]=3 1770 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,0,0,0,0,1|1,1,0]=3 1771 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,0,0,0,0,1|1,1,0]=3 1772 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,0,0,0,0,1|2,0,0]=3 1773 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,0,0,0,0,1|2,0,0]=3 1774 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,0,0,0,0,1|3,0,0]=4 1775 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,0,0,0,0,1|2,0,0]=3 1776 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,0,0,0,0,1|2,0,0]=3 1777 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,0,0,0,0,1|3,0,0]=4 1778 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,0,0,0,0,1|3,0,0]=4 1779 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,0,0,0,0,1|2,0,0]=3 1780 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,0,0,0,0,1|2,0,0]=3 1781 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,0,0,0,0,1|3,0,0]=4 1782 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,0,0,0,0,1|3,0,0]=4 1783 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,0,0,0,0,1|1,1,0]=3 1784 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,0,0,0,0,1|1,1,0]=3 1785 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,0,0,0,0,1|1,1,0]=3 1786 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,0,0,0,0,1|1,1,0]=3 1787 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,0,0,0,0,1|2,1,0]=4 1788 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,0,0,0,0,1|2,1,0]=4 1789 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,0,0,0,0,1|2,1,0]=4 1790 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,0,0,0,0,1|2,1,0]=4 1791 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,0,0,0,0,1|1,1,1]=4 1792 B4R0.1 C#CC(=O)N MCULE-1832868146 [2,0,0,0,0,0|0,0,2]=4 1793 B4R0.1 C#CC(C)N MCULE-5174459541 [2,0,0,0,0,0|1,0,1]=4 1794 B4R0.1 C#CC(C)N MCULE-7552261137 [2,0,0,0,0,0|1,0,1]=4 1795 B4R0.1 C#CC(C)N MCULE-8458008104 [2,0,0,0,0,0|1,0,1]=4 1796 B4R0.1 C#CC(C)N MCULE-8872781976 [2,0,0,0,0,0|1,0,1]=4 1797 B4R0.1 C#C[C@@H](C)N MCULE-1688945745 [2,0,0,0,0,0|1,0,1]=4 1798 B4R0.1 C#C[C@@H](C)N MCULE-2648127023 [2,0,0,0,0,0|1,0,1]=4 1799 B4R0.1 C#C[C@@H](C)N MCULE-4450167680 [2,0,0,0,0,0|1,0,1]=4 1800 B4R0.1 C#C[C@@H](C)N MCULE-5940189329 [2,0,0,0,0,0|1,0,1]=4 1801 B4R0.1 C#C[C@H](C)N MCULE-1256303297 [2,0,0,0,0,0|1,0,1]=4 1802 B4R0.1 C#C[C@H](C)N MCULE-4223264163 [2,0,0,0,0,0|1,0,1]=4 1803 B4R0.1 C#C[C@H](C)N MCULE-9450573338 [2,0,0,0,0,0|1,0,1]=4 1804 B4R0.1 C#C[C@H](C)N MCULE-9795039145 [2,0,0,0,0,0|1,0,1]=4 1805 B4R0.1 C(C)(N)CN MCULE-5877041140 [2,0,0,0,0,0|0,0,1]=3 1806 B4R0.1 C(C)(N)CO MCULE-5844242932 [2,0,0,0,0,0|0,0,2]=4 1807 B4R0.1 C=C(Br)CC MCULE-6271946451 [2,0,0,0,0,0|2,0,0]=4 1808 B4R0.1 C=C(Br)CN MCULE-1170417597 [2,0,0,0,0,0|2,0,0]=4 1809 B4R0.1 C=C(Br)CN MCULE-9190049156 [2,0,0,0,0,0|2,0,0]=4 1810 B4R0.1 C=C(C)C=O MCULE-3758355501 [2,0,0,0,0,0|1,0,1]=4 1811 B4R0.1 C=C(C)CN MCULE-1033495975 [2,0,0,0,0,0|2,0,0]=4 1812 B4R0.1 C=C(C)CN MCULE-8730181300 [2,0,0,0,0,0|2,0,0]=4 1813 B4R0.1 C=C(C)CS MCULE-5174170431 [2,0,0,0,0,0|1,0,1]=4 1814 B4R0.1 C=C(Cl)CN MCULE-2159410121 [2,0,0,0,0,0|2,0,0]=4 1815 B4R0.1 C=C(Cl)CN MCULE-3454023553 [2,0,0,0,0,0|2,0,0]=4 1816 B4R0.1 C=C(F)CN MCULE-1603171858 [2,0,0,0,0,0|2,0,0]=4 1817 B4R0.1 C=C(F)CN MCULE-3878727292 [2,0,0,0,0,0|2,0,0]=4 1818 B4R0.1 C=CC(=O)N MCULE-4309430654 [2,0,0,0,0,0|0,0,2]=4 1819 B4R0.1 C=CC(C)Cl MCULE-1756172983 [2,0,0,0,0,0|2,0,0]=4 1820 B4R0.1 C=CC(C)N MCULE-5748048106 [2,0,0,0,0,0|1,0,0]=3 1821 B4R0.1 C=CC(C)N MCULE-6786590923 [2,0,0,0,0,0|1,0,0]=3 1822 B4R0.1 C=CC(C)O MCULE-4525368256 [2,0,0,0,0,0|2,0,0]=4 1823 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [2,0,0,0,0,0|1,0,0]=3 1824 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [2,0,0,0,0,0|1,0,0]=3 1825 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [2,0,0,0,0,0|1,0,0]=3 1826 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [2,0,0,0,0,0|1,0,0]=3 1827 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [2,0,0,0,0,0|1,0,0]=3 1828 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [2,0,0,0,0,0|1,0,0]=3 1829 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [2,0,0,0,0,0|1,0,0]=3 1830 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [2,0,0,0,0,0|1,0,0]=3 1831 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [2,0,0,0,0,0|2,0,0]=4 1832 B4R0.1 CC(=O)C=O MCULE-2718961814 [2,0,0,0,0,0|1,0,1]=4 1833 B4R0.1 CC(=O)CBr MCULE-7812920675 [2,0,0,0,0,0|2,0,0]=4 1834 B4R0.1 CC(=O)CCl MCULE-2501365933 [2,0,0,0,0,0|2,0,0]=4 1835 B4R0.1 CC(=O)CF MCULE-7417279999 [2,0,0,0,0,0|2,0,0]=4 1836 B4R0.1 CC(=O)CN MCULE-2715277783 [2,0,0,0,0,0|1,0,0]=3 1837 B4R0.1 CC(=O)CN MCULE-6004541862 [2,0,0,0,0,0|1,0,0]=3 1838 B4R0.1 CC(=O)CO MCULE-2989526028 [2,0,0,0,0,0|1,1,0]=4 1839 B4R0.1 CC(=O)CS MCULE-9736174016 [2,0,0,0,0,0|1,0,0]=3 1840 B4R0.1 CC(=O)NN MCULE-9183467120 [2,0,0,0,0,0|2,0,0]=4 1841 B4R0.1 CC(Br)C=O MCULE-6060704330 [2,0,0,0,0,0|1,0,0]=3 1842 B4R0.1 CC(Br)CN MCULE-5214613046 [2,0,0,0,0,0|1,0,1]=4 1843 B4R0.1 CC(Br)CN MCULE-6326218362 [2,0,0,0,0,0|1,0,1]=4 1844 B4R0.1 CC(C)C=O MCULE-3575731904 [2,0,0,0,0,0|1,0,0]=3 1845 B4R0.1 CC(C)CN MCULE-2158650588 [2,0,0,0,0,0|1,0,1]=4 1846 B4R0.1 CC(C)CN MCULE-6751437658 [2,0,0,0,0,0|1,0,1]=4 1847 B4R0.1 CC(C)CN MCULE-8319193456 [2,0,0,0,0,0|1,0,1]=4 1848 B4R0.1 CC(C)CN MCULE-8705657065 [2,0,0,0,0,0|1,0,1]=4 1849 B4R0.1 CC(C)CS MCULE-7978911055 [2,0,0,0,0,0|1,0,1]=4 1850 B4R0.1 CC(C)NN MCULE-4673953224 [2,0,0,0,0,0|2,0,0]=4 1851 B4R0.1 CC(C)NN MCULE-7901160798 [2,0,0,0,0,0|2,0,0]=4 1852 B4R0.1 CC(C)NN MCULE-9473118288 [2,0,0,0,0,0|2,0,0]=4 1853 B4R0.1 CC(C)ON MCULE-4063407094 [2,0,0,0,0,0|2,0,0]=4 1854 B4R0.1 CC(C)ON MCULE-9108231771 [2,0,0,0,0,0|2,0,0]=4 1855 B4R0.1 CC(Cl)CN MCULE-2637316379 [2,0,0,0,0,0|1,0,1]=4 1856 B4R0.1 CC(Cl)CN MCULE-5591419030 [2,0,0,0,0,0|1,0,1]=4 1857 B4R0.1 CC(F)CN MCULE-6584490651 [2,0,0,0,0,0|1,0,1]=4 1858 B4R0.1 CC(F)CN MCULE-9499916116 [2,0,0,0,0,0|1,0,1]=4 1859 B4R0.1 CC(N)C#N MCULE-4008524363 [2,0,0,0,0,0|0,0,2]=4 1860 B4R0.1 CC(N)C#N MCULE-8654767875 [2,0,0,0,0,0|0,0,2]=4 1861 B4R0.1 CC(N)C=O MCULE-3421118418 [2,0,0,0,0,0|0,0,0]=2 1862 B4R0.1 CC(N)CBr MCULE-1783493149 [2,0,0,0,0,0|1,0,1]=4 1863 B4R0.1 CC(N)CBr MCULE-2775398297 [2,0,0,0,0,0|1,0,1]=4 1864 B4R0.1 CC(N)CCl MCULE-8652434595 [2,0,0,0,0,0|1,0,1]=4 1865 B4R0.1 CC(N)CCl MCULE-9580466630 [2,0,0,0,0,0|1,0,1]=4 1866 B4R0.1 CC(N)CF MCULE-1603143200 [2,0,0,0,0,0|1,0,1]=4 1867 B4R0.1 CC(N)CF MCULE-3787216870 [2,0,0,0,0,0|1,0,1]=4 1868 B4R0.1 CC(N)CF MCULE-4138869746 [2,0,0,0,0,0|1,0,1]=4 1869 B4R0.1 CC(N)CF MCULE-8611760275 [2,0,0,0,0,0|1,0,1]=4 1870 B4R0.1 CC(N)CN MCULE-2119036110 [2,0,0,0,0,0|0,0,1]=3 1871 B4R0.1 CC(N)CN MCULE-6286216576 [2,0,0,0,0,0|0,0,1]=3 1872 B4R0.1 CC(N)CN MCULE-9919433465 [2,0,0,0,0,0|0,0,1]=3 1873 B4R0.1 CC(N)CO MCULE-1361379423 [2,0,0,0,0,0|0,0,2]=4 1874 B4R0.1 CC(N)CO MCULE-2098440985 [2,0,0,0,0,0|0,0,2]=4 1875 B4R0.1 CC(N)CS MCULE-1396853557 [2,0,0,0,0,0|0,0,1]=3 1876 B4R0.1 CC(N)CS MCULE-4094732666 [2,0,0,0,0,0|0,0,1]=3 1877 B4R0.1 CC(O)CN MCULE-4370440652 [2,0,0,0,0,0|1,0,1]=4 1878 B4R0.1 CC(O)CN MCULE-5694317743 [2,0,0,0,0,0|1,0,1]=4 1879 B4R0.1 CC(O)CN MCULE-6406041538 [2,0,0,0,0,0|1,0,1]=4 1880 B4R0.1 CC(O)CN MCULE-6636652305 [2,0,0,0,0,0|1,0,1]=4 1881 B4R0.1 CC(O)CS MCULE-7881083356 [2,0,0,0,0,0|1,0,1]=4 1882 B4R0.1 CC(S)CN MCULE-1957568322 [2,0,0,0,0,0|1,0,1]=4 1883 B4R0.1 CC(S)CN MCULE-7469442412 [2,0,0,0,0,0|1,0,1]=4 1884 B4R0.1 CC(S)CS MCULE-9264694858 [2,0,0,0,0,0|1,0,1]=4 1885 B4R0.1 CCC(=N)N MCULE-1856575742 [2,0,0,0,0,0|1,0,0]=3 1886 B4R0.1 CCC(=N)N MCULE-2534386807 [2,0,0,0,0,0|1,0,0]=3 1887 B4R0.1 CCC(=O)Br MCULE-7870678619 [2,0,0,0,0,0|1,0,0]=3 1888 B4R0.1 CCC(=O)C MCULE-8276670748 [2,0,0,0,0,0|1,0,0]=3 1889 B4R0.1 CCC(=O)Cl MCULE-3081874391 [2,0,0,0,0,0|1,0,0]=3 1890 B4R0.1 CCC(=O)F MCULE-8783887670 [2,0,0,0,0,0|1,0,0]=3 1891 B4R0.1 CCC(=O)N MCULE-3730796130 [2,0,0,0,0,0|0,0,0]=2 1892 B4R0.1 CCC(=O)O MCULE-2199051150 [2,0,0,0,0,0|1,0,0]=3 1893 B4R0.1 CCC(=O)O MCULE-9800054040 [2,0,0,0,0,0|1,0,0]=3 1894 B4R0.1 CCC(=O)S MCULE-3392119766 [2,0,0,0,0,0|1,0,0]=3 1895 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [2,0,0,0,0,0|1,0,0]=3 1896 B4R0.1 CCC(=S)N MCULE-3921479699 [2,0,0,0,0,0|0,1,0]=3 1897 B4R0.1 CCC(C)N MCULE-5041676035 [2,0,0,0,0,0|1,0,1]=4 1898 B4R0.1 CCC(C)N MCULE-5835091553 [2,0,0,0,0,0|1,0,1]=4 1899 B4R0.1 CCC(C)N MCULE-6631606230 [2,0,0,0,0,0|1,0,1]=4 1900 B4R0.1 CCC(C)N MCULE-8165681721 [2,0,0,0,0,0|1,0,1]=4 1901 B4R0.1 CCN(=O)=O MCULE-6603591614 [2,0,0,0,0,0|2,0,0]=4 1902 B4R0.1 CCN(C)N MCULE-2279492356 [2,0,0,0,0,0|2,0,0]=4 1903 B4R0.1 CCN(C)N MCULE-5660338703 [2,0,0,0,0,0|2,0,0]=4 1904 B4R0.1 CCN(C)N MCULE-9839987578 [2,0,0,0,0,0|2,0,0]=4 1905 B4R0.1 CCS(=O)C MCULE-4400935745 [2,0,0,0,0,0|2,0,0]=4 1906 B4R0.1 CCS(=O)O MCULE-9872932319 [2,0,0,0,0,0|2,0,0]=4 1907 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [2,0,0,0,0,0|2,0,0]=4 1908 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [2,0,0,0,0,0|1,0,1]=4 1909 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [2,0,0,0,0,0|1,0,1]=4 1910 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [2,0,0,0,0,0|1,0,1]=4 1911 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [2,0,0,0,0,0|1,0,1]=4 1912 B4R0.1 CC[C@H](C)N MCULE-2450201533 [2,0,0,0,0,0|1,0,1]=4 1913 B4R0.1 CC[C@H](C)N MCULE-2998961427 [2,0,0,0,0,0|1,0,1]=4 1914 B4R0.1 CC[C@H](C)N MCULE-6692190471 [2,0,0,0,0,0|1,0,1]=4 1915 B4R0.1 CC[C@H](C)N MCULE-6904795465 [2,0,0,0,0,0|1,0,1]=4 1916 B4R0.1 CN(C)C=O MCULE-6290117712 [2,0,0,0,0,0|2,0,0]=4 1917 B4R0.1 CN(N)C=O MCULE-6353057165 [2,0,0,0,0,0|1,0,0]=3 1918 B4R0.1 CNC(=N)N MCULE-1074994749 [2,0,0,0,0,0|2,0,0]=4 1919 B4R0.1 CNC(=N)N MCULE-6149731862 [2,0,0,0,0,0|2,0,0]=4 1920 B4R0.1 CNC(=N)N MCULE-7667364021 [2,0,0,0,0,0|2,0,0]=4 1921 B4R0.1 CNC(=N)N MCULE-7854448694 [2,0,0,0,0,0|2,0,0]=4 1922 B4R0.1 CNC(=O)C MCULE-2612997941 [2,0,0,0,0,0|2,0,0]=4 1923 B4R0.1 CNC(=O)Cl MCULE-7743744606 [2,0,0,0,0,0|2,0,0]=4 1924 B4R0.1 CNC(=O)N MCULE-6422331704 [2,0,0,0,0,0|1,0,0]=3 1925 B4R0.1 CNC(=S)N MCULE-7103250725 [2,0,0,0,0,0|1,1,0]=4 1926 B4R0.1 COC(=N)N MCULE-1611076737 [2,0,0,0,0,0|2,0,0]=4 1927 B4R0.1 COC(=N)N MCULE-4923904579 [2,0,0,0,0,0|2,0,0]=4 1928 B4R0.1 COC(=N)N MCULE-6696789855 [2,0,0,0,0,0|2,0,0]=4 1929 B4R0.1 COC(=N)N MCULE-9171600210 [2,0,0,0,0,0|2,0,0]=4 1930 B4R0.1 COC(=O)C MCULE-7368066093 [2,0,0,0,0,0|2,0,0]=4 1931 B4R0.1 COC(=O)Cl MCULE-8022274771 [2,0,0,0,0,0|2,0,0]=4 1932 B4R0.1 COC(=O)N MCULE-4070607369 [2,0,0,0,0,0|1,0,0]=3 1933 B4R0.1 COC(=S)N MCULE-9414558443 [2,0,0,0,0,0|1,1,0]=4 1934 B4R0.1 CSC(=N)N MCULE-1471368384 [2,0,0,0,0,0|2,0,0]=4 1935 B4R0.1 CSC(=N)N MCULE-3394284504 [2,0,0,0,0,0|2,0,0]=4 1936 B4R0.1 CSC(=N)N MCULE-3752198299 [2,0,0,0,0,0|2,0,0]=4 1937 B4R0.1 CSC(=N)N MCULE-5672446896 [2,0,0,0,0,0|2,0,0]=4 1938 B4R0.1 CSC(=N)N MCULE-8409992127 [2,0,0,0,0,0|2,0,0]=4 1939 B4R0.1 CSC(=O)C MCULE-7061634598 [2,0,0,0,0,0|2,0,0]=4 1940 B4R0.1 C[C@@H](N)C#N MCULE-4366493733 [2,0,0,0,0,0|0,0,2]=4 1941 B4R0.1 C[C@@H](N)C#N MCULE-4475438132 [2,0,0,0,0,0|0,0,2]=4 1942 B4R0.1 C[C@@H](N)C#N MCULE-8152568021 [2,0,0,0,0,0|0,0,2]=4 1943 B4R0.1 C[C@@H](N)C#N MCULE-9327848803 [2,0,0,0,0,0|0,0,2]=4 1944 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [2,0,0,0,0,0|1,0,1]=4 1945 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [2,0,0,0,0,0|1,0,1]=4 1946 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [2,0,0,0,0,0|1,0,1]=4 1947 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [2,0,0,0,0,0|1,0,1]=4 1948 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [2,0,0,0,0,0|0,0,1]=3 1949 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [2,0,0,0,0,0|0,0,1]=3 1950 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [2,0,0,0,0,0|0,0,1]=3 1951 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [2,0,0,0,0,0|0,0,1]=3 1952 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [2,0,0,0,0,0|0,0,2]=4 1953 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [2,0,0,0,0,0|0,0,2]=4 1954 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [2,0,0,0,0,0|1,0,0]=3 1955 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [2,0,0,0,0,0|1,0,1]=4 1956 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [2,0,0,0,0,0|1,0,1]=4 1957 B4R0.1 C[C@H](N)C#N MCULE-2449963253 [2,0,0,0,0,0|0,0,2]=4 1958 B4R0.1 C[C@H](N)C#N MCULE-3624286995 [2,0,0,0,0,0|0,0,2]=4 1959 B4R0.1 C[C@H](N)CF MCULE-1053227516 [2,0,0,0,0,0|1,0,1]=4 1960 B4R0.1 C[C@H](N)CF MCULE-4024916343 [2,0,0,0,0,0|1,0,1]=4 1961 B4R0.1 C[C@H](N)CF MCULE-6312285034 [2,0,0,0,0,0|1,0,1]=4 1962 B4R0.1 C[C@H](N)CF MCULE-7630744199 [2,0,0,0,0,0|1,0,1]=4 1963 B4R0.1 C[C@H](N)CN MCULE-2048837128 [2,0,0,0,0,0|0,0,1]=3 1964 B4R0.1 C[C@H](N)CN MCULE-4105152552 [2,0,0,0,0,0|0,0,1]=3 1965 B4R0.1 C[C@H](N)CN MCULE-7106390536 [2,0,0,0,0,0|0,0,1]=3 1966 B4R0.1 C[C@H](N)CN MCULE-9863306005 [2,0,0,0,0,0|0,0,1]=3 1967 B4R0.1 C[C@H](N)CO MCULE-2471107013 [2,0,0,0,0,0|0,0,2]=4 1968 B4R0.1 C[C@H](N)CO MCULE-5424195678 [2,0,0,0,0,0|0,0,2]=4 1969 B4R0.1 C[C@H](O)CN MCULE-3227371869 [2,0,0,0,0,0|1,0,1]=4 1970 B4R0.1 C[C@H](O)CN MCULE-5480489257 [2,0,0,0,0,0|1,0,1]=4 1971 B4R0.1 C[C@H](O)CS MCULE-9061842733 [2,0,0,0,0,0|1,0,1]=4 1972 B4R0.1 N=C(N)CCl MCULE-1495198330 [2,0,0,0,0,0|2,0,0]=4 1973 B4R0.1 N=C(N)CCl MCULE-2087468158 [2,0,0,0,0,0|2,0,0]=4 1974 B4R0.1 N=C(N)CF MCULE-4489534021 [2,0,0,0,0,0|2,0,0]=4 1975 B4R0.1 N=C(N)CF MCULE-8858704396 [2,0,0,0,0,0|2,0,0]=4 1976 B4R0.1 N=C(N)CN MCULE-2761790792 [2,0,0,0,0,0|1,0,0]=3 1977 B4R0.1 N=C(N)CN MCULE-5131841850 [2,0,0,0,0,0|1,0,0]=3 1978 B4R0.1 N=C(N)CN MCULE-6618111844 [2,0,0,0,0,0|1,0,0]=3 1979 B4R0.1 N=C(N)CO MCULE-5146395919 [2,0,0,0,0,0|1,1,0]=4 1980 B4R0.1 N=C(N)CO MCULE-8814507460 [2,0,0,0,0,0|1,1,0]=4 1981 B4R0.1 N=C(N)NN MCULE-1109353559 [2,0,0,0,0,0|2,0,0]=4 1982 B4R0.1 N=C(N)NN MCULE-3637328913 [2,0,0,0,0,0|2,0,0]=4 1983 B4R0.1 N=C(N)NN MCULE-4551185793 [2,0,0,0,0,0|2,0,0]=4 1984 B4R0.1 N=C(N)NN MCULE-8251830457 [2,0,0,0,0,0|2,0,0]=4 1985 B4R0.1 NC(=O)CBr MCULE-9306090536 [2,0,0,0,0,0|1,0,0]=3 1986 B4R0.1 NC(=O)CCl MCULE-3241549842 [2,0,0,0,0,0|1,0,0]=3 1987 B4R0.1 NC(=O)CF MCULE-3344212657 [2,0,0,0,0,0|1,0,0]=3 1988 B4R0.1 NC(=O)CI MCULE-4217973413 [2,0,0,0,0,0|1,0,0]=3 1989 B4R0.1 NC(=O)CO MCULE-2739878376 [2,0,0,0,0,0|0,1,0]=3 1990 B4R0.1 NC(=O)CS MCULE-2639305532 [2,0,0,0,0,0|0,0,0]=2 1991 B4R0.1 NC(=O)NO MCULE-9465284053 [2,0,0,0,0,0|1,1,0]=4 1992 B4R0.1 NC(=S)CF MCULE-7873791134 [2,0,0,0,0,0|1,1,0]=4 1993 B4R0.1 NC(=S)CO MCULE-9301705313 [2,0,0,0,0,0|0,2,0]=4 1994 B4R0.1 NCC(=O)N MCULE-1048848056 [2,0,0,0,0,0|0,0,0]=2 1995 B4R0.1 NCC(=O)N MCULE-2174395809 [2,0,0,0,0,0|0,0,0]=2 1996 B4R0.1 NCC(=O)N MCULE-6113166250 [2,0,0,0,0,0|0,0,0]=2 1997 B4R0.1 NCC(=O)O MCULE-2415764032 [2,0,0,0,0,0|1,0,0]=3 1998 B4R0.1 NCC(=O)O MCULE-3643110755 [2,0,0,0,0,0|1,0,0]=3 1999 B4R0.1 NCC(=O)O MCULE-4349255299 [2,0,0,0,0,0|1,0,0]=3 2000 B4R0.1 NCC(=O)O MCULE-9146223615 [2,0,0,0,0,0|1,0,0]=3 2001 B4R0.1 NCC(=O)O MCULE-9701991737 [2,0,0,0,0,0|1,0,0]=3 2002 B4R0.1 NCC(=O)S MCULE-9837799864 [2,0,0,0,0,0|1,0,0]=3 2003 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [2,0,0,0,0,0|1,0,0]=3 2004 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [2,0,0,0,0,0|2,0,0]=4 2005 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [2,0,0,0,0,0|2,0,0]=4 2006 B4R0.1 NN=C(N)N MCULE-4671721847 [2,0,0,0,0,0|2,0,0]=4 2007 B4R0.1 NNC(=O)N MCULE-3392559370 [2,0,0,0,0,0|1,0,0]=3 2008 B4R0.1 NNC(=O)N MCULE-8490374775 [2,0,0,0,0,0|1,0,0]=3 2009 B4R0.1 NNC(=S)N MCULE-2970024636 [2,0,0,0,0,0|1,1,0]=4 2010 B4R0.1 NNC(=S)N MCULE-6378380063 [2,0,0,0,0,0|1,1,0]=4 2011 B4R0.1 O=C(Br)CBr MCULE-6031858200 [2,0,0,0,0,0|2,0,0]=4 2012 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [2,0,0,0,0,0|2,0,0]=4 2013 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [2,0,0,0,0,0|2,0,0]=4 2014 B4R0.1 O=C(Cl)CF MCULE-7182087882 [2,0,0,0,0,0|2,0,0]=4 2015 B4R0.1 O=C(Cl)CI MCULE-5719121455 [2,0,0,0,0,0|2,0,0]=4 2016 B4R0.1 O=C(O)CBr MCULE-1503716137 [2,0,0,0,0,0|2,0,0]=4 2017 B4R0.1 O=C(O)CCl MCULE-9228754880 [2,0,0,0,0,0|2,0,0]=4 2018 B4R0.1 O=C(O)CF MCULE-6584094437 [2,0,0,0,0,0|2,0,0]=4 2019 B4R0.1 O=C(O)CI MCULE-3146792857 [2,0,0,0,0,0|2,0,0]=4 2020 B4R0.1 O=C(O)CO MCULE-9792551388 [2,0,0,0,0,0|1,1,0]=4 2021 B4R0.1 O=C(O)CS MCULE-8097997001 [2,0,0,0,0,0|1,0,0]=3 2022 B4R0.1 O=C([O-])CF MCULE-8428965857 [2,0,0,0,0,0|2,0,0]=4 2023 B4R0.1 O=C([O-])CO MCULE-2780567509 [2,0,0,0,0,0|1,1,0]=4 2024 B4R0.1 O=C([O-])CS MCULE-3314809220 [2,0,0,0,0,0|1,0,0]=3 2025 B4R0.1 O=C([O-])CS MCULE-5989133747 [2,0,0,0,0,0|1,0,0]=3 2026 B4R0.1 O=CC(Cl)Cl MCULE-7925858204 [2,0,0,0,0,0|2,0,0]=4 2027 B4R0.1 P(=O)(O)CN MCULE-5441171864 [2,0,0,0,0,0|2,0,0]=4 2028 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [2,0,0,0,0,0|1,0,1]=4 2029 B4R0.2 C=CCCBr MCULE-2890129103 [2,0,0,0,0,0|2,0,0]=4 2030 B4R0.2 C=CCCC MCULE-8386546337 [2,0,0,0,0,0|2,0,0]=4 2031 B4R0.2 C=CCCCl MCULE-5903789900 [2,0,0,0,0,0|2,0,0]=4 2032 B4R0.2 C=CCCI MCULE-1055671394 [2,0,0,0,0,0|2,0,0]=4 2033 B4R0.2 C=CCCN MCULE-2471716627 [2,0,0,0,0,0|2,0,0]=4 2034 B4R0.2 C=CCCN MCULE-2881108697 [2,0,0,0,0,0|2,0,0]=4 2035 B4R0.2 C=CCCO MCULE-4582400839 [2,0,0,0,0,0|1,1,0]=4 2036 B4R0.2 CCCC=O MCULE-8530391347 [2,0,0,0,0,0|1,0,0]=3 2037 B4R0.2 CCCCN MCULE-1731874934 [2,0,0,0,0,0|1,0,1]=4 2038 B4R0.2 CCCCN MCULE-4233278050 [2,0,0,0,0,0|1,0,1]=4 2039 B4R0.2 CCCCN MCULE-5242069370 [2,0,0,0,0,0|1,0,1]=4 2040 B4R0.2 CCCCN MCULE-7343835253 [2,0,0,0,0,0|1,0,1]=4 2041 B4R0.2 CCCCS MCULE-9441213933 [2,0,0,0,0,0|1,0,1]=4 2042 B4R0.2 CCCNN MCULE-4121438775 [2,0,0,0,0,0|2,0,0]=4 2043 B4R0.2 CCCNN MCULE-5875592228 [2,0,0,0,0,0|2,0,0]=4 2044 B4R0.2 CCCNN MCULE-9585694661 [2,0,0,0,0,0|2,0,0]=4 2045 B4R0.2 CCCON MCULE-4800172637 [2,0,0,0,0,0|2,0,0]=4 2046 B4R0.2 CCCON MCULE-7988781002 [2,0,0,0,0,0|2,0,0]=4 2047 B4R0.2 CCNC=O MCULE-9309926274 [2,0,0,0,0,0|2,0,0]=4 2048 B4R0.2 CCOC=O MCULE-6245072161 [2,0,0,0,0,0|2,0,0]=4 2049 B4R0.2 CNCCS MCULE-6430516369 [2,0,0,0,0,0|2,0,0]=4 2050 B4R0.2 COCC=O MCULE-9427361019 [2,0,0,0,0,0|2,0,0]=4 2051 B4R0.2 COCCS MCULE-7803276094 [2,0,0,0,0,0|2,0,0]=4 2052 B4R0.2 N#CCCS MCULE-7199964466 [2,0,0,0,0,0|0,0,2]=4 2053 B4R0.2 NCCCBr MCULE-5485748003 [2,0,0,0,0,0|1,0,1]=4 2054 B4R0.2 NCCCBr MCULE-7072709972 [2,0,0,0,0,0|1,0,1]=4 2055 B4R0.2 NCCCCl MCULE-1324157004 [2,0,0,0,0,0|1,0,1]=4 2056 B4R0.2 NCCCCl MCULE-3667248190 [2,0,0,0,0,0|1,0,1]=4 2057 B4R0.2 NCCCF MCULE-5215746973 [2,0,0,0,0,0|1,0,1]=4 2058 B4R0.2 NCCCF MCULE-8077133369 [2,0,0,0,0,0|1,0,1]=4 2059 B4R0.2 NCCCI MCULE-3534892097 [2,0,0,0,0,0|1,0,1]=4 2060 B4R0.2 NCCCI MCULE-8010453546 [2,0,0,0,0,0|1,0,1]=4 2061 B4R0.2 NCCCN MCULE-4293255820 [2,0,0,0,0,0|1,0,1]=4 2062 B4R0.2 NCCCN MCULE-5041378433 [2,0,0,0,0,0|1,0,1]=4 2063 B4R0.2 NCCCN MCULE-6944452060 [2,0,0,0,0,0|1,0,1]=4 2064 B4R0.2 NCCCN MCULE-7375662153 [2,0,0,0,0,0|1,0,1]=4 2065 B4R0.2 NCCCN MCULE-8277465929 [2,0,0,0,0,0|1,0,1]=4 2066 B4R0.2 NCCCN MCULE-9929373126 [2,0,0,0,0,0|1,0,1]=4 2067 B4R0.2 NCCCO MCULE-2851278356 [2,0,0,0,0,0|0,1,1]=4 2068 B4R0.2 NCCCO MCULE-9698089092 [2,0,0,0,0,0|0,1,1]=4 2069 B4R0.2 NCCCS MCULE-3994478020 [2,0,0,0,0,0|0,0,1]=3 2070 B4R0.2 NCCCS MCULE-7730973866 [2,0,0,0,0,0|0,0,1]=3 2071 B4R0.2 NCCON MCULE-3613980902 [2,0,0,0,0,0|2,0,0]=4 2072 B4R0.2 NCCON MCULE-7030217952 [2,0,0,0,0,0|2,0,0]=4 2073 B4R0.2 NCCON MCULE-8959912781 [2,0,0,0,0,0|2,0,0]=4 2074 B4R0.2 NNCCF MCULE-2712460031 [2,0,0,0,0,0|2,0,0]=4 2075 B4R0.2 NNCCF MCULE-8505927457 [2,0,0,0,0,0|2,0,0]=4 2076 B4R0.2 NNCCO MCULE-1290652744 [2,0,0,0,0,0|1,1,0]=4 2077 B4R0.2 NOCCBr MCULE-2796346082 [2,0,0,0,0,0|2,0,0]=4 2078 B4R0.2 NOCCBr MCULE-5636354898 [2,0,0,0,0,0|2,0,0]=4 2079 B4R0.2 NOCCCl MCULE-5981688956 [2,0,0,0,0,0|2,0,0]=4 2080 B4R0.2 NOCCF MCULE-1813481600 [2,0,0,0,0,0|2,0,0]=4 2081 B4R0.2 NOCCF MCULE-2993254805 [2,0,0,0,0,0|2,0,0]=4 2082 B4R0.2 NOCCO MCULE-2545004367 [2,0,0,0,0,0|1,1,0]=4 2083 B4R0.2 O=CCCBr MCULE-4107157458 [2,0,0,0,0,0|1,0,0]=3 2084 B4R0.2 O=CCCCl MCULE-5863929313 [2,0,0,0,0,0|1,0,0]=3 2085 B4R0.2 O=CCCI MCULE-9771140462 [2,0,0,0,0,0|1,0,0]=3 2086 B4R0.2 O=CCCO MCULE-1685289763 [2,0,0,0,0,0|0,1,0]=3 2087 B4R0.2 OCCCS MCULE-7930164048 [2,0,0,0,0,0|0,0,2]=4 2088 B4R0.2 SCCCBr MCULE-4627341228 [2,0,0,0,0,0|1,0,1]=4 2089 B4R0.2 SCCCCl MCULE-6410389127 [2,0,0,0,0,0|1,0,1]=4 2090 B4R0.2 SCCCS MCULE-8220630729 [2,0,0,0,0,0|0,1,1]=4 2091 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [1,1,0,0,0,0|2,0,0]=4 2092 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [1,1,0,0,0,0|2,0,0]=4 2093 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [1,1,0,0,0,0|1,0,1]=4 2094 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [1,1,0,0,0,0|1,0,1]=4 2095 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [1,1,0,0,0,0|1,0,1]=4 2096 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [1,1,0,0,0,0|1,0,1]=4 2097 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [1,1,0,0,0,0|1,0,1]=4 2098 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [1,1,0,0,0,0|2,0,0]=4 2099 B6R0.1 CCCC(=O)CC MCULE-7121523805 [1,1,0,0,0,0|2,0,0]=4 2100 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [1,1,0,0,0,0|2,0,0]=4 2101 B6R0.1 CCCC(=O)CN MCULE-4663263123 [1,1,0,0,0,0|1,0,0]=3 2102 B6R0.1 CCCC(=O)CN MCULE-6326368932 [1,1,0,0,0,0|1,0,0]=3 2103 B6R0.1 CCCC(=O)CO MCULE-6518249412 [1,1,0,0,0,0|2,0,0]=4 2104 B6R0.1 CCCC(=O)NC MCULE-5770149071 [1,1,0,0,0,0|1,0,0]=3 2105 B6R0.1 CCCC(=O)NN MCULE-3660167295 [1,1,0,0,0,0|1,0,0]=3 2106 B6R0.1 CCCC(=O)NO MCULE-8710375368 [1,1,0,0,0,0|1,0,0]=3 2107 B6R0.1 CCCC(=O)OC MCULE-1092030267 [1,1,0,0,0,0|2,0,0]=4 2108 B6R0.1 CCCC(=O)SC MCULE-1490654381 [1,1,0,0,0,0|2,0,0]=4 2109 B6R0.1 CCNC(=O)CN MCULE-1913543460 [1,1,0,0,0,0|2,0,0]=4 2110 B6R0.1 CCNC(=O)CN MCULE-5473845751 [1,1,0,0,0,0|2,0,0]=4 2111 B6R0.1 CCNC(=O)NC MCULE-7197803115 [1,1,0,0,0,0|2,0,0]=4 2112 B6R0.1 CCNC(=O)NN MCULE-9055200574 [1,1,0,0,0,0|2,0,0]=4 2113 B6R0.1 CCNC(=O)NO MCULE-3264850022 [1,1,0,0,0,0|2,0,0]=4 2114 B6R0.1 CCOC(=O)CN MCULE-2185173056 [1,1,0,0,0,0|2,0,0]=4 2115 B6R0.1 CCOC(=O)CN MCULE-2628607025 [1,1,0,0,0,0|2,0,0]=4 2116 B6R0.1 CCOC(=O)NC MCULE-5506841198 [1,1,0,0,0,0|2,0,0]=4 2117 B6R0.1 CCOC(=O)NN MCULE-9872948119 [1,1,0,0,0,0|2,0,0]=4 2118 B6R0.1 CCOC(=O)NO MCULE-4701193610 [1,1,0,0,0,0|2,0,0]=4 2119 B6R0.1 CNC(=O)CC#N MCULE-2970000161 [1,1,0,0,0,0|1,0,1]=4 2120 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [1,1,0,0,0,0|1,0,0]=3 2121 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [1,1,0,0,0,0|1,0,0]=3 2122 B6R0.1 CNC(=O)CCN MCULE-1374127264 [1,1,0,0,0,0|1,0,0]=3 2123 B6R0.1 CNC(=O)CCN MCULE-3948893656 [1,1,0,0,0,0|1,0,0]=3 2124 B6R0.1 CNC(=O)CCO MCULE-3222339741 [1,1,0,0,0,0|0,1,0]=3 2125 B6R0.1 CNC(=O)CCS MCULE-2385806944 [1,1,0,0,0,0|0,0,0]=2 2126 B6R0.1 CNC(=O)CON MCULE-6451598359 [1,1,0,0,0,0|2,0,0]=4 2127 B6R0.1 CNC(=O)CON MCULE-8743298594 [1,1,0,0,0,0|2,0,0]=4 2128 B6R0.1 CNCC(=O)NC MCULE-4579550577 [1,1,0,0,0,0|2,0,0]=4 2129 B6R0.1 CNCC(=O)NC MCULE-7833395637 [1,1,0,0,0,0|2,0,0]=4 2130 B6R0.1 CNCC(=O)NN MCULE-8639164023 [1,1,0,0,0,0|2,0,0]=4 2131 B6R0.1 COC(=O)CCBr MCULE-3565567444 [1,1,0,0,0,0|2,0,0]=4 2132 B6R0.1 COC(=O)CCCl MCULE-5034007224 [1,1,0,0,0,0|2,0,0]=4 2133 B6R0.1 COC(=O)CCI MCULE-5984806612 [1,1,0,0,0,0|2,0,0]=4 2134 B6R0.1 COC(=O)CCN MCULE-2306060188 [1,1,0,0,0,0|2,0,0]=4 2135 B6R0.1 COC(=O)CCN MCULE-8245275833 [1,1,0,0,0,0|2,0,0]=4 2136 B6R0.1 COC(=O)CCO MCULE-8538834260 [1,1,0,0,0,0|1,1,0]=4 2137 B6R0.1 COC(=O)CCS MCULE-1695345183 [1,1,0,0,0,0|1,0,0]=3 2138 B6R0.1 COCC(=O)NN MCULE-4127487886 [1,1,0,0,0,0|2,0,0]=4 2139 B6R0.1 CSCC(=O)NN MCULE-8151954663 [1,1,0,0,0,0|2,0,0]=4 2140 B6R0.1 N#CCC(=O)NN MCULE-9203133961 [1,1,0,0,0,0|1,0,1]=4 2141 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [1,1,0,0,0,0|0,1,1]=4 2142 B6R0.1 N=C(CCCl)NO MCULE-1713601074 [1,1,0,0,0,0|2,0,0]=4 2143 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [1,1,0,0,0,0|1,0,1]=4 2144 B6R0.1 NCCC(=O)CN MCULE-3906468943 [1,1,0,0,0,0|1,0,0]=3 2145 B6R0.1 NCCC(=O)CN MCULE-9593243702 [1,1,0,0,0,0|1,0,0]=3 2146 B6R0.1 NNC(=O)CCO MCULE-6184351353 [1,1,0,0,0,0|0,1,0]=3 2147 B6R0.1 NNC(=O)CCS MCULE-9322963076 [1,1,0,0,0,0|0,0,0]=2 2148 B6R0.1 N[C@H](CS)CCS MCULE-5846021725 [1,1,0,0,0,0|0,1,1]=4 2149 B6R0.1 N[C@H](CS)CCS MCULE-6871313350 [1,1,0,0,0,0|0,1,1]=4 2150 B6R0.1 N[C@H](CS)CCS MCULE-8095554848 [1,1,0,0,0,0|0,1,1]=4 2151 B6R0.1 N[C@H](CS)CCS MCULE-8177349504 [1,1,0,0,0,0|0,1,1]=4 2152 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [1,1,0,0,0,0|1,0,0]=3 2153 B6R0.1 O=C(CCl)CCCl MCULE-6460902474 [1,1,0,0,0,0|2,0,0]=4 2154 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [1,1,0,0,0,0|0,1,1]=4 2155 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [1,1,0,0,0,0|2,0,0]=4 2156 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [1,1,0,0,0,0|2,0,0]=4 2157 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [1,1,0,0,0,0|2,0,0]=4 2158 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [1,1,0,0,0,0|1,1,0]=4 2159 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [1,1,0,0,0,0|2,0,0]=4 2160 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [1,1,0,0,0,0|2,0,0]=4 2161 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [1,1,0,0,0,0|2,0,0]=4 2162 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [1,1,0,0,0,0|1,1,0]=4 2163 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [1,1,0,0,0,0|2,0,0]=4 2164 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [1,1,0,0,0,0|2,0,0]=4 2165 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [1,1,0,0,0,0|2,0,0]=4 2166 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [1,1,0,0,0,0|2,0,0]=4 2167 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [1,1,0,0,0,0|1,0,0]=3 2168 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [1,1,0,0,0,0|2,0,0]=4 2169 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [1,1,0,0,0,0|1,1,0]=4 2170 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [1,1,0,0,0,0|2,0,0]=4 2171 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [1,1,0,0,0,0|2,0,0]=4 2172 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [1,1,0,0,0,0|2,0,0]=4 2173 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [1,1,0,0,0,0|2,0,0]=4 2174 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [1,1,0,0,0,0|2,0,0]=4 2175 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [1,1,0,0,0,0|1,0,0]=3 2176 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [1,1,0,0,0,0|1,0,0]=3 2177 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [1,1,0,0,0,0|2,0,0]=4 2178 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [1,1,0,0,0,0|2,0,0]=4 2179 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [1,1,0,0,0,0|2,0,0]=4 2180 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [1,1,0,0,0,0|2,0,0]=4 2181 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [1,1,0,0,0,0|0,1,0]=3 2182 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [1,1,0,0,0,0|1,1,0]=4 2183 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [1,1,0,0,0,0|1,1,0]=4 2184 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [1,1,0,0,0,0|1,1,0]=4 2185 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [1,1,0,0,0,0|1,1,0]=4 2186 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [1,1,0,0,0,0|2,0,0]=4 2187 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [1,1,0,0,0,0|2,0,0]=4 2188 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [1,1,0,0,0,0|2,0,0]=4 2189 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [1,1,0,0,0,0|2,0,0]=4 2190 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [1,1,0,0,0,0|2,0,0]=4 2191 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [1,1,0,0,0,0|1,1,0]=4 2192 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [1,1,0,0,0,0|1,1,0]=4 2193 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [1,1,0,0,0,0|1,1,0]=4 2194 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [1,1,0,0,0,0|1,1,0]=4 2195 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [1,1,0,0,0,0|2,0,0]=4 2196 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [1,1,0,0,0,0|2,0,0]=4 2197 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [1,1,0,0,0,0|2,0,0]=4 2198 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [1,1,0,0,0,0|2,0,0]=4 2199 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [1,1,0,0,0,0|2,0,0]=4 2200 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [1,1,0,0,0,0|2,0,0]=4 2201 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [1,1,0,0,0,0|1,1,0]=4 2202 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [1,1,0,0,0,0|1,1,0]=4 2203 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [1,1,0,0,0,0|1,1,0]=4 2204 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [1,1,0,0,0,0|1,1,0]=4 2205 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [1,1,0,0,0,0|1,0,1]=4 2206 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [1,1,0,0,0,0|1,0,1]=4 2207 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [1,1,0,0,0,0|0,1,1]=4 2208 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [1,1,0,0,0,0|0,1,1]=4 2209 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [1,1,0,0,0,0|0,0,2]=4 2210 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [1,1,0,0,0,0|1,1,0]=4 2211 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [1,1,0,0,0,0|1,1,0]=4 2212 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [1,1,0,0,0,0|2,0,0]=4 2213 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [1,1,0,0,0,0|2,0,0]=4 2214 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [1,1,0,0,0,0|2,0,0]=4 2215 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,1,0,0,0,0|2,0,0]=4 2216 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [1,1,0,0,0,0|2,0,0]=4 2217 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [1,1,0,0,0,0|1,0,0]=3 2218 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,1,0,0,0,0|2,0,0]=4 2219 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [1,1,0,0,0,0|2,0,0]=4 2220 B6R0.4 C#CCNC(=O)N MCULE-4499144419 [1,1,0,0,0,0|1,0,1]=4 2221 B6R0.4 C#CCOC(=O)N MCULE-9698208346 [1,1,0,0,0,0|1,0,1]=4 2222 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,1,0,0,0,0|1,0,1]=4 2223 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [1,1,0,0,0,0|2,0,0]=4 