0 B9R1.21 C#CC1CCC(C1)CO MCULE-1991499886 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.21 CCN1CCC(C1)CO MCULE-9507301668 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.21 CCN1CC[C@@H](C1)CO MCULE-4701790174 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.21 CCN1CC[C@H](C1)CO MCULE-2438276159 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.21 NCC1CCC(O1)CN MCULE-4000228398 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.21 NC[C@@H]1CC[C@@H](O1)CN MCULE-4187719094 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.21 OCC1CCC(N1)CO MCULE-1103775354 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.21 OCC1CCC(O1)CO MCULE-3334782559 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.21 OCC1CNC(C1)CO MCULE-7672485489 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.21 OCC1CNC(C1)CO MCULE-7965706550 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.21 OC[C@@H]1CC[C@@H](O1)CO MCULE-5217154467 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.1 C1(CCN(C1)C)CO MCULE-8028593286 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.1 C1(CNC(=O)O1)CO MCULE-2451079587 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.1 CC1=NC(CO1)CBr MCULE-4046707435 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.1 CC1CC(CN1)CO MCULE-3385267892 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.1 CC1CC(CN1)CO MCULE-5508438719 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.1 CC1CCC(C1)CN MCULE-9731521461 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.1 CC1CCC(C1)CO MCULE-3130047677 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.1 CC1CCC(N1)CO MCULE-7935473441 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.1 CC1CCC(N1)CO MCULE-8743496847 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.1 CC1CCC(O1)CI MCULE-2805289539 [1,0,0,0,0,0|1,0,0]=2 21 B8R1.1 CC1CCC(O1)CN MCULE-4161233821 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.1 CC1CCC(O1)CO MCULE-1587985152 [1,0,0,0,0,0|1,0,0]=2 23 B8R1.1 CC1CNC(C1)CF MCULE-6699916370 [1,0,0,0,0,0|2,1,0]=4 24 B8R1.1 CC1CNC(C1)CF MCULE-9019063440 [1,0,0,0,0,0|2,1,0]=4 25 B8R1.1 CC1CNC(C1)CO MCULE-2461186712 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.1 CC1CNC(C1)CO MCULE-5209280647 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.1 CC1COC(C1)CO MCULE-4511313299 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.1 CC1OCC(O1)CO MCULE-1328866429 [1,0,0,0,0,0|0,0,0]=1 29 B8R1.1 CCC1CC(CN1)C MCULE-1050977557 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.1 CCC1COC(=N1)C MCULE-1406641220 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.1 CCC1COC(=O)O1 MCULE-5743084846 