2224 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [1,1,0,0,0,0|2,0,0]=4 2225 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,1,0,0,0,0|2,0,0]=4 2226 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,1,0,0,0,0|2,0,0]=4 2227 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,1,0,0,0,0|1,0,0]=3 2228 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,1,0,0,0,0|2,0,0]=4 2229 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [1,1,0,0,0,0|1,0,1]=4 2230 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [1,1,0,0,0,0|1,0,1]=4 2231 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,1,0,0,0,0|2,0,0]=4 2232 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,1,0,0,0,0|1,1,0]=4 2233 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,1,0,0,0,0|2,0,0]=4 2234 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,1,0,0,0,0|2,0,0]=4 2235 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,1,0,0,0,0|1,1,0]=4 2236 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,1,0,0,0,0|2,0,0]=4 2237 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,1,0,0,0,0|2,0,0]=4 2238 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,1,0,0,0,0|1,1,0]=4 2239 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,1,0,0,0,0|1,0,0]=3 2240 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,1,0,0,0,0|2,0,0]=4 2241 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,1,0,0,0,0|2,0,0]=4 2242 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,1,0,0,0,0|2,0,0]=4 2243 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,1,0,0,0,0|2,0,0]=4 2244 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,1,0,0,0,0|1,1,0]=4 2245 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [1,1,0,0,0,0|2,0,0]=4 2246 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,1,0,0,0,0|2,0,0]=4 2247 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,1,0,0,0,0|2,0,0]=4 2248 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,1,0,0,0,0|2,0,0]=4 2249 B6R0.4 CCCCC(=N)N MCULE-3271993509 [1,1,0,0,0,0|2,0,0]=4 2250 B6R0.4 CCCCC(=N)N MCULE-3935017760 [1,1,0,0,0,0|2,0,0]=4 2251 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,1,0,0,0,0|2,0,0]=4 2252 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,1,0,0,0,0|2,0,0]=4 2253 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,1,0,0,0,0|2,0,0]=4 2254 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,1,0,0,0,0|1,0,0]=3 2255 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,1,0,0,0,0|2,0,0]=4 2256 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,1,0,0,0,0|2,0,0]=4 2257 B6R0.4 CCCCC(=S)N MCULE-8236760762 [1,1,0,0,0,0|1,1,0]=4 2258 B6R0.4 CCCNC(=N)N MCULE-6381843991 [1,1,0,0,0,0|2,0,0]=4 2259 B6R0.4 CCCNC(=N)N MCULE-8286774592 [1,1,0,0,0,0|2,0,0]=4 2260 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,1,0,0,0,0|2,0,0]=4 2261 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,1,0,0,0,0|2,0,0]=4 2262 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,1,0,0,0,0|1,0,0]=3 2263 B6R0.4 CCCNC(=S)N MCULE-3142756488 [1,1,0,0,0,0|1,1,0]=4 2264 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,1,0,0,0,0|2,0,0]=4 2265 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,1,0,0,0,0|2,0,0]=4 2266 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,1,0,0,0,0|1,0,0]=3 2267 B6R0.4 CCCSC(=N)N MCULE-4777505658 [1,1,0,0,0,0|2,0,0]=4 2268 B6R0.4 CCCSC(=N)N MCULE-8873393921 [1,1,0,0,0,0|2,0,0]=4 2269 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,1,0,0,0,0|2,0,0]=4 2270 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,1,0,0,0,0|2,0,0]=4 2271 B6R0.4 CCCSC(=[NH2+])N MCULE-6759252204 [1,1,0,0,0,0|2,0,0]=4 2272 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,1,0,0,0,0|2,0,0]=4 2273 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,1,0,0,0,0|2,0,0]=4 2274 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,1,0,0,0,0|1,0,0]=3 2275 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,1,0,0,0,0|1,0,0]=3 2276 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,1,0,0,0,0|2,0,0]=4 2277 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,1,0,0,0,0|2,0,0]=4 2278 B6R0.4 CCOCC(=N)N MCULE-3232806707 [1,1,0,0,0,0|2,0,0]=4 2279 B6R0.4 CCOCC(=N)N MCULE-4996987536 [1,1,0,0,0,0|2,0,0]=4 2280 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,1,0,0,0,0|2,0,0]=4 2281 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,1,0,0,0,0|2,0,0]=4 2282 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,1,0,0,0,0|2,0,0]=4 2283 B6R0.4 CCOCC(=S)N MCULE-7064672670 [1,1,0,0,0,0|1,1,0]=4 2284 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,1,0,0,0,0|2,0,0]=4 2285 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,1,0,0,0,0|2,0,0]=4 2286 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,1,0,0,0,0|1,0,0]=3 2287 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,1,0,0,0,0|1,0,0]=3 2288 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,1,0,0,0,0|2,0,0]=4 2289 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,1,0,0,0,0|2,0,0]=4 2290 B6R0.4 COCCC(=N)N MCULE-8118559492 [1,1,0,0,0,0|1,1,0]=4 2291 B6R0.4 COCCC(=N)N MCULE-9000138086 [1,1,0,0,0,0|1,1,0]=4 2292 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,1,0,0,0,0|1,1,0]=4 2293 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,1,0,0,0,0|1,1,0]=4 2294 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,1,0,0,0,0|0,1,0]=3 2295 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,1,0,0,0,0|1,1,0]=4 2296 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,1,0,0,0,0|1,1,0]=4 2297 B6R0.4 CSCCC(=N)N MCULE-3926353306 [1,1,0,0,0,0|1,0,0]=3 2298 B6R0.4 CSCCC(=N)N MCULE-4451485733 [1,1,0,0,0,0|1,0,0]=3 2299 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,1,0,0,0,0|1,0,0]=3 2300 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,1,0,0,0,0|1,0,0]=3 2301 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,1,0,0,0,0|0,0,0]=2 2302 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,1,0,0,0,0|1,0,0]=3 2303 B6R0.4 CSCCC(C)N MCULE-3925048385 [1,1,0,0,0,0|1,0,1]=4 2304 B6R0.4 CSCOC(=O)C MCULE-1498769347 [1,1,0,0,0,0|2,0,0]=4 2305 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,1,0,0,0,0|2,0,0]=4 2306 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,1,0,0,0,0|2,0,0]=4 2307 B6R0.4 N#CCNC(=O)N MCULE-9927791118 [1,1,0,0,0,0|1,0,1]=4 2308 B6R0.4 N#N=NCC(=O)N MCULE-8839477322 [1,1,0,0,0,0|2,0,0]=4 2309 B6R0.4 N=C(N)NCCO MCULE-5114367892 [1,1,0,0,0,0|1,1,0]=4 2310 B6R0.4 N=C(N)NCCO MCULE-6389092248 [1,1,0,0,0,0|1,1,0]=4 2311 B6R0.4 N=C(N)NCCS MCULE-1108122235 [1,1,0,0,0,0|1,0,0]=3 2312 B6R0.4 N=C(N)NCCS MCULE-1842583721 [1,1,0,0,0,0|1,0,0]=3 2313 B6R0.4 N=C(N)NCCS MCULE-4497722042 [1,1,0,0,0,0|1,0,0]=3 2314 B6R0.4 N=C(N)NCCS MCULE-6123443321 [1,1,0,0,0,0|1,0,0]=3 2315 B6R0.4 N=C(N)SCCN MCULE-1482556327 [1,1,0,0,0,0|2,0,0]=4 2316 B6R0.4 N=C(N)SCCO MCULE-5563309692 [1,1,0,0,0,0|1,1,0]=4 2317 B6R0.4 N=C(N)SCCO MCULE-5671847690 [1,1,0,0,0,0|1,1,0]=4 2318 B6R0.4 NC(=NCCO)N MCULE-5043697998 [1,1,0,0,0,0|1,1,0]=4 2319 B6R0.4 NC(=NCCS)N MCULE-4111802244 [1,1,0,0,0,0|1,0,0]=3 2320 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,1,0,0,0,0|1,0,0]=3 2321 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,1,0,0,0,0|0,1,0]=3 2322 B6R0.4 NC(=O)CN=C=S MCULE-1111706944 [1,1,0,0,0,0|0,0,2]=4 2323 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,1,0,0,0,0|1,0,0]=3 2324 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,1,0,0,0,0|1,0,0]=3 2325 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,1,0,0,0,0|0,1,0]=3 2326 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,1,0,0,0,0|1,0,0]=3 2327 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,1,0,0,0,0|0,1,0]=3 2328 B6R0.4 NC(=S)CCCO MCULE-8951145487 [1,1,0,0,0,0|0,2,0]=4 2329 B6R0.4 NC(=S)NCCO MCULE-9343742573 [1,1,0,0,0,0|0,2,0]=4 2330 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,1,0,0,0,0|2,0,0]=4 2331 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,1,0,0,0,0|2,0,0]=4 2332 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,1,0,0,0,0|1,0,0]=3 2333 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,1,0,0,0,0|1,0,0]=3 2334 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,1,0,0,0,0|2,0,0]=4 2335 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,1,0,0,0,0|2,0,0]=4 2336 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,1,0,0,0,0|1,0,0]=3 2337 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,1,0,0,0,0|1,0,0]=3 2338 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,1,0,0,0,0|1,0,0]=3 2339 B6R0.4 NCCNC(=S)N MCULE-7473616024 [1,1,0,0,0,0|1,1,0]=4 2340 B6R0.4 NCCNC(=S)N MCULE-7947010145 [1,1,0,0,0,0|1,1,0]=4 2341 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,1,0,0,0,0|1,0,0]=3 2342 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,1,0,0,0,0|1,0,0]=3 2343 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,1,0,0,0,0|1,1,0]=4 2344 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,1,0,0,0,0|1,1,0]=4 2345 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,1,0,0,0,0|2,0,0]=4 2346 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,1,0,0,0,0|2,0,0]=4 2347 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [1,1,0,0,0,0|2,0,0]=4 2348 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [1,1,0,0,0,0|2,0,0]=4 2349 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [1,1,0,0,0,0|2,0,0]=4 2350 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,1,0,0,0,0|2,0,0]=4 2351 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,1,0,0,0,0|2,0,0]=4 2352 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,1,0,0,0,0|2,0,0]=4 2353 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,1,0,0,0,0|2,0,0]=4 2354 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,1,0,0,0,0|1,0,0]=3 2355 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,1,0,0,0,0|1,1,0]=4 2356 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,1,0,0,0,0|2,0,0]=4 2357 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,1,0,0,0,0|1,1,0]=4 2358 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,1,0,0,0,0|1,1,0]=4 2359 B6R0.4 [NH2+]=C(N)SCC[NH3+] MCULE-2799536411 [1,1,0,0,0,0|2,0,0]=4 2360 B6R0.5 CCCS(=O)(=O)N MCULE-1554874611 [1,1,0,0,0,0|2,0,0]=4 2361 B6R0.5 CS(=O)(=O)CCS MCULE-9115674422 [1,1,0,0,0,0|2,0,0]=4 2362 B6R0.5 NCCS(=O)(=O)N MCULE-1115068779 [1,1,0,0,0,0|2,0,0]=4 2363 B6R0.5 NCCS(=O)(=O)N MCULE-2765806178 [1,1,0,0,0,0|2,0,0]=4 2364 B6R0.5 NS(=O)(=O)CCO MCULE-2612328809 [1,1,0,0,0,0|1,1,0]=4 2365 B6R0.5 O=S(=O)(O)CCS MCULE-1073050356 [1,1,0,0,0,0|2,0,0]=4 2366 B6R0.5 O=S(=O)([O-])CCS MCULE-7089816613 [1,1,0,0,0,0|2,0,0]=4 2367 B6R0.8 CC(C)(C=O)CCl MCULE-4459822361 [1,1,0,0,0,0|2,0,0]=4 2368 B6R0.8 CC(C)(C=O)CF MCULE-7136604991 [1,1,0,0,0,0|2,0,0]=4 2369 B6R0.8 CC(C)(C=O)CI MCULE-4319040609 [1,1,0,0,0,0|2,0,0]=4 2370 B6R0.8 CC(C)(C=O)CO MCULE-9744921245 [1,1,0,0,0,0|1,1,0]=4 2371 B6R0.8 CCC(Br)(Br)C=O MCULE-5893364801 [1,1,0,0,0,0|2,0,0]=4 2372 B6R0.8 CCC(C)(C)C=O MCULE-4902007320 [1,1,0,0,0,0|2,0,0]=4 2373 B6R0.8 CCC(C)(N)CN MCULE-3477587448 [1,1,0,0,0,0|1,0,1]=4 2374 B6R0.8 O=CC(Br)(Br)CBr MCULE-3050482544 [1,1,0,0,0,0|2,0,0]=4 2375 B6R0.9 CCC(C=O)CC MCULE-3529464122 [1,1,0,0,0,0|2,0,0]=4 2376 B6R0.9 CCC(CN)CN MCULE-8523664234 [1,1,0,0,0,0|1,0,1]=4 2377 B6R0.9 CNC(CN)CO MCULE-7006149115 [1,1,0,0,0,0|0,1,1]=4 2378 B6R0.7 CC(=O)C(C)(C)Br MCULE-2211649171 [1,1,0,0,0,0|2,0,0]=4 2379 B6R0.7 CC(=O)C(C)(C)C MCULE-9731323161 [1,1,0,0,0,0|2,0,0]=4 2380 B6R0.7 CC(=O)C(C)(C)Cl MCULE-3074145802 [1,1,0,0,0,0|2,0,0]=4 2381 B6R0.7 CC(=O)C(C)(C)N MCULE-8236547032 [1,1,0,0,0,0|1,0,0]=3 2382 B6R0.7 CC(=O)C(C)(C)N MCULE-9736681939 [1,1,0,0,0,0|1,0,0]=3 2383 B6R0.7 CC(=O)C(C)(C)O MCULE-1535627387 [1,1,0,0,0,0|2,0,0]=4 2384 B6R0.7 CC(=O)C(C)(F)F MCULE-7856452896 [1,1,0,0,0,0|2,0,0]=4 2385 B6R0.7 CC(Br)(Br)C(=O)O MCULE-1654765678 [1,1,0,0,0,0|2,0,0]=4 2386 B6R0.7 CC(C)(Br)C(=O)Br MCULE-3927664220 [1,1,0,0,0,0|2,0,0]=4 2387 B6R0.7 CC(C)(Br)C(=O)Cl MCULE-4186209269 [1,1,0,0,0,0|2,0,0]=4 2388 B6R0.7 CC(C)(Br)C(=O)N MCULE-9238574572 [1,1,0,0,0,0|1,0,0]=3 2389 B6R0.7 CC(C)(Br)C(=O)O MCULE-9443967216 [1,1,0,0,0,0|2,0,0]=4 2390 B6R0.7 CC(C)(C)C(=N)N MCULE-7680688413 [1,1,0,0,0,0|2,0,0]=4 2391 B6R0.7 CC(C)(C)C(=N)N MCULE-8879048174 [1,1,0,0,0,0|2,0,0]=4 2392 B6R0.7 CC(C)(C)C(=O)Cl MCULE-2528821101 [1,1,0,0,0,0|2,0,0]=4 2393 B6R0.7 CC(C)(C)C(=O)N MCULE-1267347906 [1,1,0,0,0,0|1,0,0]=3 2394 B6R0.7 CC(C)(C)C(=O)O MCULE-7166067227 [1,1,0,0,0,0|2,0,0]=4 2395 B6R0.7 CC(C)(C)C(=O)[O-] MCULE-3836080044 [1,1,0,0,0,0|2,0,0]=4 2396 B6R0.7 CC(C)(C)C(=O)[O-] MCULE-4231941340 [1,1,0,0,0,0|2,0,0]=4 2397 B6R0.7 CC(C)(C)C(=S)N MCULE-3063566984 [1,1,0,0,0,0|1,1,0]=4 2398 B6R0.7 CC(C)(C)S(=O)N MCULE-4119217508 [1,1,0,0,0,0|2,0,0]=4 2399 B6R0.7 CC(C)(C)S(=O)N MCULE-8120769030 [1,1,0,0,0,0|2,0,0]=4 2400 B6R0.7 CC(C)(C)[S@@](=O)N MCULE-7239306561 [1,1,0,0,0,0|2,0,0]=4 2401 B6R0.7 CC(C)(C)[S@@](=O)N MCULE-8191878313 [1,1,0,0,0,0|2,0,0]=4 2402 B6R0.7 CC(C)(C)[S@](=O)N MCULE-1205816977 [1,1,0,0,0,0|2,0,0]=4 2403 B6R0.7 CC(C)(C)[S@](=O)N MCULE-6974247624 [1,1,0,0,0,0|2,0,0]=4 2404 B6R0.7 CC(C)(Cl)C(=O)Cl MCULE-1923898716 [1,1,0,0,0,0|2,0,0]=4 2405 B6R0.7 CC(C)(Cl)C(=O)O MCULE-4744644193 [1,1,0,0,0,0|2,0,0]=4 2406 B6R0.7 CC(C)(F)C(=O)Cl MCULE-5874577670 [1,1,0,0,0,0|2,0,0]=4 2407 B6R0.7 CC(C)(F)C(=O)N MCULE-7528431736 [1,1,0,0,0,0|1,0,0]=3 2408 B6R0.7 CC(C)(F)C(=O)O MCULE-9323110637 [1,1,0,0,0,0|2,0,0]=4 2409 B6R0.7 CC(C)(N)C(=N)N MCULE-2891169783 [1,1,0,0,0,0|1,0,0]=3 2410 B6R0.7 CC(C)(N)C(=O)Cl MCULE-1303488979 [1,1,0,0,0,0|1,0,0]=3 2411 B6R0.7 CC(C)(N)C(=O)N MCULE-4893991321 [1,1,0,0,0,0|0,0,0]=2 2412 B6R0.7 CC(C)(N)C(=O)N MCULE-7819904882 [1,1,0,0,0,0|0,0,0]=2 2413 B6R0.7 CC(C)(N)C(=O)O MCULE-4254251799 [1,1,0,0,0,0|1,0,0]=3 2414 B6R0.7 CC(C)(N)C(=O)O MCULE-6175880842 [1,1,0,0,0,0|1,0,0]=3 2415 B6R0.7 CC(C)(O)C(=N)N MCULE-4499579707 [1,1,0,0,0,0|2,0,0]=4 2416 B6R0.7 CC(C)(O)C(=N)N MCULE-5382519131 [1,1,0,0,0,0|2,0,0]=4 2417 B6R0.7 CC(C)(O)C(=O)N MCULE-9151369011 [1,1,0,0,0,0|1,0,0]=3 2418 B6R0.7 CC(C)(O)C(=O)O MCULE-4093617756 [1,1,0,0,0,0|2,0,0]=4 2419 B6R0.7 CC(C)(S)C(=O)O MCULE-1863706684 [1,1,0,0,0,0|2,0,0]=4 2420 B6R0.7 CC(C)S(=O)(=O)N MCULE-7940692200 [1,1,0,0,0,0|2,0,0]=4 2421 B6R0.7 CC(Cl)(Cl)C(=O)Cl MCULE-8935732005 [1,1,0,0,0,0|2,0,0]=4 2422 B6R0.7 CC(Cl)(Cl)C(=O)O MCULE-8201912740 [1,1,0,0,0,0|2,0,0]=4 2423 B6R0.7 CC(Cl)(Cl)C(=O)[O-] MCULE-7677513008 [1,1,0,0,0,0|2,0,0]=4 2424 B6R0.7 CC(F)(Br)C(=O)O MCULE-5584369540 [1,1,0,0,0,0|2,0,0]=4 2425 B6R0.7 CC(F)(F)C(=O)N MCULE-2299323235 [1,1,0,0,0,0|1,0,0]=3 2426 B6R0.7 CC(F)(F)C(=O)O MCULE-3936632737 [1,1,0,0,0,0|2,0,0]=4 2427 B6R0.7 CC(F)(F)C(=O)[O-] MCULE-1039544757 [1,1,0,0,0,0|2,0,0]=4 2428 B6R0.7 CC(N)P(=O)(O)O MCULE-6335375089 [1,1,0,0,0,0|2,0,0]=4 2429 B6R0.7 C[C@@H](N)P(=O)(O)O MCULE-6555656905 [1,1,0,0,0,0|2,0,0]=4 2430 B6R0.7 C[C@H](N)P(=O)(O)O MCULE-8139992515 [1,1,0,0,0,0|2,0,0]=4 2431 B6R0.7 NC(=O)C(Cl)(Cl)Cl MCULE-6471792332 [1,1,0,0,0,0|2,0,0]=4 2432 B6R0.7 NC(=O)C(F)(Br)Br MCULE-2101860120 [1,1,0,0,0,0|2,0,0]=4 2433 B6R0.7 NC(=O)C(F)(F)Br MCULE-3558144165 [1,1,0,0,0,0|2,0,0]=4 2434 B6R0.7 NC(=O)C(F)(F)Cl MCULE-5829864769 [1,1,0,0,0,0|2,0,0]=4 2435 B6R0.7 NC(=O)C(F)(F)F MCULE-5736855180 [1,1,0,0,0,0|2,0,0]=4 2436 B8R0.2 CCC(C)C(N)C(=O)N MCULE-7314175276 [0,1,0,0,0,1|2,0,0]=4 2437 B8R0.2 CCC(C)C(N)C(=O)N MCULE-8895055670 [0,1,0,0,0,1|2,0,0]=4 2438 B8R0.2 CCC(C)C(O)C(=O)N MCULE-2649023234 [0,1,0,0,0,1|2,0,0]=4 2439 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-3415036603 [0,1,0,0,0,1|2,0,0]=4 2440 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-9677139342 [0,1,0,0,0,1|2,0,0]=4 2441 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1416545198 [0,1,0,0,0,1|2,0,0]=4 2442 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1950370478 [0,1,0,0,0,1|2,0,0]=4 2443 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [0,1,0,0,0,1|2,0,0]=4 2444 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [0,1,0,0,0,1|2,0,0]=4 2445 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [0,1,0,0,0,1|2,0,0]=4 2446 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [0,1,0,0,0,1|2,0,0]=4 2447 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [0,1,0,0,0,1|2,0,0]=4 2448 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [0,1,0,0,0,1|2,0,0]=4 2449 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [0,1,0,0,0,1|2,0,0]=4 2450 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [0,1,0,0,0,1|2,0,0]=4 2451 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [0,1,0,0,0,1|2,0,0]=4 2452 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [0,1,0,0,0,1|2,0,0]=4 2453 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [0,1,0,0,0,1|2,0,0]=4 2454 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [0,1,0,0,0,1|2,0,0]=4 2455 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [0,1,0,0,0,1|2,0,0]=4 2456 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [0,1,0,0,0,1|2,0,0]=4 2457 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [0,1,0,0,0,1|2,0,0]=4 2458 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [0,1,0,0,0,1|2,0,0]=4 2459 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [0,1,0,0,0,1|2,0,0]=4 2460 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [0,1,0,0,0,1|2,0,0]=4 2461 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [0,1,0,0,0,1|2,0,0]=4 2462 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [0,1,0,0,0,1|2,0,0]=4 2463 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [0,1,0,0,0,1|2,0,0]=4 2464 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [0,1,0,0,0,1|2,0,0]=4 2465 B8R0.5 CCCC(C)OC(=O)N MCULE-5471819133 [0,1,0,0,0,1|2,0,0]=4 2466 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [0,1,0,0,0,1|2,0,0]=4 2467 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [0,1,0,0,0,1|2,0,0]=4 2468 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [0,1,0,0,0,1|2,0,0]=4 2469 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [0,1,0,0,0,1|2,0,0]=4 2470 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [0,1,0,0,0,1|2,0,0]=4 2471 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [0,1,0,0,0,1|2,0,0]=4 2472 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [0,1,0,0,0,1|2,0,0]=4 2473 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [0,1,0,0,0,1|2,0,0]=4 2474 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [0,1,0,0,0,1|2,0,0]=4 2475 B8R0.5 COCC(C)NC(=O)N MCULE-1001849810 [0,1,0,0,0,1|1,1,0]=4 2476 B8R0.16 CCC(CC(=O)N)OC MCULE-9685044533 [0,1,0,0,0,1|2,0,0]=4 2477 B8R0.16 CCC(CC)CC(=O)N MCULE-7974720854 [0,1,0,0,0,1|2,0,0]=4 2478 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [0,1,0,0,0,1|1,1,0]=4 2479 B8R0.19 CCC(C)NC(=O)CN MCULE-2235248545 [0,1,0,0,0,1|2,0,0]=4 2480 B8R0.19 CCC(C)NC(=O)CN MCULE-5232759952 [0,1,0,0,0,1|2,0,0]=4 2481 B8R0.19 CCC(C)OC(=O)NN MCULE-8409912635 [0,1,0,0,0,1|2,0,0]=4 2482 B8R0.19 CCC(N)CC(=O)OC MCULE-4861062224 [0,1,0,0,0,1|2,0,0]=4 2483 B8R0.19 CCC(N)CC(=O)OC MCULE-5474414259 [0,1,0,0,0,1|2,0,0]=4 2484 B8R0.19 CCC(N)CC(=O)OC MCULE-6614411962 [0,1,0,0,0,1|2,0,0]=4 2485 B8R0.19 CCC(N)CC(=O)OC MCULE-8833088600 [0,1,0,0,0,1|2,0,0]=4 2486 B8R0.19 CC[C@@H](N)CC(=O)OC MCULE-2253918492 [0,1,0,0,0,1|2,0,0]=4 2487 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-1636989319 [0,1,0,0,0,1|2,0,0]=4 2488 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-6253948831 [0,1,0,0,0,1|2,0,0]=4 2489 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-7924708820 [0,1,0,0,0,1|2,0,0]=4 2490 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-8911472049 [0,1,0,0,0,1|2,0,0]=4 2491 B8R0.19 COC(=O)CC(N)CN MCULE-3079708048 [0,1,0,0,0,1|2,0,0]=4 2492 B8R0.19 COC(=O)CC(N)CN MCULE-5046271852 [0,1,0,0,0,1|2,0,0]=4 2493 B8R0.19 COC(=O)CC(N)CO MCULE-4803123890 [0,1,0,0,0,1|1,1,0]=4 2494 B8R0.19 COC(=O)CC(N)CO MCULE-5372024399 [0,1,0,0,0,1|1,1,0]=4 2495 B8R0.19 NNC(=O)CC(O)CCl MCULE-4502390137 [0,1,0,0,0,1|2,0,0]=4 2496 B8R0.19 [C@@H](N)(CC)CC(=O)OC MCULE-3287738066 [0,1,0,0,0,1|2,0,0]=4 2497 B8R0.23 CC(C)C(=CC(=O)N)N MCULE-8136000309 [0,1,0,0,0,1|1,0,1]=4 2498 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,1,0,0,0,1|2,0,0]=4 2499 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,1,0,0,0,1|2,0,0]=4 2500 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,1,0,0,0,1|2,0,0]=4 2501 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,1,0,0,0,1|2,0,0]=4 2502 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,1,0,0,0,1|2,0,0]=4 2503 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,1,0,0,0,1|2,0,0]=4 2504 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,1,0,0,0,1|2,0,0]=4 2505 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,1,0,0,0,1|2,0,0]=4 2506 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,1,0,0,0,1|2,0,0]=4 2507 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,1,0,0,0,1|2,0,0]=4 2508 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,1,0,0,0,1|2,0,0]=4 2509 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,1,0,0,0,1|2,0,0]=4 2510 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,1,0,0,0,1|1,1,0]=4 2511 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,1,0,0,0,1|1,1,0]=4 2512 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,1,0,0,0,1|1,1,0]=4 2513 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,1,0,0,0,1|1,1,0]=4 2514 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,1,0,0,0,1|1,1,0]=4 2515 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,1,0,0,0,1|1,1,0]=4 2516 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,1,0,0,0,1|1,1,0]=4 2517 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,1,0,0,0,1|1,1,0]=4 2518 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,1,0,0,0,1|1,1,0]=4 2519 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,1,0,0,0,1|0,1,1]=4 2520 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,1,0,0,0,1|0,1,1]=4 2521 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,1,0,0,0,1|0,1,1]=4 2522 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,1,0,0,0,1|0,1,1]=4 2523 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,1,0,0,0,1|0,1,1]=4 2524 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,1,0,0,0,1|0,1,1]=4 2525 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,1,0,0,0,1|0,1,1]=4 2526 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,1,0,0,0,1|0,1,1]=4 2527 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,1,0,0,0,1|0,1,1]=4 2528 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,1,0,0,0,1|0,1,1]=4 2529 B8R0.3 C#CCC(N)C(=O)OC MCULE-2178950640 [0,2,0,0,0,0|2,0,0]=4 2530 B8R0.3 C#CCC(N)C(=O)OC MCULE-6758978147 [0,2,0,0,0,0|2,0,0]=4 2531 B8R0.3 C#CC[C@@H](N)C(=O)OC MCULE-1974908886 [0,2,0,0,0,0|2,0,0]=4 2532 B8R0.3 C#CC[C@@H](N)C(=O)OC MCULE-4511622416 [0,2,0,0,0,0|2,0,0]=4 2533 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-1519824425 [0,2,0,0,0,0|2,0,0]=4 2534 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-2744971317 [0,2,0,0,0,0|2,0,0]=4 2535 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-4813964115 [0,2,0,0,0,0|2,0,0]=4 2536 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-6433911913 [0,2,0,0,0,0|2,0,0]=4 2537 B8R0.3 C=CCC(N)C(=O)OC MCULE-1390503391 [0,2,0,0,0,0|2,0,0]=4 2538 B8R0.3 C=CCC(N)C(=O)OC MCULE-6527008669 [0,2,0,0,0,0|2,0,0]=4 2539 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1188632168 [0,2,0,0,0,0|2,0,0]=4 2540 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1561172370 [0,2,0,0,0,0|2,0,0]=4 2541 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1592773442 [0,2,0,0,0,0|2,0,0]=4 2542 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-2928833845 [0,2,0,0,0,0|2,0,0]=4 2543 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-1184647267 [0,2,0,0,0,0|2,0,0]=4 2544 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-6782970786 [0,2,0,0,0,0|2,0,0]=4 2545 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-7213365607 [0,2,0,0,0,0|2,0,0]=4 2546 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-9811834405 [0,2,0,0,0,0|2,0,0]=4 2547 B8R0.3 CCCC(=O)C(N)CO MCULE-4196745965 [0,2,0,0,0,0|1,1,0]=4 2548 B8R0.3 CCCC(=O)C(N)CO MCULE-9001126199 [0,2,0,0,0,0|1,1,0]=4 2549 B8R0.3 CCCC(N)C(=O)NC MCULE-3980097421 [0,2,0,0,0,0|1,0,0]=3 2550 B8R0.3 CCCC(N)C(=O)NO MCULE-2069838283 [0,2,0,0,0,0|1,0,0]=3 2551 B8R0.3 CCCC(N)C(=O)OC MCULE-1453218994 [0,2,0,0,0,0|2,0,0]=4 2552 B8R0.3 CCCC(N)C(=O)OC MCULE-4171872835 [0,2,0,0,0,0|2,0,0]=4 2553 B8R0.3 CCCC(N)C(=O)OC MCULE-4324009425 [0,2,0,0,0,0|2,0,0]=4 2554 B8R0.3 CCCC(N)C(=O)OC MCULE-9533158990 [0,2,0,0,0,0|2,0,0]=4 2555 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-1310673609 [0,2,0,0,0,0|2,0,0]=4 2556 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5850698619 [0,2,0,0,0,0|2,0,0]=4 2557 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5854286766 [0,2,0,0,0,0|2,0,0]=4 2558 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-9793822862 [0,2,0,0,0,0|2,0,0]=4 2559 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-2009036281 [0,2,0,0,0,0|2,0,0]=4 2560 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5609199650 [0,2,0,0,0,0|2,0,0]=4 2561 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5628439347 [0,2,0,0,0,0|2,0,0]=4 2562 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-8724830592 [0,2,0,0,0,0|2,0,0]=4 2563 B8R0.3 CCNC(=O)C(N)CC MCULE-2664739052 [0,2,0,0,0,0|1,0,0]=3 2564 B8R0.3 CCNC(=O)[C@@H](N)CC MCULE-2776960278 [0,2,0,0,0,0|1,0,0]=3 2565 B8R0.3 CCNC(=O)[C@@H](N)CC MCULE-4327862853 [0,2,0,0,0,0|1,0,0]=3 2566 B8R0.3 CCOC(=O)C(N)CC MCULE-1078770122 [0,2,0,0,0,0|2,0,0]=4 2567 B8R0.3 CCOC(=O)C(N)CC MCULE-4005480919 [0,2,0,0,0,0|2,0,0]=4 2568 B8R0.3 CCOC(=O)C(N)CC MCULE-7008098270 [0,2,0,0,0,0|2,0,0]=4 2569 B8R0.3 CCOC(=O)C(N)CC MCULE-9698514597 [0,2,0,0,0,0|2,0,0]=4 2570 B8R0.3 CCOC(=O)C(N)CO MCULE-1666659750 [0,2,0,0,0,0|1,1,0]=4 2571 B8R0.3 CCOC(=O)C(N)CO MCULE-1998512614 [0,2,0,0,0,0|1,1,0]=4 2572 B8R0.3 CCOC(=O)C(N)CO MCULE-2382743439 [0,2,0,0,0,0|1,1,0]=4 2573 B8R0.3 CCOC(=O)C(N)CO MCULE-8735565522 [0,2,0,0,0,0|1,1,0]=4 2574 B8R0.3 CCOC(=O)C(N)CS MCULE-1346857927 [0,2,0,0,0,0|1,0,0]=3 2575 B8R0.3 CCOC(=O)C(N)CS MCULE-2778317647 [0,2,0,0,0,0|1,0,0]=3 2576 B8R0.3 CCOC(=O)C(N)CS MCULE-4631330176 [0,2,0,0,0,0|1,0,0]=3 2577 B8R0.3 CCOC(=O)C(N)CS MCULE-9332095158 [0,2,0,0,0,0|1,0,0]=3 2578 B8R0.3 CCOC(=O)[C@@H](N)CC MCULE-3295720196 [0,2,0,0,0,0|2,0,0]=4 2579 B8R0.3 CCOC(=O)[C@@H](N)CC MCULE-3974992068 [0,2,0,0,0,0|2,0,0]=4 2580 B8R0.3 CCOC(=O)[C@@H](N)CC MCULE-6812206052 [0,2,0,0,0,0|2,0,0]=4 2581 B8R0.3 CCOC(=O)[C@@H](N)CC MCULE-7278573962 [0,2,0,0,0,0|2,0,0]=4 2582 B8R0.3 CCOC(=O)[C@@H](N)CN MCULE-3992415653 [0,2,0,0,0,0|2,0,0]=4 2583 B8R0.3 CCOC(=O)[C@@H](N)CN MCULE-5633443221 [0,2,0,0,0,0|2,0,0]=4 2584 B8R0.3 CCOC(=O)[C@@H](N)CO MCULE-3922789205 [0,2,0,0,0,0|1,1,0]=4 2585 B8R0.3 CCOC(=O)[C@@H](N)CO MCULE-4123182744 [0,2,0,0,0,0|1,1,0]=4 2586 B8R0.3 CCOC(=O)[C@@H](N)CO MCULE-9348155020 [0,2,0,0,0,0|1,1,0]=4 2587 B8R0.3 CCOC(=O)[C@@H](N)CS MCULE-4155299626 [0,2,0,0,0,0|1,0,0]=3 2588 B8R0.3 CCOC(=O)[C@@H](N)CS MCULE-5221844279 [0,2,0,0,0,0|1,0,0]=3 2589 B8R0.3 CCOC(=O)[C@@H](N)CS MCULE-7483061356 [0,2,0,0,0,0|1,0,0]=3 2590 B8R0.3 CCOC(=O)[C@@H](N)CS MCULE-9958458010 [0,2,0,0,0,0|1,0,0]=3 2591 B8R0.3 CCOC(=O)[C@H](N)CC MCULE-6501312525 [0,2,0,0,0,0|2,0,0]=4 2592 B8R0.3 CCOC(=O)[C@H](N)CO MCULE-5633972344 [0,2,0,0,0,0|1,1,0]=4 2593 B8R0.3 CCOC(=O)[C@H](N)CO MCULE-6411527516 [0,2,0,0,0,0|1,1,0]=4 2594 B8R0.3 CCOC(=O)[C@H](N)CO MCULE-9780267969 [0,2,0,0,0,0|1,1,0]=4 2595 B8R0.3 CCOC(=O)[C@H](N)CO MCULE-9929488925 [0,2,0,0,0,0|1,1,0]=4 2596 B8R0.3 CCOC(=O)[C@H](N)CS MCULE-3111652654 [0,2,0,0,0,0|1,0,0]=3 2597 B8R0.3 CCOC(=O)[C@H](N)CS MCULE-5156842229 [0,2,0,0,0,0|1,0,0]=3 2598 B8R0.3 CCOC(=O)[C@H](N)CS MCULE-7914546483 [0,2,0,0,0,0|1,0,0]=3 2599 B8R0.3 CCOC(=O)[C@H](N)CS MCULE-8471951192 [0,2,0,0,0,0|1,0,0]=3 2600 B8R0.3 CCOC(C)C(=O)NN MCULE-1066133056 [0,2,0,0,0,0|2,0,0]=4 2601 B8R0.3 CCOC(C)C(=O)NN MCULE-9272616432 [0,2,0,0,0,0|2,0,0]=4 2602 B8R0.3 CNCC(C)C(=O)NC MCULE-2413275831 [0,2,0,0,0,0|2,0,0]=4 2603 B8R0.3 CNC[C@H](N)C(=O)OC MCULE-6377659413 [0,2,0,0,0,0|2,0,0]=4 2604 B8R0.3 CNC[C@H](N)C(=O)OC MCULE-9611469994 [0,2,0,0,0,0|2,0,0]=4 2605 B8R0.3 COC(=O)C(N)CCBr MCULE-5668145888 [0,2,0,0,0,0|2,0,0]=4 2606 B8R0.3 COC(=O)C(N)CCBr MCULE-5831054247 [0,2,0,0,0,0|2,0,0]=4 2607 B8R0.3 COC(=O)C(N)CCF MCULE-3356013030 [0,2,0,0,0,0|2,0,0]=4 2608 B8R0.3 COC(=O)C(N)CCF MCULE-6443244944 [0,2,0,0,0,0|2,0,0]=4 2609 B8R0.3 COC(=O)C(N)CCS MCULE-8178229832 [0,2,0,0,0,0|1,0,0]=3 2610 B8R0.3 COC(=O)C(N)CSC MCULE-6702025743 [0,2,0,0,0,0|1,0,0]=3 2611 B8R0.3 COC(=O)C(N)CSC MCULE-7180641175 [0,2,0,0,0,0|1,0,0]=3 2612 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-1252477377 [0,2,0,0,0,0|2,0,0]=4 2613 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-6780159971 [0,2,0,0,0,0|2,0,0]=4 2614 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-8129635461 [0,2,0,0,0,0|2,0,0]=4 2615 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-9824385803 [0,2,0,0,0,0|2,0,0]=4 2616 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-5345736899 [0,2,0,0,0,0|2,0,0]=4 2617 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-8434362314 [0,2,0,0,0,0|2,0,0]=4 2618 B8R0.3 COC(=O)[C@@H](N)CCS MCULE-1895611205 [0,2,0,0,0,0|1,0,0]=3 2619 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-2532401863 [0,2,0,0,0,0|1,0,0]=3 2620 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-3321267517 [0,2,0,0,0,0|1,0,0]=3 2621 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-5693942065 [0,2,0,0,0,0|1,0,0]=3 2622 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-7597642447 [0,2,0,0,0,0|1,0,0]=3 2623 B8R0.3 COC(=O)[C@H](N)CCN MCULE-1821826306 [0,2,0,0,0,0|2,0,0]=4 2624 B8R0.3 COC(=O)[C@H](N)CCN MCULE-8161776969 [0,2,0,0,0,0|2,0,0]=4 2625 B8R0.3 COC(=O)[C@H](N)CCO MCULE-1194830786 [0,2,0,0,0,0|1,1,0]=4 2626 B8R0.3 COC(=O)[C@H](N)CCO MCULE-2532522705 [0,2,0,0,0,0|1,1,0]=4 2627 B8R0.3 COC(=O)[C@H](N)CCS MCULE-8558179208 [0,2,0,0,0,0|1,0,0]=3 2628 B8R0.3 COCC(N)C(=O)OC MCULE-1717271658 [0,2,0,0,0,0|1,1,0]=4 2629 B8R0.3 COCC(N)C(=O)OC MCULE-4567479747 [0,2,0,0,0,0|1,1,0]=4 2630 B8R0.3 COCC(N)C(=O)OC MCULE-4859095599 [0,2,0,0,0,0|1,1,0]=4 2631 B8R0.3 COCC(N)C(=O)OC MCULE-8125210840 [0,2,0,0,0,0|1,1,0]=4 2632 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-2867072950 [0,2,0,0,0,0|1,1,0]=4 2633 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-5445193744 [0,2,0,0,0,0|1,1,0]=4 2634 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-8505505456 [0,2,0,0,0,0|1,1,0]=4 2635 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-8525451378 [0,2,0,0,0,0|1,1,0]=4 2636 B8R0.3 [C@H](N)(CO)C(=O)OCC MCULE-8379845791 [0,2,0,0,0,0|1,1,0]=4 2637 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [0,2,0,0,0,0|2,0,0]=4 2638 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [0,2,0,0,0,0|2,0,0]=4 2639 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [0,2,0,0,0,0|2,0,0]=4 2640 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [0,2,0,0,0,0|2,0,0]=4 2641 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [0,2,0,0,0,0|2,0,0]=4 2642 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [0,2,0,0,0,0|2,0,0]=4 2643 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [0,2,0,0,0,0|2,0,0]=4 2644 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [0,2,0,0,0,0|1,0,0]=3 2645 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [0,2,0,0,0,0|1,0,0]=3 2646 B8R0.8 C=CCCC(C)C(=O)N MCULE-4187602833 [0,2,0,0,0,0|2,0,0]=4 2647 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [0,2,0,0,0,0|1,0,0]=3 2648 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [0,2,0,0,0,0|1,0,0]=3 2649 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [0,2,0,0,0,0|2,0,0]=4 2650 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [0,2,0,0,0,0|2,0,0]=4 2651 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [0,2,0,0,0,0|2,0,0]=4 2652 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [0,2,0,0,0,0|2,0,0]=4 2653 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [0,2,0,0,0,0|2,0,0]=4 2654 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [0,2,0,0,0,0|2,0,0]=4 2655 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [0,2,0,0,0,0|2,0,0]=4 2656 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [0,2,0,0,0,0|2,0,0]=4 2657 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [0,2,0,0,0,0|2,0,0]=4 2658 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [0,2,0,0,0,0|2,0,0]=4 2659 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [0,2,0,0,0,0|2,0,0]=4 2660 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [0,2,0,0,0,0|2,0,0]=4 2661 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [0,2,0,0,0,0|2,0,0]=4 2662 B8R0.8 CCCCC(Br)C(=O)N MCULE-9831415558 [0,2,0,0,0,0|2,0,0]=4 2663 B8R0.8 CCCCC(C)C(=O)N MCULE-6062124512 [0,2,0,0,0,0|2,0,0]=4 2664 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [0,2,0,0,0,0|2,0,0]=4 2665 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [0,2,0,0,0,0|2,0,0]=4 2666 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,2,0,0,0,0|2,0,0]=4 2667 B8R0.8 CCCCC(O)C(=O)N MCULE-1063256537 [0,2,0,0,0,0|2,0,0]=4 2668 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,2,0,0,0,0|2,0,0]=4 2669 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,2,0,0,0,0|2,0,0]=4 2670 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [0,2,0,0,0,0|1,0,0]=3 2671 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [0,2,0,0,0,0|1,0,0]=3 2672 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [0,2,0,0,0,0|1,0,0]=3 2673 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [0,2,0,0,0,0|1,0,0]=3 2674 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,2,0,0,0,0|2,0,0]=4 2675 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,2,0,0,0,0|2,0,0]=4 2676 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [0,2,0,0,0,0|1,1,0]=4 2677 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [0,2,0,0,0,0|1,1,0]=4 2678 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [0,2,0,0,0,0|1,1,0]=4 2679 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [0,2,0,0,0,0|1,1,0]=4 2680 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,2,0,0,0,0|1,0,0]=3 2681 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [0,2,0,0,0,0|0,1,0]=3 2682 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [0,2,0,0,0,0|0,1,0]=3 2683 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [0,2,0,0,0,0|1,1,0]=4 2684 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [0,2,0,0,0,0|1,1,0]=4 2685 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [0,2,0,0,0,0|1,1,0]=4 2686 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [0,2,0,0,0,0|0,0,0]=2 2687 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [0,2,0,0,0,0|0,0,0]=2 2688 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [0,2,0,0,0,0|0,0,0]=2 2689 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [0,2,0,0,0,0|0,0,0]=2 2690 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [0,2,0,0,0,0|1,0,0]=3 2691 B8R0.8 CSCCC(O)C(=O)N MCULE-9019971815 [0,2,0,0,0,0|1,0,0]=3 2692 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [0,2,0,0,0,0|2,0,0]=4 2693 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [0,2,0,0,0,0|1,0,0]=3 2694 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [0,2,0,0,0,0|1,0,0]=3 2695 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [0,2,0,0,0,0|1,0,0]=3 2696 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [0,2,0,0,0,0|1,0,0]=3 2697 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [0,2,0,0,0,0|0,0,0]=2 2698 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [0,2,0,0,0,0|0,0,0]=2 2699 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [0,2,0,0,0,0|0,0,0]=2 2700 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [0,2,0,0,0,0|0,0,0]=2 2701 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [0,2,0,0,0,0|1,0,0]=3 2702 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [0,2,0,0,0,0|1,0,0]=3 2703 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [0,2,0,0,0,0|1,0,0]=3 2704 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [0,2,0,0,0,0|1,1,0]=4 2705 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [0,2,0,0,0,0|1,1,0]=4 2706 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [0,2,0,0,0,0|1,1,0]=4 2707 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [0,2,0,0,0,0|1,1,0]=4 2708 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [0,2,0,0,0,0|2,0,0]=4 2709 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [0,2,0,0,0,0|2,0,0]=4 2710 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [0,2,0,0,0,0|2,0,0]=4 2711 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [0,2,0,0,0,0|2,0,0]=4 2712 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [0,2,0,0,0,0|2,0,0]=4 2713 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [0,2,0,0,0,0|2,0,0]=4 2714 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [0,2,0,0,0,0|2,0,0]=4 2715 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [0,2,0,0,0,0|2,0,0]=4 2716 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [0,2,0,0,0,0|2,0,0]=4 2717 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [0,2,0,0,0,0|2,0,0]=4 2718 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [0,2,0,0,0,0|2,0,0]=4 2719 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [0,2,0,0,0,0|2,0,0]=4 2720 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [0,2,0,0,0,0|2,0,0]=4 2721 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [0,2,0,0,0,0|2,0,0]=4 2722 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [0,2,0,0,0,0|2,0,0]=4 2723 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [0,2,0,0,0,0|2,0,0]=4 2724 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [0,2,0,0,0,0|1,1,0]=4 2725 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [0,2,0,0,0,0|1,1,0]=4 2726 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [0,2,0,0,0,0|1,1,0]=4 2727 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [0,2,0,0,0,0|1,1,0]=4 2728 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [0,2,0,0,0,0|1,1,0]=4 2729 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [0,2,0,0,0,0|1,1,0]=4 2730 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [0,2,0,0,0,0|2,0,0]=4 2731 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [0,2,0,0,0,0|1,1,0]=4 2732 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4562460888 [0,2,0,0,0,0|2,0,0]=4 2733 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4736712462 [0,2,0,0,0,0|2,0,0]=4 2734 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-6764345986 [0,2,0,0,0,0|2,0,0]=4 2735 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-1901194070 [0,2,0,0,0,0|2,0,0]=4 2736 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-2129950967 [0,2,0,0,0,0|2,0,0]=4 2737 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-4531641107 [0,2,0,0,0,0|2,0,0]=4 2738 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-9554569949 [0,2,0,0,0,0|2,0,0]=4 2739 B8R0.12 C#CCC(C)(N)C(=O)O MCULE-8114982544 [0,2,0,0,0,0|2,0,0]=4 2740 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2326062849 [0,2,0,0,0,0|2,0,0]=4 2741 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2897598223 [0,2,0,0,0,0|2,0,0]=4 2742 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-6332359697 [0,2,0,0,0,0|2,0,0]=4 2743 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-9265618717 [0,2,0,0,0,0|2,0,0]=4 2744 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-2976528694 [0,2,0,0,0,0|2,0,0]=4 2745 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-7418052843 [0,2,0,0,0,0|2,0,0]=4 2746 B8R0.12 C=CCC(C)(N)C(=O)O MCULE-7144199889 [0,2,0,0,0,0|2,0,0]=4 2747 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-4753726738 [0,2,0,0,0,0|2,0,0]=4 2748 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-8270551752 [0,2,0,0,0,0|2,0,0]=4 2749 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-2471413685 [0,2,0,0,0,0|2,0,0]=4 2750 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-5595289174 [0,2,0,0,0,0|2,0,0]=4 2751 B8R0.12 CC(N)(CCF)C(=O)O MCULE-5797177130 [0,2,0,0,0,0|2,0,0]=4 2752 B8R0.12 CC(N)(CCF)C(=O)O MCULE-9911119608 [0,2,0,0,0,0|2,0,0]=4 2753 B8R0.12 CCCC(C)(N)C(=O)O MCULE-3079931045 [0,2,0,0,0,0|2,0,0]=4 2754 B8R0.12 CCCC(C)(O)C(=O)N MCULE-5398805490 [0,2,0,0,0,0|2,0,0]=4 2755 B8R0.12 CCC[C@](C)(N)C(=O)O MCULE-8569302783 [0,2,0,0,0,0|2,0,0]=4 2756 B8R0.12 CCNC(C)(C)C(=O)N MCULE-9687659825 [0,2,0,0,0,0|2,0,0]=4 2757 B8R0.12 CCOC(C)(C)C(=O)N MCULE-6728122742 [0,2,0,0,0,0|2,0,0]=4 2758 B8R0.12 COCC(C)(N)C(=O)N MCULE-3533018780 [0,2,0,0,0,0|0,1,0]=3 2759 B8R0.12 COCC(C)(N)C(=O)N MCULE-9747751712 [0,2,0,0,0,0|0,1,0]=3 2760 B8R0.12 CSCC(C)(C)C(=O)O MCULE-8010872211 [0,2,0,0,0,0|2,0,0]=4 2761 B8R0.12 N#CCC(Br)(Br)C(=O)N MCULE-1038956782 [0,2,0,0,0,0|2,0,0]=4 2762 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [0,2,0,0,0,0|2,0,0]=4 2763 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [0,2,0,0,0,0|2,0,0]=4 2764 B8R0.15 CCC(NC=O)C(=O)O MCULE-6163876154 [0,2,0,0,0,0|2,0,0]=4 2765 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [0,2,0,0,0,0|2,0,0]=4 2766 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [0,2,0,0,0,0|2,0,0]=4 2767 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [0,2,0,0,0,0|2,0,0]=4 2768 B8R0.15 CCCC(NO)C(=O)O MCULE-7484331195 [0,2,0,0,0,0|2,0,0]=4 2769 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [0,2,0,0,0,0|2,0,0]=4 2770 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [0,2,0,0,0,0|2,0,0]=4 2771 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [0,2,0,0,0,0|2,0,0]=4 2772 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [0,2,0,0,0,0|2,0,0]=4 2773 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [0,2,0,0,0,0|2,0,0]=4 2774 B8R0.15 CCC[C@H](NO)C(=O)O MCULE-7455558431 [0,2,0,0,0,0|2,0,0]=4 2775 B8R0.15 CCOC(CC)C(=O)N MCULE-8093014638 [0,2,0,0,0,0|2,0,0]=4 2776 B8R0.15 CNC(CCN)C(=O)N MCULE-4176706453 [0,2,0,0,0,0|1,0,0]=3 2777 B8R0.15 CNC(CCN)C(=O)O MCULE-6687313255 [0,2,0,0,0,0|2,0,0]=4 2778 B8R0.15 CNC(COC)C(=O)N MCULE-9124173069 [0,2,0,0,0,0|0,1,0]=3 2779 B8R0.15 CNC(COC)C(=O)O MCULE-4091913769 [0,2,0,0,0,0|1,1,0]=4 2780 B8R0.15 CNC(COC)C(=O)O MCULE-6745647660 [0,2,0,0,0,0|1,1,0]=4 2781 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-4209872941 [0,2,0,0,0,0|1,1,0]=4 2782 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-7202916887 [0,2,0,0,0,0|1,1,0]=4 2783 B8R0.15 CN[C@@H](COC)C(=O)N MCULE-2651499559 [0,2,0,0,0,0|0,1,0]=3 2784 B8R0.15 CN[C@@H](COC)C(=O)N MCULE-2761071254 [0,2,0,0,0,0|0,1,0]=3 2785 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-1874728709 [0,2,0,0,0,0|1,1,0]=4 2786 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-3716592032 [0,2,0,0,0,0|1,1,0]=4 2787 B8R0.15 COC(CCN)C(=O)N MCULE-4310174639 [0,2,0,0,0,0|2,0,0]=4 2788 B8R0.15 COCC(ON)C(=O)O MCULE-4466158339 [0,2,0,0,0,0|1,1,0]=4 2789 B8R0.15 COCC(ON)C(=O)O MCULE-6084078663 [0,2,0,0,0,0|1,1,0]=4 2790 B8R0.15 O=CN[C@@H](CS)C(=O)O MCULE-9815114026 [0,2,0,0,0,0|1,0,0]=3 2791 B8R0.13 CC(C)(CCl)C(=O)NO MCULE-7417714844 [0,2,0,0,0,0|2,0,0]=4 2792 B8R0.13 CCC(C)(N)C(=O)OC MCULE-3094414845 [0,2,0,0,0,0|2,0,0]=4 2793 B8R0.13 CCC(C)(N)C(=O)OC MCULE-3671452978 [0,2,0,0,0,0|2,0,0]=4 2794 B8R0.13 CCC(C)(N)C(=O)OC MCULE-7294646980 [0,2,0,0,0,0|2,0,0]=4 2795 B8R0.13 CCC(C)(N)C(=O)OC MCULE-7579678256 [0,2,0,0,0,0|2,0,0]=4 2796 B8R0.13 CCC(C)(N)C(=O)OC MCULE-8600950514 [0,2,0,0,0,0|2,0,0]=4 2797 B8R0.13 CC[C@@](C)(N)C(=O)OC MCULE-2166068124 [0,2,0,0,0,0|2,0,0]=4 2798 B8R0.13 CC[C@@](C)(N)C(=O)OC MCULE-5528793909 [0,2,0,0,0,0|2,0,0]=4 2799 B8R0.13 CC[C@@](C)(N)C(=O)OC MCULE-5577268972 [0,2,0,0,0,0|2,0,0]=4 2800 B8R0.13 CC[C@@](C)(N)C(=O)OC MCULE-9937729069 [0,2,0,0,0,0|2,0,0]=4 2801 B8R0.13 CC[C@](C)(N)C(=O)OC MCULE-1110630847 [0,2,0,0,0,0|2,0,0]=4 2802 B8R0.13 CC[C@](C)(N)C(=O)OC MCULE-1873229791 [0,2,0,0,0,0|2,0,0]=4 2803 B8R0.13 CC[C@](C)(N)C(=O)OC MCULE-2400409033 [0,2,0,0,0,0|2,0,0]=4 2804 B8R0.13 CC[C@](C)(N)C(=O)OC MCULE-7488892262 [0,2,0,0,0,0|2,0,0]=4 2805 B8R0.13 CNC(=O)C(C)(C)CCl MCULE-6059735836 [0,2,0,0,0,0|2,0,0]=4 2806 B8R0.13 CNC(=O)C(C)(C)CN MCULE-2878763373 [0,2,0,0,0,0|2,0,0]=4 2807 B8R0.13 CNC(=O)C(C)(C)CN MCULE-3206960064 [0,2,0,0,0,0|2,0,0]=4 2808 B8R0.13 COC(=O)C(C)(C)CS MCULE-1609978379 [0,2,0,0,0,0|2,0,0]=4 2809 B8R0.13 COC(=O)C(C)(N)CO MCULE-3846577646 [0,2,0,0,0,0|1,1,0]=4 2810 B8R0.13 COC(=O)C(C)(N)CO MCULE-4981173106 [0,2,0,0,0,0|1,1,0]=4 2811 B8R0.13 COC(=O)[C@@](C)(N)CO MCULE-2857382898 [0,2,0,0,0,0|1,1,0]=4 2812 B8R0.13 COC(=O)[C@@](C)(N)CO MCULE-3226982515 [0,2,0,0,0,0|1,1,0]=4 2813 B8R0.20 CCC(CC)C(=O)NC MCULE-1491407837 [0,2,0,0,0,0|2,0,0]=4 2814 B8R0.20 CCC(CC)C(=O)NN MCULE-2188897892 [0,2,0,0,0,0|2,0,0]=4 2815 B8R0.20 CCC(CN)C(=O)OC MCULE-1321974588 [0,2,0,0,0,0|2,0,0]=4 2816 B8R0.20 CCC(CN)C(=O)OC MCULE-3486156834 [0,2,0,0,0,0|2,0,0]=4 2817 B8R0.20 CCC(NC)C(=O)OC MCULE-2432468432 [0,2,0,0,0,0|2,0,0]=4 2818 B8R0.20 CCC(NC)C(=O)OC MCULE-3478855741 [0,2,0,0,0,0|2,0,0]=4 2819 B8R0.20 CCC(OC)C(=O)NN MCULE-3579318749 [0,2,0,0,0,0|2,0,0]=4 2820 B8R0.20 CCC(OC)C(=O)NN MCULE-8374336485 [0,2,0,0,0,0|2,0,0]=4 2821 B8R0.20 CC[C@H](NC)C(=O)OC MCULE-3786730078 [0,2,0,0,0,0|2,0,0]=4 2822 B8R0.20 CC[C@H](NC)C(=O)OC MCULE-5452442009 [0,2,0,0,0,0|2,0,0]=4 2823 B8R0.20 CC[C@H](NC)C(=O)OC MCULE-6957965861 [0,2,0,0,0,0|2,0,0]=4 2824 B8R0.20 CC[C@H](NC)C(=O)OC MCULE-7876560081 [0,2,0,0,0,0|2,0,0]=4 2825 B8R0.20 CNC(CN)C(=O)OC