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.1 CCC1OCC(O1)C MCULE-6723875164 [1,0,0,0,0,0|1,0,0]=2 33 B8R1.1 CN1CCC(C1)CI MCULE-5901809049 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.1 CN1CCC(C1)CO MCULE-8101582241 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.1 CN1CC[C@@H](C1)CO MCULE-3904654758 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.1 CN1CC[C@@H](C1)CO MCULE-5091184467 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.1 CN1CC[C@H](C1)CO MCULE-7548866217 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.1 CN1CC[C@H](C1)CO MCULE-9206143876 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-5635555767 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-7103292821 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-8577607094 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-8853557592 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.1 C[C@@H]1CC[C@@H](O1)CO MCULE-1981408927 [1,0,0,0,0,0|1,0,0]=2 44 B8R1.1 C[C@@H]1CC[C@@H](O1)CO MCULE-2750103072 [1,0,0,0,0,0|1,0,0]=2 45 B8R1.1 C[C@@H]1CN[C@@H](C1)CF MCULE-2959715955 [1,0,0,0,0,0|2,1,0]=4 46 B8R1.1 C[C@@H]1CN[C@@H](C1)CF MCULE-8576921377 [1,0,0,0,0,0|2,1,0]=4 47 B8R1.1 C[C@@H]1CN[C@@H](C1)CO MCULE-1057201942 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.1 C[C@@H]1CN[C@@H](C1)CO MCULE-5251520971 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.1 C[C@H]1CC[C@H](N1)CO MCULE-5943356667 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.1 C[C@H]1CC[C@H](N1)CO MCULE-6303404144 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.1 C[C@H]1CC[C@H](O1)CO MCULE-2585928492 [1,0,0,0,0,0|1,0,0]=2 52 B8R1.1 C[C@H]1CC[C@H](O1)CO MCULE-3715649264 [1,0,0,0,0,0|1,0,0]=2 53 B8R1.1 C[C@H]1CN[C@@H](C1)CO MCULE-3784655204 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.1 C[C@H]1CN[C@@H](C1)CO MCULE-3927798393 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.1 C[C@H]1C[C@@H](CN1)CO MCULE-4062182666 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.1 C[C@H]1C[C@@H](CN1)CO MCULE-6218632921 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.1 NCC1CCC(C1)O MCULE-1780130995 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.1 NCC1CCC(C1)O MCULE-5002398342 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.1 NCC1C[C@H](CN1)O MCULE-1428185082 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.1 NC[C@@H]1CC[C@@H](C1)O MCULE-2662561877 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.1 NC[C@@H]1CC[C@H](C1)O MCULE-9258933196 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-1995293557 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-9517253792 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-5659749587 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-9056303043 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.1 O=C1CCC(O1)CI MCULE-4432096360 [1,0,0,0,0,0|1,0,2]=4 68 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.1 O=C1NC(CO1)CO MCULE-8296379772 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.1 O=C1NC(CO1)CO MCULE-9797812862 [1,0,0,0,0,0|2,0,1]=4 76 B8R1.1 O=C1NCC(O1)CO MCULE-8225938772 [1,0,0,0,0,0|2,0,1]=4 77 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-4749906822 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-7879354917 [1,0,0,0,0,0|2,0,1]=4 79 B8R1.1 O=C1NC[C@H](O1)CO MCULE-2698871687 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.1 O=C1NC[C@H](O1)CO MCULE-5771560221 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-2270288938 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-5533745846 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.1 O=C1N[C@H](CO1)CO MCULE-3186572246 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.1 O=C1N[C@H](CO1)CO MCULE-4534112642 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.1 O=C1OCC(O1)CCl MCULE-7212643481 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.1 O=C1OCC(O1)CF MCULE-2066386250 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [1,0,0,0,0,0|1,0,1]=3 88 B8R1.1 OC1COC(C1)CI MCULE-9241971646 [1,0,0,0,0,0|1,0,0]=2 89 B8R1.1 OCC1CC(CN1)O MCULE-1017614151 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.1 OCC1CC(CN1)O MCULE-5049675085 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.1 OCC1CC(CO1)O MCULE-4648895678 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.1 OCC1CCC(C1)F MCULE-4786923020 [1,0,0,0,0,0|2,1,0]=4 93 B8R1.1 OCC1CCC(C1)O MCULE-5225292788 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.1 OC[C@@H]1CC[C@@H](C1)O MCULE-7117159358 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.1 OC[C@@H]1CC[C@H](C1)F MCULE-4252726732 [1,0,0,0,0,0|2,1,0]=4 96 B8R1.1 OC[C@@H]1C[C@@H](CN1)O MCULE-2521610955 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.1 OC[C@@H]1C[C@@H](CN1)O MCULE-3659134136 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.1 OC[C@@H]1C[C@@H](CN1)O MCULE-8149895498 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.1 OC[C@@H]1C[C@@H](CN1)O MCULE-9582350102 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.1 OC[C@@H]1C[C@@H](CO1)O MCULE-7875239623 [1,0,0,0,0,0|2,0,0]=3 101 B8R1.1 OC[C@@H]1C[C@H](CN1)O MCULE-4908761192 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.1 OC[C@@H]1C[C@H](CN1)O MCULE-5510339033 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.1 OC[C@@H]1C[C@H](CN1)O MCULE-7612890329 