MCULE-3787828683 [0,2,0,0,0,0|2,0,0]=4 2826 B8R0.20 CNC(CO)C(=O)OC MCULE-1017957273 [0,2,0,0,0,0|1,1,0]=4 2827 B8R0.20 CNC(CO)C(=O)OC MCULE-2751377307 [0,2,0,0,0,0|1,1,0]=4 2828 B8R0.20 COC(=O)C(CN)CN MCULE-2482587382 [0,2,0,0,0,0|2,0,0]=4 2829 B8R0.20 COC(=O)C(CN)CN MCULE-7758396429 [0,2,0,0,0,0|2,0,0]=4 2830 B8R0.36 C=CC(N)(CO)C(=O)O MCULE-8811599430 [0,2,0,0,0,0|1,1,0]=4 2831 B8R0.36 CCC(N)(CC)C(=O)N MCULE-4886059492 [0,2,0,0,0,0|1,0,0]=3 2832 B8R0.36 CCC(N)(CC)C(=O)N MCULE-8377450478 [0,2,0,0,0,0|1,0,0]=3 2833 B8R0.36 CCC(N)(CC)C(=O)O MCULE-9609626868 [0,2,0,0,0,0|2,0,0]=4 2834 B8R0.36 CCC(N)(CC)C(=O)O MCULE-9646246236 [0,2,0,0,0,0|2,0,0]=4 2835 B8R0.37 CC(C)(C(=O)N)C(F)F MCULE-6048049569 [0,2,0,0,0,0|2,0,0]=4 2836 B8R0.37 CC(C)C(C)(N)C(=O)N MCULE-6386036357 [0,2,0,0,0,0|1,0,0]=3 2837 B8R0.37 CC(C)C(C)(N)C(=O)O MCULE-2018617657 [0,2,0,0,0,0|2,0,0]=4 2838 B8R0.37 CC(C)C(C)(N)C(=O)O MCULE-8116018936 [0,2,0,0,0,0|2,0,0]=4 2839 B8R0.37 CC(C)[C@@](C)(N)C(=O)O MCULE-1672449529 [0,2,0,0,0,0|2,0,0]=4 2840 B8R0.37 CC(C)[C@@](C)(N)C(=O)O MCULE-5333264309 [0,2,0,0,0,0|2,0,0]=4 2841 B8R0.37 CC(C)[C@](C)(N)C(=O)O MCULE-3942243398 [0,2,0,0,0,0|2,0,0]=4 2842 B8R0.37 CC(C)[C@](C)(N)C(=O)O MCULE-5291448404 [0,2,0,0,0,0|2,0,0]=4 2843 B8R0.37 CC(O)C(C)(N)C(=O)O MCULE-9781647782 [0,2,0,0,0,0|1,1,0]=4 2844 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-4212497890 [0,2,0,0,0,0|1,1,0]=4 2845 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-7382680634 [0,2,0,0,0,0|1,1,0]=4 2846 B8R0.37 C[C@H](O)[C@@](C)(N)C(=O)O MCULE-5661079280 [0,2,0,0,0,0|1,1,0]=4 2847 B8R0.37 NC(=O)C(F)(F)C(F)F MCULE-4918215794 [0,2,0,0,0,0|2,0,0]=4 2848 B8R0.27 C(N)(C(=O)O)C(C)(C)S MCULE-1893345960 [0,2,0,0,0,0|1,0,0]=3 2849 B8R0.27 CC(=O)[C@@H](N)C(C)(C)C MCULE-9412848571 [0,2,0,0,0,0|2,0,0]=4 2850 B8R0.27 CC(C)(C)C(N)C(=O)N MCULE-3894112806 [0,2,0,0,0,0|1,0,0]=3 2851 B8R0.27 CC(C)(C)C(N)C(=O)N MCULE-7020753722 [0,2,0,0,0,0|1,0,0]=3 2852 B8R0.27 CC(C)(C)C(N)C(=O)N MCULE-7146166501 [0,2,0,0,0,0|1,0,0]=3 2853 B8R0.27 CC(C)(C)C(N)C(=O)N MCULE-7871694729 [0,2,0,0,0,0|1,0,0]=3 2854 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-4378220677 [0,2,0,0,0,0|2,0,0]=4 2855 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-7142182400 [0,2,0,0,0,0|2,0,0]=4 2856 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-9877941557 [0,2,0,0,0,0|2,0,0]=4 2857 B8R0.27 CC(C)(C)[C@@H](N)C(=O)N MCULE-9445074583 [0,2,0,0,0,0|1,0,0]=3 2858 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-1280092872 [0,2,0,0,0,0|2,0,0]=4 2859 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-8741274445 [0,2,0,0,0,0|2,0,0]=4 2860 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-9585981018 [0,2,0,0,0,0|2,0,0]=4 2861 B8R0.27 CC(C)(C)[C@H](N)C(=O)N MCULE-2483407443 [0,2,0,0,0,0|1,0,0]=3 2862 B8R0.27 CC(C)(C)[C@H](N)C(=O)N MCULE-4654034585 [0,2,0,0,0,0|1,0,0]=3 2863 B8R0.27 CC(C)(C)[C@H](N)C(=O)N MCULE-9173080997 [0,2,0,0,0,0|1,0,0]=3 2864 B8R0.27 CC(C)(C)[C@H](N)C(=O)N MCULE-9398616649 [0,2,0,0,0,0|1,0,0]=3 2865 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-2361901374 [0,2,0,0,0,0|2,0,0]=4 2866 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-7700637346 [0,2,0,0,0,0|2,0,0]=4 2867 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-8028056550 [0,2,0,0,0,0|2,0,0]=4 2868 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-8791211435 [0,2,0,0,0,0|2,0,0]=4 2869 B8R0.27 CC(C)(F)C(N)C(=O)O MCULE-3479476353 [0,2,0,0,0,0|2,0,0]=4 2870 B8R0.27 CC(C)(F)[C@H](N)C(=O)O MCULE-4975554837 [0,2,0,0,0,0|2,0,0]=4 2871 B8R0.27 CC(C)(F)[C@H](N)C(=O)O MCULE-6202392495 [0,2,0,0,0,0|2,0,0]=4 2872 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4257891769 [0,2,0,0,0,0|1,1,0]=4 2873 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4291820573 [0,2,0,0,0,0|1,1,0]=4 2874 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-8731964950 [0,2,0,0,0,0|1,1,0]=4 2875 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-2953137860 [0,2,0,0,0,0|1,1,0]=4 2876 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-3424625974 [0,2,0,0,0,0|1,1,0]=4 2877 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-3721152032 [0,2,0,0,0,0|1,1,0]=4 2878 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-7599346102 [0,2,0,0,0,0|1,1,0]=4 2879 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-9499245205 [0,2,0,0,0,0|1,1,0]=4 2880 B8R0.27 CC(C)(S)C(N)C(=O)O MCULE-4184299411 [0,2,0,0,0,0|1,0,0]=3 2881 B8R0.27 CC(C)(S)C(N)C(=O)O MCULE-8542176080 [0,2,0,0,0,0|1,0,0]=3 2882 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O MCULE-5986342172 [0,2,0,0,0,0|1,0,0]=3 2883 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O MCULE-9856748563 [0,2,0,0,0,0|1,0,0]=3 2884 B8R0.27 CC(C)(S)[C@H](N)C(=O)O MCULE-3098543641 [0,2,0,0,0,0|1,0,0]=3 2885 B8R0.27 CC(C)(S)[C@H](N)C(=O)O MCULE-9539588985 [0,2,0,0,0,0|1,0,0]=3 2886 B8R0.27 CC(F)(F)C(N)C(=O)O MCULE-1789483909 [0,2,0,0,0,0|2,0,0]=4 2887 B8R0.27 CC(F)(F)C(N)C(=O)O MCULE-3186979989 [0,2,0,0,0,0|2,0,0]=4 2888 B8R0.27 NC(=O)C(F)C(F)(F)F MCULE-4649140364 [0,2,0,0,0,0|2,0,0]=4 2889 B8R0.27 NC(C(=O)O)C(F)(F)F MCULE-3733724676 [0,2,0,0,0,0|2,0,0]=4 2890 B8R0.27 NC(C(=O)O)C(F)(F)F MCULE-4711987697 [0,2,0,0,0,0|2,0,0]=4 2891 B8R0.27 N[C@@H](C(=O)O)C(F)(F)F MCULE-8591691301 [0,2,0,0,0,0|2,0,0]=4 2892 B8R0.27 N[C@H](C(=O)O)C(F)(F)F MCULE-3358276371 [0,2,0,0,0,0|2,0,0]=4 2893 B8R0.27 N[C@H](C(=O)O)C(F)(F)F MCULE-4061030354 [0,2,0,0,0,0|2,0,0]=4 2894 B8R0.27 N[C@H](C(=O)O)C(F)(F)F MCULE-4421291156 [0,2,0,0,0,0|2,0,0]=4 2895 B8R0.27 N[C@H](C(=O)O)C(F)(F)F MCULE-8051017113 [0,2,0,0,0,0|2,0,0]=4 2896 B8R0.27 [C@@H](N)(C(=O)O)C(C)(C)O MCULE-5116872005 [0,2,0,0,0,0|1,1,0]=4 2897 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S MCULE-5559697921 [0,2,0,0,0,0|1,0,0]=3 2898 B8R0.18 CC(C)C(CN)C(=O)O MCULE-4117902081 [0,2,0,0,0,0|2,0,0]=4 2899 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7615812755 [0,2,0,0,0,0|2,0,0]=4 2900 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7742033605 [0,2,0,0,0,0|2,0,0]=4 2901 B8R0.18 CC(C)C(NN)C(=O)O MCULE-5064228794 [0,2,0,0,0,0|2,0,0]=4 2902 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-1192054373 [0,2,0,0,0,0|2,0,0]=4 2903 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-3040043200 [0,2,0,0,0,0|2,0,0]=4 2904 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-4353846755 [0,2,0,0,0,0|2,0,0]=4 2905 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-6762829521 [0,2,0,0,0,0|2,0,0]=4 2906 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4384560751 [0,2,0,0,0,0|2,0,0]=4 2907 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4859224613 [0,2,0,0,0,0|2,0,0]=4 2908 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4974717674 [0,2,0,0,0,0|2,0,0]=4 2909 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-7170111497 [0,2,0,0,0,0|2,0,0]=4 2910 B8R0.18 CC(C)[C@H](NO)C(=O)O MCULE-4203177410 [0,2,0,0,0,0|2,0,0]=4 2911 B8R0.18 CCC(C(=O)O)C(C)N MCULE-2976322800 [0,2,0,0,0,0|2,0,0]=4 2912 B8R0.18 CCC(C(=O)O)N(C)C MCULE-4235177725 [0,2,0,0,0,0|2,0,0]=4 2913 B8R0.18 CC[C@@H](C(=O)O)N(C)C MCULE-3756764540 [0,2,0,0,0,0|2,0,0]=4 2914 B8R0.18 CC[C@H](C(=O)O)N(C)C MCULE-4719850768 [0,2,0,0,0,0|2,0,0]=4 2915 B8R0.18 CN(C)C(CN)C(=O)O MCULE-6449978430 [0,2,0,0,0,0|2,0,0]=4 2916 B8R0.18 CNC(C(=O)C)C(C)C MCULE-7800115305 [0,2,0,0,0,0|2,0,0]=4 2917 B8R0.18 CNC(C(=O)C)C(C)C MCULE-7817785327 [0,2,0,0,0,0|2,0,0]=4 2918 B8R0.18 CNC(C(=O)O)C(C)C MCULE-2983512448 [0,2,0,0,0,0|2,0,0]=4 2919 B8R0.18 CNC(C(=O)O)C(C)C MCULE-5377326864 [0,2,0,0,0,0|2,0,0]=4 2920 B8R0.18 CNC(C(=O)O)C(C)C MCULE-7319327975 [0,2,0,0,0,0|2,0,0]=4 2921 B8R0.18 CNC(C(=O)O)C(C)O MCULE-8017224741 [0,2,0,0,0,0|1,1,0]=4 2922 B8R0.18 CN[C@@H](C(=O)N)C(C)C MCULE-3721439514 [0,2,0,0,0,0|1,0,0]=3 2923 B8R0.18 CN[C@@H](C(=O)N)C(C)C MCULE-9356028516 [0,2,0,0,0,0|1,0,0]=3 2924 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-4099145544 [0,2,0,0,0,0|2,0,0]=4 2925 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-4380404369 [0,2,0,0,0,0|2,0,0]=4 2926 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-9367123188 [0,2,0,0,0,0|2,0,0]=4 2927 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-9706333586 [0,2,0,0,0,0|2,0,0]=4 2928 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5443567819 [0,2,0,0,0,0|2,0,0]=4 2929 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5552228182 [0,2,0,0,0,0|2,0,0]=4 2930 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5767489702 [0,2,0,0,0,0|2,0,0]=4 2931 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-8822349419 [0,2,0,0,0,0|2,0,0]=4 2932 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-5405618703 [0,2,0,0,0,0|1,1,0]=4 2933 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-6470355986 [0,2,0,0,0,0|1,1,0]=4 2934 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7261692258 [0,2,0,0,0,0|1,1,0]=4 2935 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7763091319 [0,2,0,0,0,0|1,1,0]=4 2936 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-8429501411 [0,2,0,0,0,0|1,1,0]=4 2937 B6R1.2 C=C1CCSC1 MCULE-7042571473 [1,0,0,1,0,0|2,0,0]=4 2938 B6R1.2 NC1=NCCC1 MCULE-6089369366 [1,0,0,1,0,0|2,0,0]=4 2939 B6R1.2 NC1=NCCC1 MCULE-8979618464 [1,0,0,1,0,0|2,0,0]=4 2940 B6R1.2 NC1=NNCC1 MCULE-4665265929 [1,0,0,1,0,0|2,0,0]=4 2941 B6R1.2 NC1=NOCC1 MCULE-4971355735 [1,0,0,1,0,0|1,1,0]=4 2942 B6R1.2 NC1CCSC1 MCULE-8972229387 [1,0,0,1,0,0|1,0,1]=4 2943 B6R1.2 NC1CCSC1 MCULE-9186640582 [1,0,0,1,0,0|1,0,1]=4 2944 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,1,0,0|2,0,0]=4 2945 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [1,0,0,1,0,0|0,0,2]=4 2946 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [1,0,0,1,0,0|1,0,1]=4 2947 B6R1.2 O=C1CCCC1 MCULE-9455227735 [1,0,0,1,0,0|2,0,0]=4 2948 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,1,0,0|1,0,0]=3 2949 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,1,0,0|2,0,0]=4 2950 B6R1.2 O=C1CCCS1 MCULE-5361654550 [1,0,0,1,0,0|2,0,0]=4 2951 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,1,0,0|2,0,0]=4 2952 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,1,0,0|2,0,0]=4 2953 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,1,0,0|1,0,0]=3 2954 B6R1.2 O=C1CCOC1 MCULE-2031733910 [1,0,0,1,0,0|1,1,0]=4 2955 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,1,0,0|0,1,0]=3 2956 B6R1.2 O=C1CCSC1 MCULE-2059655624 [1,0,0,1,0,0|1,0,0]=3 2957 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [1,0,0,1,0,0|1,0,0]=3 2958 B6R1.2 O=C1CNCN1 MCULE-2645891847 [1,0,0,1,0,0|2,0,0]=4 2959 B6R1.2 O=C1CNCN1 MCULE-9269137129 [1,0,0,1,0,0|2,0,0]=4 2960 B6R1.2 O=C1CSCN1 MCULE-3946660854 [1,0,0,1,0,0|2,0,0]=4 2961 B6R1.2 O=C1NCCN1 MCULE-9806791551 [1,0,0,1,0,0|2,0,0]=4 2962 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,1,0,0|2,0,0]=4 2963 B6R1.2 O=C1NCCS1 MCULE-6732478086 [1,0,0,1,0,0|2,0,0]=4 2964 B6R1.2 S=C1CCCN1 MCULE-1089290822 [1,0,0,1,0,0|1,1,0]=4 2965 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [1,0,0,1,0,0|2,0,0]=4 2966 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [1,0,0,1,0,0|1,0,0]=3 2967 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [1,0,0,1,0,0|2,0,0]=4 2968 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [1,0,0,1,0,0|2,0,0]=4 2969 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [1,0,0,1,0,0|2,0,0]=4 2970 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [1,0,0,1,0,0|2,0,0]=4 2971 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [1,0,0,1,0,0|2,0,0]=4 2972 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [1,0,0,1,0,0|2,0,0]=4 2973 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [1,0,0,1,0,0|1,1,0]=4 2974 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [1,0,0,1,0,0|2,0,0]=4 2975 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [1,0,0,1,0,0|1,1,0]=4 2976 B6R1.11 N=C(N)C1CC1 MCULE-1244673727 [1,0,0,1,0,0|2,0,0]=4 2977 B6R1.11 N=C(N)C1CC1 MCULE-2494860413 [1,0,0,1,0,0|2,0,0]=4 2978 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [1,0,0,1,0,0|1,0,0]=3 2979 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [1,0,0,1,0,0|0,1,0]=3 2980 B6R1.11 NC(=S)C1CC1 MCULE-7304936539 [1,0,0,1,0,0|1,1,0]=4 2981 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [1,0,0,1,0,0|2,0,0]=4 2982 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [1,0,0,1,0,0|2,0,0]=4 2983 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [1,0,0,1,0,0|2,0,0]=4 2984 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [1,0,0,1,0,0|1,1,0]=4 2985 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [1,0,0,1,0,0|2,0,0]=4 2986 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [1,0,0,1,0,0|2,0,0]=4 2987 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [1,0,0,1,0,0|1,1,0]=4 2988 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [1,0,0,1,0,0|1,1,0]=4 2989 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [1,0,0,1,0,0|2,0,0]=4 2990 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [1,0,0,1,0,0|1,1,0]=4 2991 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [1,0,0,1,0,0|1,1,0]=4 2992 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [1,0,0,1,0,0|1,1,0]=4 2993 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [1,0,0,1,0,0|1,1,0]=4 2994 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [1,0,0,1,0,0|1,1,0]=4 2995 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [1,0,0,1,0,0|1,1,0]=4 2996 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [1,0,0,1,0,0|1,1,0]=4 2997 B6R1.4 CC1CCC1=O MCULE-4548181715 [1,0,0,1,0,0|2,0,0]=4 2998 B6R1.4 CC1CNC1=O MCULE-5523309752 [1,0,0,1,0,0|2,0,0]=4 2999 B6R1.4 CC1COC1=O MCULE-9711165188 [1,0,0,1,0,0|1,1,0]=4 3000 B6R1.4 NC1CCC1=O MCULE-3868209809 [1,0,0,1,0,0|1,0,0]=3 3001 B6R1.4 NC1CCC1=O MCULE-9741389143 [1,0,0,1,0,0|1,0,0]=3 3002 B6R1.4 NC1CCC1N MCULE-6052332328 [1,0,0,1,0,0|1,0,1]=4 3003 B6R1.4 NC1CNC1=O MCULE-2761616663 [1,0,0,1,0,0|1,0,0]=3 3004 B6R1.4 NC1CNC1=O MCULE-3021306383 [1,0,0,1,0,0|1,0,0]=3 3005 B6R1.4 NC1CNC1=O MCULE-3943057121 [1,0,0,1,0,0|1,0,0]=3 3006 B6R1.4 NC1COC1=O MCULE-6998565452 [1,0,0,1,0,0|0,1,0]=3 3007 B6R1.4 NN1CCC1=O MCULE-6200802911 [1,0,0,1,0,0|2,0,0]=4 3008 B6R1.4 NN1CCC1=O MCULE-8249778821 [1,0,0,1,0,0|2,0,0]=4 3009 B6R1.4 N[C@@H]1CC[C@H]1N MCULE-6204977772 [1,0,0,1,0,0|1,0,1]=4 3010 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [1,0,0,1,0,0|1,0,0]=3 3011 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [1,0,0,1,0,0|1,0,0]=3 3012 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [1,0,0,1,0,0|1,0,0]=3 3013 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [1,0,0,1,0,0|1,0,0]=3 3014 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [1,0,0,1,0,0|0,1,0]=3 3015 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [1,0,0,1,0,0|0,1,0]=3 3016 B6R1.4 N[C@H]1CC[C@@H]1N MCULE-3551063683 [1,0,0,1,0,0|1,0,1]=4 3017 B6R1.4 N[C@H]1CC[C@H]1N MCULE-2823061893 [1,0,0,1,0,0|1,0,1]=4 3018 B6R1.4 N[C@H]1CC[C@H]1N MCULE-6752412872 [1,0,0,1,0,0|1,0,1]=4 3019 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [1,0,0,1,0,0|1,0,0]=3 3020 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [1,0,0,1,0,0|1,0,0]=3 3021 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [1,0,0,1,0,0|1,0,0]=3 