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.1 OC[C@@H]1C[C@H](CN1)O MCULE-8424913442 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.1 OC[C@H]1CC[C@@H](C1)O MCULE-7760122854 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.1 OC[C@H]1CC[C@@H](C1)O MCULE-9132554470 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.1 OC[C@H]1C[C@@H](CN1)O MCULE-2855908983 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.1 OC[C@H]1C[C@@H](CN1)O MCULE-5564885819 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.1 OC[C@H]1C[C@@H](CN1)O MCULE-9276468823 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.1 OC[C@H]1C[C@@H](CN1)O MCULE-9585503921 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.1 OC[C@H]1C[C@@H](CO1)O MCULE-5801561749 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.1 OC[C@H]1C[C@H](CN1)O MCULE-2099905531 [1,0,0,0,0,0|3,0,0]=4 113 B8R1.1 OC[C@H]1C[C@H](CN1)O MCULE-5693059049 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.1 OC[C@H]1C[C@H](CN1)O MCULE-6004929736 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.1 OC[C@H]1C[C@H](CN1)O MCULE-8607282785 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.1 OC[C@H]1C[C@H](CO1)O MCULE-4197376814 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.1 OC[C@H]1C[C@H](CO1)O MCULE-4573543387 [1,0,0,0,0,0|2,0,0]=3 118 B8R1.1 [C@H]1(CN[C@@H](C1)CO)C MCULE-1910074067 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.1 [C@H]1(CN[C@@H](C1)CO)C MCULE-9340203932 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.1 [C@H]1(C[C@H](CN1)O)CO MCULE-4041584401 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.1 [C@H]1(C[C@H](CN1)O)CO MCULE-9607072956 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.35 COC1CC(C(O1)CO)O MCULE-7580408901 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.35 COC1C[C@@H]([C@H](O1)CO)O MCULE-3669544129 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.35 COC1C[C@@H]([C@H](O1)CO)O MCULE-6009980957 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.35 COC1C[C@@H]([C@H](O1)CO)O MCULE-7152461722 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.35 COC1C[C@H]([C@@H](O1)CO)O MCULE-6543096450 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.35 COC1C[C@H]([C@@H](O1)CO)O MCULE-8273469076 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.35 CO[C@@H]1C[C@@H]([C@H](O1)CO)O MCULE-2356288778 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.521 CCC1(CCC(O1)CN)C MCULE-5734842976 [0,1,0,0,0,0|3,0,0]=4 130 B8R0.6 C=CCOCC(O)CN MCULE-8007017645 [0,0,1,0,0,0|2,0,1]=4 131 B8R0.6 C=CCOCC(O)CO MCULE-2581090167 [0,0,1,0,0,0|1,0,1]=3 132 B8R0.6 C=CCOC[C@H](O)CO MCULE-2586134581 [0,0,1,0,0,0|1,0,1]=3 133 B8R0.6 C=CCOC[C@H](O)CO MCULE-2761205966 [0,0,1,0,0,0|1,0,1]=3 134 B8R0.6 CCC(C)CCCCO MCULE-9107164434 [0,0,1,0,0,0|3,0,0]=4 135 B8R0.6 CCCCCC(C)CO MCULE-4884757032 [0,0,1,0,0,0|3,0,0]=4 136 B8R0.6 CCCCCC(O)CC MCULE-6682377557 [0,0,1,0,0,0|3,0,0]=4 137 B8R0.6 CCCCCC(O)CCl MCULE-5610334497 [0,0,1,0,0,0|2,1,0]=4 138 B8R0.6 CCCCCC(O)CN MCULE-6091710122 [0,0,1,0,0,0|3,0,0]=4 139 B8R0.6 CCCCCC(O)CO MCULE-4124719814 [0,0,1,0,0,0|2,0,0]=3 140 B8R0.6 CCCNCC(O)CO MCULE-1611893086 [0,0,1,0,0,0|2,0,0]=3 141 B8R0.6 CCCOCC(C)CO MCULE-8326797774 [0,0,1,0,0,0|2,0,0]=3 142 B8R0.6 CCCOCC(O)CO MCULE-8815613620 [0,0,1,0,0,0|1,0,0]=2 143 B8R0.6 CCCOC[C@H](O)CO MCULE-7750792134 [0,0,1,0,0,0|1,0,0]=2 144 B8R0.6 CC[C@H](C)CCCCO MCULE-2674922341 [0,0,1,0,0,0|3,0,0]=4 145 B8R0.6 CC[C@H](C)CCCCO MCULE-7482991055 [0,0,1,0,0,0|3,0,0]=4 146 B8R0.6 N#CC(O)CCCCO MCULE-3554580179 [0,0,1,0,0,0|2,0,1]=4 147 B8R0.6 NCCCCC(N)CO MCULE-5938273372 [0,0,1,0,0,0|3,0,0]=4 148 B8R0.6 NCCCCC(N)CO MCULE-9464237285 [0,0,1,0,0,0|3,0,0]=4 149 B8R0.6 NCCCC[C@H](N)CO MCULE-4735749396 [0,0,1,0,0,0|3,0,0]=4 150 B8R0.6 NCCCC[C@H](N)CO MCULE-6997150748 [0,0,1,0,0,0|3,0,0]=4 151 B8R0.6 NCCCC[C@H](N)CO MCULE-7936699760 [0,0,1,0,0,0|3,0,0]=4 152 B8R0.6 NCCCC[C@H](N)CO MCULE-9135547877 [0,0,1,0,0,0|3,0,0]=4 153 B8R0.6 NCCNCC(O)CO MCULE-4818647623 [0,0,1,0,0,0|2,0,0]=3 154 B8R0.6 OC(CCl)COCCCl MCULE-4547951832 [0,0,1,0,0,0|1,1,0]=3 155 B8R0.6 OCCCCC(O)CO MCULE-5891501842 [0,0,1,0,0,0|2,0,0]=3 156 B8R0.6 OCCNCC(O)CO MCULE-1632492020 [0,0,1,0,0,0|2,0,0]=3 157 B8R0.6 OCCOCC(O)CCl MCULE-1530998868 [0,0,1,0,0,0|2,0,0]=3 158 B8R0.6 OCCOCC(O)CO MCULE-4768071463 [0,0,1,0,0,0|1,0,0]=2 159 B8R0.6 [C@H](O)(CC)CCCCC MCULE-7121730436 [0,0,1,0,0,0|3,0,0]=4 160 B8R0.11 CCC(CC)NCCO MCULE-3949639362 [0,0,1,0,0,0|3,0,0]=4 161 B8R0.11 CCC(CCl)OCCCl MCULE-7646249933 [0,0,1,0,0,0|2,1,0]=4 162 B8R0.11 CCCCC(CC)CI MCULE-8161503442 [0,0,1,0,0,0|3,0,0]=4 163 B8R0.11 CCCCC(CC)CO MCULE-1768780358 [0,0,1,0,0,0|3,0,0]=4 164 B8R0.11 CCCCC(CO)CO MCULE-4148067977 [0,0,1,0,0,0|2,0,0]=3 165 B8R0.11 CCCOC(CC)CN MCULE-9936594334 [0,0,1,0,0,0|3,0,0]=4 166 B8R0.11 ClCC(CBr)OCCBr MCULE-8974196528 [0,0,1,0,0,0|2,1,0]=4 167 B8R0.19 CC(CCl)OC(C)CCl MCULE-4521836322 [0,0,1,0,0,0|2,1,0]=4 168 B8R0.19 CC(CO)CC(C)CO MCULE-5101558507 [0,0,1,0,0,0|3,0,0]=4 169 B8R0.19 CC(CO)NC(C)CO MCULE-9592229965 [0,0,1,0,0,0|3,0,0]=4 170 B8R0.19 CC(CO)N[C@H](C)CO MCULE-4785692482 [0,0,1,0,0,0|3,0,0]=4 171 B8R0.19 CC(CO)OC(C)CO MCULE-3894293331 [0,0,1,0,0,0|2,0,0]=3 172 B8R0.19 CC(CO)OC(C)CO MCULE-7387498325 [0,0,1,0,0,0|2,0,0]=3 173 B8R0.19 CCC(C)CC(C)CO MCULE-5737704972 [0,0,1,0,0,0|3,0,0]=4 174 B8R0.19 CCC(C)CC(O)CC MCULE-9706306627 [0,0,1,0,0,0|3,0,0]=4 175 B8R0.19 CCC(C)OC(C)CC MCULE-7742835008 [0,0,1,0,0,0|3,0,0]=4 176 B8R0.19 CCC(N)CC(C)CO MCULE-9757770228 [0,0,1,0,0,0|3,0,0]=4 177 B8R0.19 CCC(O)OC(O)CC MCULE-9298226682 [0,0,1,0,0,0|3,0,0]=4 178 B10R2.25 OC1C2CNC(C2)C1O MCULE-5174905071 [0,0,0,1,0,0|3,0,0]=4 179 B10R2.25 OC1C2CNC(C2)C1O MCULE-5852133152 [0,0,0,1,0,0|3,0,0]=4 180 B10R2.99 BrCC1CC2CCC1O2 MCULE-7499963944 [0,0,0,1,0,0|3,0,0]=4 181 B10R2.99 BrC[C@@H]1C[C@@H]2CC[C@H]1O2 MCULE-9534043216 [0,0,0,1,0,0|3,0,0]=4 182 B10R2.99 BrC[C@H]1C[C@@H]2CC[C@H]1O2 MCULE-4259409859 [0,0,0,1,0,0|3,0,0]=4 183 B10R2.99 ICC1CC2CCC1C2 MCULE-8504201116 [0,0,0,1,0,0|3,0,0]=4 184 B10R2.99 NCC1CC2CCC1O2 MCULE-8924760145 [0,0,0,1,0,0|3,0,0]=4 185 B10R2.99 NC[C@@H]1C[C@@H]2CC[C@H]1O2 MCULE-7277701440 [0,0,0,1,0,0|3,0,0]=4 186 B10R2.99 NC[C@H]1C[C@@H]2CC[C@H]1O2 MCULE-8597812107 [0,0,0,1,0,0|3,0,0]=4 187 B10R2.99 OCC1CC2CCC1C2 MCULE-6750130772 [0,0,0,1,0,0|3,0,0]=4 188 B10R2.99 OCC1CC2CCC1O2 MCULE-2678708893 [0,0,0,1,0,0|2,0,0]=3 189 B10R2.99 OCC1NC2CCC1C2 MCULE-3363216052 [0,0,0,1,0,0|3,0,0]=4 190 B10R2.99 OCC1NC2CCC1C2 MCULE-8700649050 [0,0,0,1,0,0|3,0,0]=4 191 B10R2.99 OC[C@@H]1C[C@@H]2CC[C@H]1O2 MCULE-7195218381 [0,0,0,1,0,0|2,0,0]=3 192 B10R2.99 OC[C@@H]1C[C@H]2CC[C@@H]1O2 MCULE-7682722680 [0,0,0,1,0,0|2,0,0]=3 193 B10R2.99 OC[C@H]1C[C@@H]2CC[C@H]1O2 MCULE-2367755760 [0,0,0,1,0,0|2,0,0]=3 194 B10R2.99 [C@@H]12CC[C@@H](O1)C(C2)CN MCULE-9909873398 [0,0,0,1,0,0|3,0,0]=4 195 B10R2.99 [C@@H]12CC[C@@H](O1)[C@H](C2)CBr MCULE-4193747810 [0,0,0,1,0,0|3,0,0]=4 196 B10R2.99 [C@H]12CC[C@H](C1)C(C2)CO MCULE-5810512657 [0,0,0,1,0,0|3,0,0]=4 197 B10R2.138 C1CC2CCC(O2)CN1 MCULE-5862819983 [0,0,0,1,0,0|3,0,0]=4 198 B10R2.138 C1CC2CCC(O2)CN1 MCULE-9819700345 [0,0,0,1,0,0|3,0,0]=4 199 B10R2.178 NC1CCC2COC1O2 MCULE-1166304236 [0,0,0,1,0,0|2,0,0]=3 200 B10R2.178 O=C1CCC2COC1O2 MCULE-8791862906 [0,0,0,1,0,0|2,0,1]=4 201 B10R2.178 O=C1CCC2CO[C@@H]1O2 MCULE-2142238590 [0,0,0,1,0,0|2,0,1]=4 202 B10R2.178 O=C1CC[C@H]2CO[C@@H]1O2 MCULE-9827917652 [0,0,0,1,0,0|2,0,1]=4 203 B10R2.178 OC1C=CC2COC1O2 MCULE-5084399615 [0,0,0,1,0,0|2,0,1]=4 204 B10R2.178 OC1C=CC2OCC1O2 MCULE-6219816877 [0,0,0,1,0,0|1,0,1]=3 205 B10R2.178 OC1CCC2CC1CN2 MCULE-9703316859 [0,0,0,1,0,0|3,0,0]=4 206 B10R2.178 OC1CCC2CCC1N2 MCULE-1746954108 [0,0,0,1,0,0|3,0,0]=4 207 B10R2.178 OC1CCC2CCC1N2 MCULE-5286805851 [0,0,0,1,0,0|3,0,0]=4 208 B10R2.178 OC1CCC2COC1O2 MCULE-2788974769 [0,0,0,1,0,0|2,0,0]=3 209 B10R2.178 O[C@@H]1CC[C@@H]2CC[C@H]1N2 MCULE-4019321438 [0,0,0,1,0,0|3,0,0]=4 210 B10R2.178 O[C@@H]1CC[C@@H]2CC[C@H]1N2 MCULE-6224878276 [0,0,0,1,0,0|3,0,0]=4 211 B10R2.178 O[C@@H]1CC[C@@H]2CC[C@H]1N2 