3022 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [1,0,0,1,0,0|1,0,0]=3 3023 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [1,0,0,1,0,0|0,1,0]=3 3024 B6R1.4 O=C1CCC1Br MCULE-1088592133 [1,0,0,1,0,0|2,0,0]=4 3025 B6R1.4 O=C1CCC1F MCULE-6197375881 [1,0,0,1,0,0|2,0,0]=4 3026 B6R1.4 O=C1CCC1O MCULE-1248327203 [1,0,0,1,0,0|2,0,0]=4 3027 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [1,0,0,1,0,0|2,0,0]=4 3028 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [1,0,0,1,0,0|0,1,0]=3 3029 B6R1.6 NCC1CCN1 MCULE-4988917629 [1,0,0,1,0,0|1,0,1]=4 3030 B6R1.6 NCC1CCN1 MCULE-5495577627 [1,0,0,1,0,0|1,0,1]=4 3031 B6R1.6 NCC1CCN1 MCULE-7749596260 [1,0,0,1,0,0|1,0,1]=4 3032 B6R1.6 NCC1CSC1 MCULE-2317140221 [1,0,0,1,0,0|1,0,1]=4 3033 B6R1.6 NCC1CSC1 MCULE-2885312159 [1,0,0,1,0,0|1,0,1]=4 3034 B6R1.6 NC[C@H]1CCN1 MCULE-2270552795 [1,0,0,1,0,0|1,0,1]=4 3035 B6R1.6 NC[C@H]1CCN1 MCULE-2882990554 [1,0,0,1,0,0|1,0,1]=4 3036 B6R1.6 NNC1CSC1 MCULE-2341298971 [1,0,0,1,0,0|2,0,0]=4 3037 B6R1.6 NNC1CSC1 MCULE-6513117263 [1,0,0,1,0,0|2,0,0]=4 3038 B6R1.6 NNC1CSC1 MCULE-9957779440 [1,0,0,1,0,0|2,0,0]=4 3039 B6R1.6 O=CC1CCC1 MCULE-8678026416 [1,0,0,1,0,0|2,0,0]=4 3040 B6R1.6 O=CC1COC1 MCULE-3773699476 [1,0,0,1,0,0|1,1,0]=4 3041 B6R1.6 O=CC1CSC1 MCULE-2648443908 [1,0,0,1,0,0|1,0,0]=3 3042 B6R1.7 CC1(CC1)C=O MCULE-3651219428 [1,0,0,1,0,0|2,0,0]=4 3043 B6R1.7 NCC1(CC1)N MCULE-4980820376 [1,0,0,1,0,0|1,0,1]=4 3044 B6R1.7 NCC1(CC1)N MCULE-7033999881 [1,0,0,1,0,0|1,0,1]=4 3045 B6R1.7 O=CC1(CC1)F MCULE-5455667660 [1,0,0,1,0,0|2,0,0]=4 3046 B8R1.1 C1(CNC(=O)C1)CN MCULE-6663370335 [0,0,0,1,0,1|2,0,0]=4 3047 B8R1.1 C1(CNC(=O)C1)CN MCULE-8237162259 [0,0,0,1,0,1|2,0,0]=4 3048 B8R1.1 C1(CNC(=O)O1)CO MCULE-2451079587 [0,0,0,1,0,1|1,1,0]=4 3049 B8R1.1 CCC1CNC(=O)C1 MCULE-1800672545 [0,0,0,1,0,1|2,0,0]=4 3050 B8R1.1 CCC1CNC(=O)O1 MCULE-9388725409 [0,0,0,1,0,1|2,0,0]=4 3051 B8R1.1 NCC1=CC(=O)NN1 MCULE-2068219702 [0,0,0,1,0,1|1,0,1]=4 3052 B8R1.1 NCC1=CC(=O)NN1 MCULE-4411713656 [0,0,0,1,0,1|1,0,1]=4 3053 B8R1.1 NCC1=NC(=O)NN1 MCULE-6464332306 [0,0,0,1,0,1|1,0,1]=4 3054 B8R1.1 NCC1=NC(=O)NN1 MCULE-6937139732 [0,0,0,1,0,1|1,0,1]=4 3055 B8R1.1 NCC1CNC(=O)C1 MCULE-2522987651 [0,0,0,1,0,1|2,0,0]=4 3056 B8R1.1 NCC1CNC(=O)C1 MCULE-7249550892 [0,0,0,1,0,1|2,0,0]=4 3057 B8R1.1 NCC1CNC(=O)C1 MCULE-7253893960 [0,0,0,1,0,1|2,0,0]=4 3058 B8R1.1 NCC1CNC(=O)O1 MCULE-3940030823 [0,0,0,1,0,1|2,0,0]=4 3059 B8R1.1 NCC1CNC(=O)O1 MCULE-7671055394 [0,0,0,1,0,1|2,0,0]=4 3060 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-1184474214 [0,0,0,1,0,1|2,0,0]=4 3061 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-2421452869 [0,0,0,1,0,1|2,0,0]=4 3062 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-3903743084 [0,0,0,1,0,1|2,0,0]=4 3063 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-9080425518 [0,0,0,1,0,1|2,0,0]=4 3064 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-1463241001 [0,0,0,1,0,1|2,0,0]=4 3065 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-3217887113 [0,0,0,1,0,1|2,0,0]=4 3066 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-5423398321 [0,0,0,1,0,1|2,0,0]=4 3067 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-9322185538 [0,0,0,1,0,1|2,0,0]=4 3068 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-7212975165 [0,0,0,1,0,1|2,0,0]=4 3069 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8203034485 [0,0,0,1,0,1|2,0,0]=4 3070 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8803246698 [0,0,0,1,0,1|2,0,0]=4 3071 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-9580224880 [0,0,0,1,0,1|2,0,0]=4 3072 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-1224919034 [0,0,0,1,0,1|2,0,0]=4 3073 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6003746665 [0,0,0,1,0,1|2,0,0]=4 3074 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6937146715 [0,0,0,1,0,1|2,0,0]=4 3075 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-9419881517 [0,0,0,1,0,1|2,0,0]=4 3076 B8R1.1 O=C1CC(CN1)CBr MCULE-1780879209 [0,0,0,1,0,1|2,0,0]=4 3077 B8R1.1 O=C1CC(CN1)CO MCULE-8619053563 [0,0,0,1,0,1|1,1,0]=4 3078 B8R1.1 O=C1C[C@@H](CN1)CO MCULE-5572559100 [0,0,0,1,0,1|1,1,0]=4 3079 B8R1.1 O=C1C[C@H](CN1)CO MCULE-4450345453 [0,0,0,1,0,1|1,1,0]=4 3080 B8R1.1 O=C1N=C(NN1)CO MCULE-7949275954 [0,0,0,1,0,1|0,1,1]=4 3081 B8R1.1 O=C1NCC(O1)CBr MCULE-3294572412 [0,0,0,1,0,1|2,0,0]=4 3082 B8R1.1 O=C1NCC(O1)CCl MCULE-6711754093 [0,0,0,1,0,1|2,0,0]=4 3083 B8R1.1 O=C1NCC(O1)CCl MCULE-6847066968 [0,0,0,1,0,1|2,0,0]=4 3084 B8R1.1 O=C1NCC(O1)CO MCULE-8225938772 [0,0,0,1,0,1|1,1,0]=4 3085 B8R1.1 O=C1NCC(S1)CBr MCULE-9963419555 [0,0,0,1,0,1|2,0,0]=4 3086 B8R1.1 O=C1NC[C@@H](O1)CCl MCULE-4606501061 [0,0,0,1,0,1|2,0,0]=4 3087 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-4749906822 [0,0,0,1,0,1|1,1,0]=4 3088 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-7879354917 [0,0,0,1,0,1|1,1,0]=4 3089 B8R1.1 O=C1NC[C@H](O1)CCl MCULE-1912687608 [0,0,0,1,0,1|2,0,0]=4 3090 B8R1.1 O=C1NC[C@H](O1)CO MCULE-2698871687 [0,0,0,1,0,1|1,1,0]=4 3091 B8R1.1 O=C1NC[C@H](O1)CO MCULE-5771560221 [0,0,0,1,0,1|1,1,0]=4 3092 B8R1.1 O=C1NN=C(N1)CS MCULE-7569672257 [0,0,0,1,0,1|0,0,2]=4 3093 B8R1.1 [C@H]1(CNC(=O)O1)CCl MCULE-6032247892 [0,0,0,1,0,1|2,0,0]=4 3094 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,0,0,1,0,1|2,0,0]=4 3095 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [0,0,0,1,0,1|2,0,0]=4 3096 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,0,0,1,0,1|2,0,0]=4 3097 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,0,0,1,0,1|2,0,0]=4 3098 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,0,0,1,0,1|2,0,0]=4 3099 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,0,0,1,0,1|1,0,0]=3 3100 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,0,0,1,0,1|1,0,0]=3 3101 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,0,0,1,0,1|1,0,0]=3 3102 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,0,0,1,0,1|1,0,0]=3 3103 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,0,0,1,0,1|1,1,0]=4 3104 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,0,0,1,0,1|1,1,0]=4 3105 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,0,0,1,0,1|2,0,0]=4 3106 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,0,0,1,0,1|1,0,0]=3 3107 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,0,0,1,0,1|1,1,0]=4 3108 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,0,0,1,0,1|1,1,0]=4 3109 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,0,0,1,0,1|2,0,0]=4 3110 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,0,0,1,0,1|1,0,0]=3 3111 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,0,0,1,0,1|1,0,0]=3 3112 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,0,0,1,0,1|1,0,0]=3 3113 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,0,0,1,0,1|2,0,0]=4 3114 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,0,0,1,0,1|2,0,0]=4 3115 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,0,0,1,0,1|2,0,0]=4 3116 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,0,0,1,0,1|2,0,0]=4 3117 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,0,0,1,0,1|2,0,0]=4 3118 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,0,0,1,0,1|2,0,0]=4 3119 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,0,0,1,0,1|2,0,0]=4 3120 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,0,0,1,0,1|2,0,0]=4 3121 B8R1.18 CC1NC(=O)CC1O MCULE-6370955032 [0,0,0,1,0,1|2,0,0]=4 3122 B8R1.18 CC1NC(=O)OC1C MCULE-5204749893 [0,0,0,1,0,1|2,0,0]=4 3123 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O MCULE-5647492108 [0,0,0,1,0,1|2,0,0]=4 3124 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,0,0,1,0,1|0,1,1]=4 3125 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,0,0,1,0,1|0,1,1]=4 3126 B8R1.18 NC1SC(=O)NC1=O MCULE-8460816262 [0,0,0,1,0,1|0,1,1]=4 3127 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,0,0,1,0,1|0,1,1]=4 3128 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,0,0,1,0,1|0,1,1]=4 3129 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,0,0,1,0,1|0,1,1]=4 3130 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,0,0,1,0,1|0,1,1]=4 3131 B8R1.18 O=C1NC(C(N1)O)O MCULE-4925329931 [0,0,0,1,0,1|1,1,0]=4 3132 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [0,0,0,1,0,1|2,0,0]=4 3133 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [0,0,0,1,0,1|2,0,0]=4 3134 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [0,0,0,1,0,1|2,0,0]=4 3135 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [0,0,0,1,0,1|2,0,0]=4 3136 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [0,0,0,1,0,1|2,0,0]=4 3137 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [0,0,0,1,0,1|2,0,0]=4 3138 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [0,0,0,1,0,1|2,0,0]=4 3139 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [0,0,0,1,0,1|2,0,0]=4 3140 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [0,0,0,1,0,1|2,0,0]=4 3141 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [0,0,0,1,0,1|2,0,0]=4 3142 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [0,0,0,1,0,1|2,0,0]=4 3143 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [0,0,0,1,0,1|2,0,0]=4 3144 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [0,0,0,1,0,1|2,0,0]=4 3145 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [0,0,0,1,0,1|2,0,0]=4 3146 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [0,0,0,1,0,1|2,0,0]=4 3147 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [0,0,0,1,0,1|2,0,0]=4 3148 B8R1.34 NC(=O)CC1CNC1 MCULE-3085452095 [0,0,0,1,0,1|2,0,0]=4 3149 B8R1.34 NC(=O)CC1CNC1 MCULE-7868797282 [0,0,0,1,0,1|2,0,0]=4 3150 B8R1.34 NC(=O)NC1CCC1 MCULE-4153424610 [0,0,0,1,0,1|2,0,0]=4 3151 B8R1.34 NC(=O)OC1CNC1 MCULE-1968679475 [0,0,0,1,0,1|2,0,0]=4 3152 B8R1.34 NC(=O)OC1CNC1 MCULE-9969958473 [0,0,0,1,0,1|2,0,0]=4 3153 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [0,0,0,1,0,1|2,0,0]=4 3154 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [0,0,0,1,0,1|2,0,0]=4 3155 B8R1.42 CC1(CC1)NC(=O)N MCULE-2689884910 [0,0,0,1,0,1|2,0,0]=4 3156 B8R1.42 NC1(CC1)CC(=O)O MCULE-3593224967 [0,0,0,1,0,1|2,0,0]=4 3157 B8R1.42 NC1(CC1)CC(=O)O MCULE-8049209917 [0,0,0,1,0,1|2,0,0]=4 3158 B8R1.43 NC(=O)C1CC1CO MCULE-3191620985 [0,0,0,1,0,1|1,1,0]=4 3159 B8R1.62 CC1(CC(=O)N1)CCl MCULE-7182920776 [0,0,0,1,0,1|2,0,0]=4 3160 B8R1.5 CC1CCCNC1=O MCULE-5295531632 [0,1,0,1,0,0|2,0,0]=4 3161 B8R1.5 CC1CCNCC1=O MCULE-8618050685 [0,1,0,1,0,0|2,0,0]=4 3162 B8R1.5 CC1CCNCC1=O MCULE-9238977073 [0,1,0,1,0,0|2,0,0]=4 3163 B8R1.5 CC1CSCCC1=O MCULE-4565033608 [0,1,0,1,0,0|2,0,0]=4 3164 B8R1.5 CC1NCCNC1=O MCULE-3078767867 [0,1,0,1,0,0|2,0,0]=4 3165 B8R1.5 CC1NCCNC1=O MCULE-9884862705 [0,1,0,1,0,0|2,0,0]=4 3166 B8R1.5 CC1OCCNC1=O MCULE-8812176499 [0,1,0,1,0,0|2,0,0]=4 3167 B8R1.5 CC1SCCNC1=O MCULE-1825894745 [0,1,0,1,0,0|2,0,0]=4 3168 B8R1.5 C[C@@H]1NCCNC1=O MCULE-1719923601 [0,1,0,1,0,0|2,0,0]=4 3169 B8R1.5 C[C@@H]1NCCNC1=O MCULE-3211216058 [0,1,0,1,0,0|2,0,0]=4 3170 B8R1.5 C[C@@H]1NCCNC1=O MCULE-4268624973 [0,1,0,1,0,0|2,0,0]=4 3171 B8R1.5 C[C@H]1NCCNC1=O MCULE-1350777729 [0,1,0,1,0,0|2,0,0]=4 3172 B8R1.5 C[C@H]1NCCNC1=O MCULE-3433713206 [0,1,0,1,0,0|2,0,0]=4 3173 B8R1.5 C[C@H]1NCCNC1=O MCULE-6014092524 [0,1,0,1,0,0|2,0,0]=4 3174 B8R1.5 NC1CCCCC1=O MCULE-2382898926 [0,1,0,1,0,0|2,0,0]=4 3175 B8R1.5 NC1CCCCC1=O MCULE-9230455128 [0,1,0,1,0,0|2,0,0]=4 3176 B8R1.5 NC1CCCNC1=O MCULE-2560564171 [0,1,0,1,0,0|1,0,0]=3 3177 B8R1.5 NC1CCCNC1=O MCULE-4494449620 [0,1,0,1,0,0|1,0,0]=3 3178 B8R1.5 NC1CCCNC1=O MCULE-7473475906 [0,1,0,1,0,0|1,0,0]=3 3179 B8R1.5 NC1CCCNC1=O MCULE-8288645102 [0,1,0,1,0,0|1,0,0]=3 3180 B8R1.5 NC1COCCC1=O MCULE-2621905094 [0,1,0,1,0,0|1,1,0]=4 3181 B8R1.5 NC1COCCC1=O MCULE-5417580672 [0,1,0,1,0,0|1,1,0]=4 3182 B8R1.5 NN1CCCNC1=O MCULE-1690172508 [0,1,0,1,0,0|2,0,0]=4 3183 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2058435105 [0,1,0,1,0,0|1,0,0]=3 3184 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2444659445 [0,1,0,1,0,0|1,0,0]=3 3185 B8R1.5 N[C@@H]1CCCNC1=O MCULE-3005560472 [0,1,0,1,0,0|1,0,0]=3 3186 B8R1.5 N[C@@H]1CCCNC1=O MCULE-6935410876 [0,1,0,1,0,0|1,0,0]=3 3187 B8R1.5 N[C@H]1CCCNC1=O MCULE-1247931890 [0,1,0,1,0,0|1,0,0]=3 3188 B8R1.5 N[C@H]1CCCNC1=O MCULE-2425510086 [0,1,0,1,0,0|1,0,0]=3 3189 B8R1.5 N[C@H]1CCCNC1=O MCULE-6121950966 [0,1,0,1,0,0|1,0,0]=3 3190 B8R1.5 N[C@H]1CCCNC1=O MCULE-7701042199 [0,1,0,1,0,0|1,0,0]=3 3191 B8R1.5 O=C1NCCCC1Br MCULE-1860833784 [0,1,0,1,0,0|2,0,0]=4 3192 B8R1.5 O=C1NCCCC1O MCULE-4922755542 [0,1,0,1,0,0|2,0,0]=4 3193 B8R1.5 O=C1NCCC[C@@H]1O MCULE-2813817931 [0,1,0,1,0,0|2,0,0]=4 3194 B8R1.5 O=C1NCCC[C@@H]1O MCULE-3354550946 [0,1,0,1,0,0|2,0,0]=4 3195 B8R1.5 O=C1NCCC[C@H]1O MCULE-2892218765 [0,1,0,1,0,0|2,0,0]=4 3196 B8R1.5 O=C1NCCC[C@H]1O MCULE-8394704933 [0,1,0,1,0,0|2,0,0]=4 3197 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [0,1,0,1,0,0|1,0,0]=3 3198 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [0,1,0,1,0,0|1,0,0]=3 3199 B8R1.7 C1(CCNC1)C(=O)N MCULE-4476688014 [0,1,0,1,0,0|1,0,0]=3 3200 B8R1.7 C1(CCNC1)C(=O)N MCULE-8592806332 [0,1,0,1,0,0|1,0,0]=3 3201 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [0,1,0,1,0,0|2,0,0]=4 3202 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [0,1,0,1,0,0|2,0,0]=4 3203 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [0,1,0,1,0,0|2,0,0]=4 3204 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [0,1,0,1,0,0|2,0,0]=4 3205 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [0,1,0,1,0,0|2,0,0]=4 3206 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [0,1,0,1,0,0|2,0,0]=4 3207 B8R1.7 CC(=O)C1NCCS1 MCULE-4092674646 [0,1,0,1,0,0|2,0,0]=4 3208 B8R1.7 CC(=O)C1NCCS1 MCULE-8660367055 [0,1,0,1,0,0|2,0,0]=4 3209 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [0,1,0,1,0,0|2,0,0]=4 3210 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [0,1,0,1,0,0|2,0,0]=4 3211 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [0,1,0,1,0,0|2,0,0]=4 3212 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [0,1,0,1,0,0|2,0,0]=4 3213 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [0,1,0,1,0,0|2,0,0]=4 3214 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [0,1,0,1,0,0|2,0,0]=4 3215 B8R1.7 N=C(N)C1CCCN1 MCULE-3357684433 [0,1,0,1,0,0|2,0,0]=4 3216 B8R1.7 N=C(N)C1CCCN1 MCULE-7506606085 [0,1,0,1,0,0|2,0,0]=4 3217 B8R1.7 NC(=O)C1=NCCN1 MCULE-8784849906 [0,1,0,1,0,0|1,0,1]=4 3218 B8R1.7 NC(=O)C1CC=CC1 MCULE-5556484257 [0,1,0,1,0,0|2,0,0]=4 3219 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [0,1,0,1,0,0|2,0,0]=4 3220 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [0,1,0,1,0,0|1,0,0]=3 3221 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [0,1,0,1,0,0|1,0,0]=3 3222 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [0,1,0,1,0,0|2,0,0]=4 3223 B8R1.7 NC(=O)C1CCNC1 MCULE-6035608651 [0,1,0,1,0,0|1,0,0]=3 3224 B8R1.7 NC(=O)C1CCNC1 MCULE-8602888952 [0,1,0,1,0,0|1,0,0]=3 3225 B8R1.7 NC(=O)C1CCOC1 MCULE-7120435380 [0,1,0,1,0,0|1,1,0]=4 3226 B8R1.7 NC(=O)C1CSCN1 MCULE-7557874523 [0,1,0,1,0,0|0,0,0]=2 3227 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-2894820708 [0,1,0,1,0,0|1,0,1]=4 3228 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-3478764941 [0,1,0,1,0,0|1,0,1]=4 3229 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-6696620969 [0,1,0,1,0,0|1,0,1]=4 3230 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-7629009072 [0,1,0,1,0,0|1,0,1]=4 3231 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [0,1,0,1,0,0|1,0,0]=3 3232 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [0,1,0,1,0,0|1,0,0]=3 3233 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [0,1,0,1,0,0|1,0,0]=3 3234 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [0,1,0,1,0,0|1,0,0]=3 3235 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [0,1,0,1,0,0|2,0,0]=4 3236 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [0,1,0,1,0,0|2,0,0]=4 3237 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1320057579 [0,1,0,1,0,0|1,0,0]=3 3238 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1678228480 [0,1,0,1,0,0|1,0,0]=3 3239 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-3340066069 [0,1,0,1,0,0|1,0,0]=3 3240 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-8833406496 [0,1,0,1,0,0|1,0,0]=3 3241 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [0,1,0,1,0,0|1,0,0]=3 3242 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [0,1,0,1,0,0|1,0,0]=3 3243 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [0,1,0,1,0,0|1,0,0]=3 3244 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [0,1,0,1,0,0|1,0,0]=3 3245 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-1673594093 [0,1,0,1,0,0|1,0,0]=3 3246 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-6725123306 [0,1,0,1,0,0|1,0,0]=3 3247 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-7222756259 [0,1,0,1,0,0|1,0,0]=3 3248 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-8100234071 [0,1,0,1,0,0|1,0,0]=3 3249 B8R1.7 NC(=O)[C@H]1CCOC1 MCULE-1231475693 [0,1,0,1,0,0|1,1,0]=4 3250 B8R1.7 NC(=S)C1CCNC1 MCULE-4169836111 [0,1,0,1,0,0|1,1,0]=4 3251 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [0,1,0,1,0,0|2,0,0]=4 3252 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [0,1,0,1,0,0|2,0,0]=4 3253 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [0,1,0,1,0,0|2,0,0]=4 3254 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [0,1,0,1,0,0|2,0,0]=4 3255 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [0,1,0,1,0,0|2,0,0]=4 3256 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [0,1,0,1,0,0|2,0,0]=4 3257 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [0,1,0,1,0,0|2,0,0]=4 3258 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [0,1,0,1,0,0|2,0,0]=4 3259 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [0,1,0,1,0,0|1,1,0]=4 3260 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [0,1,0,1,0,0|1,1,0]=4 3261 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [0,1,0,1,0,0|1,0,0]=3 3262 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [0,1,0,1,0,0|1,0,0]=3 3263 B8R1.7 O=C(O)C1CSSC1 MCULE-8231952386 [0,1,0,1,0,0|2,0,0]=4 3264 B8R1.7 O=C(O)C1NCCS1 MCULE-2504435743 [0,1,0,1,0,0|2,0,0]=4 3265 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [0,1,0,1,0,0|2,0,0]=4 3266 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [0,1,0,1,0,0|2,0,0]=4 3267 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [0,1,0,1,0,0|2,0,0]=4 3268 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [0,1,0,1,0,0|2,0,0]=4 3269 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [0,1,0,1,0,0|2,0,0]=4 3270 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [0,1,0,1,0,0|2,0,0]=4 3271 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [0,1,0,1,0,0|2,0,0]=4 3272 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [0,1,0,1,0,0|2,0,0]=4 3273 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [0,1,0,1,0,0|1,1,0]=4 3274 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [0,1,0,1,0,0|1,1,0]=4 3275 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [0,1,0,1,0,0|1,1,0]=4 3276 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [0,1,0,1,0,0|1,1,0]=4 3277 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [0,1,0,1,0,0|1,0,0]=3 3278 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [0,1,0,1,0,0|1,0,0]=3 3279 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [0,1,0,1,0,0|2,0,0]=4 3280 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [0,1,0,1,0,0|2,0,0]=4 3281 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [0,1,0,1,0,0|2,0,0]=4 3282 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [0,1,0,1,0,0|2,0,0]=4 3283 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [0,1,0,1,0,0|2,0,0]=4 3284 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [0,1,0,1,0,0|2,0,0]=4 3285 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [0,1,0,1,0,0|1,0,0]=3 3286 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [0,1,0,1,0,0|1,0,0]=3 3287 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [0,1,0,1,0,0|2,0,0]=4 3288 B8R1.7 O=C([O-])C1CSCN1 MCULE-9836043803 [0,1,0,1,0,0|1,0,0]=3 3289 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [0,1,0,1,0,0|2,0,0]=4 3290 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [0,1,0,1,0,0|2,0,0]=4 3291 B8R1.7 [C@@H]1(CSCN1)C(=O)[O-] MCULE-3895380806 [0,1,0,1,0,0|1,0,0]=3 3292 B8R1.19 CC1(CCNC1=O)C MCULE-6714447777 [0,1,0,1,0,0|2,0,0]=4 3293 B8R1.19 CC1(CCNC1=O)C MCULE-7206545498 [0,1,0,1,0,0|2,0,0]=4 3294 B8R1.19 CC1(CCNC1=O)N MCULE-2999548291 [0,1,0,1,0,0|1,0,0]=3 3295 B8R1.19 CC1(CCNC1=O)O MCULE-2802989638 [0,1,0,1,0,0|2,0,0]=4 3296 B8R1.19 CC1(CCOC1=O)N MCULE-5332143573 [0,1,0,1,0,0|2,0,0]=4 3297 B8R1.19 CC1(CCOC1=O)N MCULE-6557455932 [0,1,0,1,0,0|2,0,0]=4 3298 B8R1.19 CC1(CONC1=O)C MCULE-5889106208 [0,1,0,1,0,0|1,1,0]=4 3299 B8R1.19 O=C1NCCC1(F)F MCULE-6135502988 [0,1,0,1,0,0|2,0,0]=4 3300 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,1,0,1,0,0|1,1,0]=4 3301 B8R1.23 C=C1CC(C1)C(=O)N MCULE-9592937262 [0,1,0,1,0,0|2,0,0]=4 3302 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,1,0,1,0,0|2,0,0]=4 3303 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,1,0,1,0,0|2,0,0]=4 3304 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,1,0,1,0,0|2,0,0]=4 3305 B8R1.23 NC(=O)C1CC(C1)N MCULE-5148844906 [0,1,0,1,0,0|2,0,0]=4 3306 B8R1.23 NC(=O)C1CC(C1)N MCULE-6769121107 [0,1,0,1,0,0|2,0,0]=4 3307 B8R1.23 NC(=O)C1CC(C1)O MCULE-5735068093 [0,1,0,1,0,0|1,1,0]=4 3308 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,1,0,1,0,0|1,1,0]=4 3309 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,1,0,1,0,0|1,1,0]=4 3310 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,1,0,1,0,0|1,1,0]=4 3311 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,1,0,1,0,0|1,1,0]=4 3312 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,1,0,1,0,0|1,1,0]=4 3313 B8R1.54 C(N)(C(=O)O)C1CC1 MCULE-4833544032 [0,1,0,1,0,0|2,0,0]=4 3314 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5863587661 [0,1,0,1,0,0|1,0,0]=3 3315 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5987826744 [0,1,0,1,0,0|1,0,0]=3 3316 B8R1.54 NC(=O)C(O)C1CC1 MCULE-4055290448 [0,1,0,1,0,0|2,0,0]=4 3317 B8R1.54 NC(C(=O)O)C1CC1 MCULE-1974514713 [0,1,0,1,0,0|2,0,0]=4 3318 B8R1.54 NC(C(=O)O)C1CC1 MCULE-3126466096 [0,1,0,1,0,0|2,0,0]=4 3319 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-5662004537 [0,1,0,1,0,0|2,0,0]=4 3320 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-9004548949 [0,1,0,1,0,0|2,0,0]=4 3321 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-4323013494 [0,1,0,1,0,0|2,0,0]=4 3322 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-9475774396 [0,1,0,1,0,0|2,0,0]=4 3323 B8R1.78 CC1(CNC1)C(=O)N MCULE-5961415095 [0,1,0,1,0,0|2,0,0]=4 3324 B8R1.78 CC1(CNC1)C(=O)N MCULE-6950504484 [0,1,0,1,0,0|2,0,0]=4 3325 B8R1.78 NC(=O)C1(CCC1)Br MCULE-3386940591 [0,1,0,1,0,0|2,0,0]=4 3326 B8R1.78 NC(=O)C1(CCC1)N MCULE-1043802844 [0,1,0,1,0,0|1,0,0]=3 3327 B8R1.78 NC(=O)C1(CCC1)N MCULE-8757108427 [0,1,0,1,0,0|1,0,0]=3 3328 B8R1.78 NC(=O)C1(CCC1)O MCULE-9017924933 [0,1,0,1,0,0|2,0,0]=4 3329 B8R1.78 NC(=O)C1(CNC1)O MCULE-4705401931 [0,1,0,1,0,0|2,0,0]=4 3330 B8R1.78 NC(=O)C1(CNC1)O MCULE-6961987506 [0,1,0,1,0,0|2,0,0]=4 3331 B8R1.78 NC(=O)C1(COC1)N MCULE-1019126091 [0,1,0,1,0,0|0,1,0]=3 3332 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-4330568570 [0,1,0,1,0,0|2,0,0]=4 3333 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-9506658674 [0,1,0,1,0,0|2,0,0]=4 3334 B8R1.78 NC1(CCC1)C(=O)O MCULE-7741753062 [0,1,0,1,0,0|2,0,0]=4 3335 B8R1.78 NC1(CCC1)C(=O)O MCULE-8986168461 [0,1,0,1,0,0|2,0,0]=4 3336 B8R1.78 NC1(CNC1)C(=O)O MCULE-1078717796 [0,1,0,1,0,0|2,0,0]=4 3337 B8R1.78 NC1(CNC1)C(=O)O MCULE-1597584418 [0,1,0,1,0,0|2,0,0]=4 3338 B8R1.78 NC1(COC1)C(=O)O MCULE-2048452241 [0,1,0,1,0,0|1,1,0]=4 3339 B8R1.78 NC1(CSC1)C(=O)O MCULE-3865165435 [0,1,0,1,0,0|1,0,0]=3 3340 B8R1.78 NC1(CSC1)C(=O)O MCULE-7335919130 [0,1,0,1,0,0|1,0,0]=3 3341 B8R1.11 CCC1CCNC1=O MCULE-8307536027 [0,1,0,1,0,0|2,0,0]=4 3342 B8R1.11 CNC1CCNC1=O MCULE-1302732570 [0,1,0,1,0,0|1,0,0]=3 3343 B8R1.11 CNC1CCNC1=O MCULE-7065523709 [0,1,0,1,0,0|1,0,0]=3 3344 B8R1.11 N#CC1CSCC1=O MCULE-5156436630 [0,1,0,1,0,0|1,0,1]=4 3345 B8R1.11 N#C[C@H]1CSCC1=O MCULE-1823296344 [0,1,0,1,0,0|1,0,1]=4 3346 B8R1.11 NCC1CCCC1=O MCULE-4144323636 [0,1,0,1,0,0|2,0,0]=4 3347 B8R1.11 NCC1CCCC1=O MCULE-8761719757 [0,1,0,1,0,0|2,0,0]=4 3348 B8R1.11 NCC1CCOC1=O MCULE-5843107965 [0,1,0,1,0,0|2,0,0]=4 3349 B8R1.11 NCC1CCOC1=O MCULE-6077637171 [0,1,0,1,0,0|2,0,0]=4 3350 B8R1.11 NOC1CCOC1=O MCULE-1912651031 [0,1,0,1,0,0|2,0,0]=4 3351 B8R1.11 O=C1NCCC1CO MCULE-8442279545 [0,1,0,1,0,0|1,1,0]=4 3352 B8R1.11 O=C1NCC[C@@H]1CO MCULE-5339343040 [0,1,0,1,0,0|1,1,0]=4 3353 B8R1.38 C1(CCN1)C(=O)OC MCULE-4001628620 [0,1,0,1,0,0|2,0,0]=4 3354 B8R1.38 C1(CCN1)C(=O)OC MCULE-6304194058 [0,1,0,1,0,0|2,0,0]=4 3355 B8R1.38 CNC(=O)C1CCC1 MCULE-7934051142 [0,1,0,1,0,0|2,0,0]=4 3356 B8R1.38 CNC(=O)C1CNC1 MCULE-1757312789 [0,1,0,1,0,0|2,0,0]=4 3357 B8R1.38 CNC(=O)C1CNC1 MCULE-5774189315 [0,1,0,1,0,0|2,0,0]=4 3358 B8R1.38 CNC(=O)C1CNC1 MCULE-8342593933 [0,1,0,1,0,0|2,0,0]=4 3359 B8R1.38 COC(=O)C1CCN1 MCULE-2766647683 [0,1,0,1,0,0|2,0,0]=4 3360 B8R1.38 COC(=O)C1CCN1 MCULE-6440918459 [0,1,0,1,0,0|2,0,0]=4 3361 B8R1.38 COC(=O)C1CCN1 MCULE-6964468849 [0,1,0,1,0,0|2,0,0]=4 3362 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-4539844768 [0,1,0,1,0,0|2,0,0]=4 3363 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-5257592845 [0,1,0,1,0,0|2,0,0]=4 3364 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-7483834256 [0,1,0,1,0,0|2,0,0]=4 3365 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-7502882004 [0,1,0,1,0,0|2,0,0]=4 3366 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-1944761309 [0,1,0,1,0,0|2,0,0]=4 3367 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-2075005250 [0,1,0,1,0,0|2,0,0]=4 3368 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-5626630564 [0,1,0,1,0,0|2,0,0]=4 3369 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-8309542560 [0,1,0,1,0,0|2,0,0]=4 3370 B8R1.38 NCC(=O)C1CCC1 MCULE-2102604629 [0,1,0,1,0,0|2,0,0]=4 3371 B8R1.38 NCC(=O)C1CCC1 MCULE-5571071703 [0,1,0,1,0,0|2,0,0]=4 3372 B8R1.38 NNC(=O)C1CCC1 MCULE-3104625459 [0,1,0,1,0,0|2,0,0]=4 3373 B8R1.38 O=C(NO)C1CCC1 MCULE-5722727330 [0,1,0,1,0,0|2,0,0]=4 3374 B8R1.39 CC1(CC1)C(=O)CN MCULE-2015892200 [0,1,0,1,0,0|2,0,0]=4 3375 B8R1.39 CC1(CC1)C(=O)NN MCULE-2792690923 [0,1,0,1,0,0|2,0,0]=4 3376 B8R1.39 CNC(=O)C1(CC1)N MCULE-5670276563 [0,1,0,1,0,0|1,0,0]=3 3377 B8R1.39 COC(=O)C1(CC1)N MCULE-7742849761 [0,1,0,1,0,0|2,0,0]=4 3378 B8R1.39 COC(=O)C1(CC1)N MCULE-8414845491 [0,1,0,1,0,0|2,0,0]=4 3379 B8R1.39 NNC(=O)C1(CC1)O MCULE-4091057496 [0,1,0,1,0,0|2,0,0]=4 3380 B8R1.50 CC1CCN(C1=O)C MCULE-1499213360 [0,1,0,1,0,0|2,0,0]=4 3381 B8R1.50 CC1CNC(=O)C1C MCULE-7439537346 [0,1,0,1,0,0|2,0,0]=4 3382 B8R1.50 CN1CCC(C1=O)Br MCULE-9857530514 [0,1,0,1,0,0|2,0,0]=4 3383 B8R1.50 CN1CCC(C1=O)Cl MCULE-5732339719 [0,1,0,1,0,0|2,0,0]=4 3384 B8R1.50 CN1CCC(C1=O)N MCULE-2896853309 [0,1,0,1,0,0|1,0,0]=3 3385 B8R1.50 CN1CCC(C1=O)N MCULE-5951659989 [0,1,0,1,0,0|1,0,0]=3 3386 B8R1.50 CN1CCC(C1=O)O MCULE-6867263123 [0,1,0,1,0,0|2,0,0]=4 3387 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-3820062607 [0,1,0,1,0,0|1,0,0]=3 3388 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-7270649984 [0,1,0,1,0,0|1,0,0]=3 3389 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-8015311112 [0,1,0,1,0,0|1,0,0]=3 3390 B8R1.50 CN1CC[C@H](C1=O)N MCULE-1278006515 [0,1,0,1,0,0|1,0,0]=3 3391 B8R1.50 CN1CC[C@H](C1=O)N MCULE-3751335664 [0,1,0,1,0,0|1,0,0]=3 3392 B8R1.50 CN1CC[C@H](C1=O)N MCULE-4883949932 [0,1,0,1,0,0|1,0,0]=3 3393 B8R1.50 CN1CC[C@H](C1=O)N MCULE-7143065464 [0,1,0,1,0,0|1,0,0]=3 3394 B8R1.50 NC1CCN(C1=O)O MCULE-3774736319 [0,1,0,1,0,0|1,0,0]=3 3395 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O MCULE-6840872048 [0,1,0,1,0,0|0,1,0]=3 3396 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-1260256164 [0,1,0,1,0,0|1,0,0]=3 3397 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-9067133595 [0,1,0,1,0,0|1,0,0]=3 3398 B8R1.50 N[C@H]1CCN(C1=O)O MCULE-1056806464 [0,1,0,1,0,0|1,0,0]=3 3399 B8R1.63 CNC1(CC1)C(=O)O MCULE-3174431935 [0,1,0,1,0,0|2,0,0]=4 3400 B8R1.63 CNC1(CC1)C(=O)O MCULE-5558985564 [0,1,0,1,0,0|2,0,0]=4 3401 B8R1.63 N#CC1(CC1)C(=O)N MCULE-9087909658 [0,1,0,1,0,0|1,0,1]=4 3402 B8R1.63 NC(=O)C1(CC1)CO MCULE-1137522312 [0,1,0,1,0,0|1,1,0]=4 3403 B8R1.63 NCC1(CC1)C(=O)N MCULE-4765639788 [0,1,0,1,0,0|1,0,0]=3 3404 B8R1.63 NCC1(CC1)C(=O)N MCULE-5417302237 [0,1,0,1,0,0|1,0,0]=3 3405 B8R1.63 NCC1(CC1)C(=O)O MCULE-1804159571 [0,1,0,1,0,0|2,0,0]=4 3406 B8R1.63 NCC1(CC1)C(=O)O MCULE-4552998222 [0,1,0,1,0,0|2,0,0]=4 3407 B8R1.77 C1(CC1(C)C)C(=O)N MCULE-5718477060 [0,1,0,1,0,0|2,0,0]=4 3408 B8R1.77 CC1(CC1C(=O)N)C MCULE-5357702152 [0,1,0,1,0,0|2,0,0]=4 3409 B8R1.77 CC1(C[C@@H]1C(=O)N)C MCULE-5378835991 [0,1,0,1,0,0|2,0,0]=4 3410 B8R1.77 CC1(C[C@@H]1C(=O)N)C MCULE-9161411761 [0,1,0,1,0,0|2,0,0]=4 3411 B8R1.77 NC(=O)C1CC1(Cl)Cl MCULE-8970090284 [0,1,0,1,0,0|2,0,0]=4 3412 B8R1.77 NC(=O)C1CC1(F)F MCULE-4097956705 [0,1,0,1,0,0|2,0,0]=4 3413 B8R1.77 [C@H]1(CC1(C)C)C(=O)N MCULE-6467459637 [0,1,0,1,0,0|2,0,0]=4 3414 B8R2.38 O=C1NCC2C1C2 MCULE-5593114305 [0,0,0,2,0,0|2,0,0]=4 3415 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 MCULE-6438081695 [0,0,0,2,0,0|2,0,0]=4 3416 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [0,0,0,0,0,2|1,1,0]=4 3417 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [0,0,0,0,0,2|1,1,0]=4 3418 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,0,0,0,0,2|2,0,0]=4 3419 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,0,0,0,0,2|2,0,0]=4 3420 B8R0.9 CC[C@H](N)C=CC(=O)O MCULE-8933495159 [0,0,0,0,0,2|2,0,0]=4 3421 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,0,0,0,0,2|2,0,0]=4 3422 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,0,0,0,0,2|2,0,0]=4 3423 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,0,0,0,0,2|2,0,0]=4 3424 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,0,0,0,0,2|1,1,0]=4 3425 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,0,0,0,0,2|1,1,0]=4