MCULE-8339657915 [0,0,0,1,0,0|3,0,0]=4 212 B10R2.178 O[C@H]1CC[C@@H]2CC[C@H]1N2 MCULE-1282324762 [0,0,0,1,0,0|3,0,0]=4 213 B10R2.178 O[C@H]1CC[C@@H]2CC[C@H]1N2 MCULE-9900676249 [0,0,0,1,0,0|3,0,0]=4 214 B10R2.178 [C@@H]12CCC(=O)[C@@H](O1)OC2 MCULE-5951038094 [0,0,0,1,0,0|2,0,1]=4 215 B10R2.178 [C@H]12C=C[C@@H]([C@H](O1)CO2)O MCULE-6225765520 [0,0,0,1,0,0|1,0,1]=3 216 B10R2.178 [C@H]12CC[C@@H]([C@H](N1)CC2)O MCULE-7342289158 [0,0,0,1,0,0|3,0,0]=4 217 B10R2.403 ICC1CC2(CC2)CO1 MCULE-3724458640 [0,0,0,1,0,0|2,0,0]=3 218 B10R2.403 NCC1CC2(CC2)CO1 MCULE-8628091801 [0,0,0,1,0,0|3,0,0]=4 219 B10R2.403 OCC1CC2(CC2)CO1 MCULE-2059874919 [0,0,0,1,0,0|3,0,0]=4 220 B10R2.403 OC[C@@H]1CCC2(N1)CC2 MCULE-4191595326 [0,0,0,1,0,0|3,0,0]=4 221 B10R2.403 OC[C@@H]1CCC2(N1)CC2 MCULE-7560966961 [0,0,0,1,0,0|3,0,0]=4 222 B10R2.442 ICC12CCC(O1)CC2 MCULE-4964571907 [0,0,0,1,0,0|2,0,0]=3 223 B10R2.442 NCC12CCC(O1)CC2 MCULE-8810376132 [0,0,0,1,0,0|3,0,0]=4 224 B10R2.442 OCC12CCC(C1)CC2 MCULE-1993913270 [0,0,0,1,0,0|3,0,0]=4 225 B10R2.442 OCC12CCC(C1)CN2 MCULE-6310515465 [0,0,0,1,0,0|3,0,0]=4 226 B10R2.442 OCC12CCC(N1)CC2 MCULE-3586454178 [0,0,0,1,0,0|3,0,0]=4 227 B10R2.442 [C@H]12CC[C@@](C1)(NC2)CO MCULE-4749798832 [0,0,0,1,0,0|3,0,0]=4 228 B10R2.442 [C@H]12CC[C@@](C1)(NC2)CO MCULE-9922680158 [0,0,0,1,0,0|3,0,0]=4 229 B8R1.12 C1(CCC1CO)CO MCULE-2925182914 [0,0,0,0,1,0|2,0,0]=3 230 B8R1.12 COC1CCC1CO MCULE-6344516762 [0,0,0,0,1,0|3,0,0]=4 231 B8R1.12 CO[C@@H]1CC[C@H]1CO MCULE-4926952555 [0,0,0,0,1,0|3,0,0]=4 232 B8R1.12 NCC1CCC1CN MCULE-4127003858 [0,0,0,0,1,0|3,0,0]=4 233 B8R1.12 NC[C@@H]1CC[C@H]1CN MCULE-1825799395 [0,0,0,0,1,0|3,0,0]=4 234 B8R1.12 NC[C@@H]1CC[C@H]1CN MCULE-8343153828 [0,0,0,0,1,0|3,0,0]=4 235 B8R1.12 OC[C@@H]1CC[C@H]1CO MCULE-9248215797 [0,0,0,0,1,0|2,0,0]=3 236 B8R1.12 [C@@H]1(CC[C@H]1CO)CO MCULE-3818148307 [0,0,0,0,1,0|2,0,0]=3 237 B8R1.47 C#CC1CC(C1)CO MCULE-4414437740 [0,0,0,0,1,0|2,0,1]=4 238 B8R1.47 C#C[C@H]1C[C@@H](C1)CO MCULE-4031242814 [0,0,0,0,1,0|2,0,1]=4 239 B8R1.47 C#C[C@H]1C[C@H](C1)CO MCULE-3488967606 [0,0,0,0,1,0|2,0,1]=4 240 B8R1.47 CCN1CC(C1)CO MCULE-1727098405 [0,0,0,0,1,0|3,0,0]=4 241 B8R1.47 CCN1CC(C1)CO MCULE-9726920458 [0,0,0,0,1,0|3,0,0]=4 242 B8R1.47 CN[C@H]1C[C@@H](C1)CO MCULE-8295172775 [0,0,0,0,1,0|3,0,0]=4 243 B8R1.47 CN[C@H]1C[C@H](C1)CO MCULE-4504786267 [0,0,0,0,1,0|3,0,0]=4 244 B8R1.47 COC1CC(C1)CO MCULE-9110825744 [0,0,0,0,1,0|3,0,0]=4 245 B8R1.47 N#CC1CC(C1)CO MCULE-2019665172 [0,0,0,0,1,0|2,0,1]=4 246 B8R1.47 NCC1CC(C1)CO MCULE-5012949238 [0,0,0,0,1,0|2,0,0]=3 247 B8R1.47 NCC1CC(C1)CO MCULE-7199790178 [0,0,0,0,1,0|2,0,0]=3 248 B8R1.47 NC[C@H]1C[C@@H](C1)CO MCULE-3562556540 [0,0,0,0,1,0|2,0,0]=3 249 B8R1.47 NC[C@H]1C[C@@H](C1)CO MCULE-7456554862 [0,0,0,0,1,0|2,0,0]=3 250 B8R1.47 NC[C@H]1C[C@H](C1)CO MCULE-5103568519 [0,0,0,0,1,0|2,0,0]=3 251 B8R1.47 NC[C@H]1C[C@H](C1)CO MCULE-5155041811 [0,0,0,0,1,0|2,0,0]=3 252 B8R1.47 OCC1CC(C1)CBr MCULE-2597862386 [0,0,0,0,1,0|1,1,0]=3 253 B8R1.47 OCC1CC(C1)CO MCULE-9877034202 [0,0,0,0,1,0|2,0,0]=3 254 B8R1.47 OCC1CC(N1)CO MCULE-1455435267 [0,0,0,0,1,0|2,0,0]=3 255 B8R1.47 OCC1CC(N1)CO MCULE-7256280066 [0,0,0,0,1,0|2,0,0]=3 256 B8R1.47 OC[C@@H]1C[C@@H](N1)CO MCULE-9594945818 [0,0,0,0,1,0|2,0,0]=3 257 B8R1.47 OC[C@@H]1C[C@@H](N1)CO MCULE-9708181621 [0,0,0,0,1,0|2,0,0]=3 258 B8R1.47 OC[C@H]1C[C@@H](N1)CO MCULE-9233798202 [0,0,0,0,1,0|2,0,0]=3 259 B8R1.47 OC[C@H]1C[C@H](C1)CO MCULE-4308306731 [0,0,0,0,1,0|2,0,0]=3 260 B10R1.3 CCC1CCC(CC1)CO MCULE-5789758945 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.3 CCC1COC(CN1)CC MCULE-1711922527 [0,0,0,0,0,1|3,0,0]=4 262 B10R1.3 CC[C@@H]1CO[C@@H](CN1)CO MCULE-9817918095 [0,0,0,0,0,1|2,0,0]=3 263 B10R1.3 CC[C@H]1CC[C@@H](CC1)CO MCULE-3116112684 [0,0,0,0,0,1|3,0,0]=4 264 B10R1.3 ICC1COC(CO1)CI MCULE-3822282890 [0,0,0,0,0,1|1,0,0]=2 265 B10R1.3 NCC1CCC(CC1)CO MCULE-4451629853 [0,0,0,0,0,1|3,0,0]=4 266 B10R1.3 NCC1CCC(CC1)CO MCULE-6861347045 [0,0,0,0,0,1|3,0,0]=4 267 B10R1.3 NC[C@H]1CC[C@@H](CC1)CO MCULE-9629043954 [0,0,0,0,0,1|3,0,0]=4 268 B10R1.3 OCC1CCC(CC1)CO MCULE-6816231153 [0,0,0,0,0,1|3,0,0]=4 269 B10R1.3 OCC1CCC(OC1)CI MCULE-7130386176 [0,0,0,0,0,1|1,0,0]=2 270 B10R1.3 OCC1COC(CO1)CO MCULE-1954740011 [0,0,0,0,0,1|1,0,0]=2 271 B10R1.3 OC[C@H]1CC[C@@H](CC1)CO MCULE-4824767912 [0,0,0,0,0,1|3,0,0]=4 272 B10R1.3 OC[C@H]1CO[C@@H](CO1)CO MCULE-4815195866 [0,0,0,0,0,1|1,0,0]=2 273 B10R1.3 [C@@H]1(CC[C@@H](CC1)CO)CN MCULE-7212267122 [0,0,0,0,0,1|3,0,0]=4 274 B10R1.172 CCC1CNCC(O1)CC MCULE-5035089082 [0,0,0,0,0,1|3,0,0]=4 275 B10R1.172 FCC1CNCC(O1)CF MCULE-1006144114 [0,0,0,0,0,1|2,1,0]=4 276 B10R1.172 FCC1CNCC(O1)CF MCULE-1152146065 [0,0,0,0,0,1|2,1,0]=4 277 B10R1.172 IC[C@@H]1COC[C@H](O1)CI MCULE-1054690985 [0,0,0,0,0,1|1,0,0]=2 278 B10R1.172 NC[C@@H]1CCC[C@@H](C1)CO MCULE-4521290774 [0,0,0,0,0,1|3,0,0]=4 279 B10R1.172 NC[C@@H]1CCC[C@@H](C1)CO MCULE-7994183611 [0,0,0,0,0,1|3,0,0]=4 280 B10R1.172 OCC1CNCC(C1)CO MCULE-2134620636 [0,0,0,0,0,1|3,0,0]=4 281 B10R1.172 OCC1CNCC(C1)CO MCULE-8435821857 [0,0,0,0,0,1|3,0,0]=4 282 B10R1.172 OC[C@@H]1CNC[C@@H](C1)CO MCULE-5573020830 [0,0,0,0,0,1|3,0,0]=4 283 B10R1.172 OC[C@@H]1CNC[C@@H](C1)CO MCULE-8236931267 [0,0,0,0,0,1|3,0,0]=4 284 B10R1.172 OC[C@@H]1CNC[C@@H](O1)CO MCULE-6537133350 [0,0,0,0,0,1|2,0,0]=3 285 B10R1.172 OC[C@@H]1CNC[C@@H](O1)CO MCULE-7436086494 [0,0,0,0,0,1|2,0,0]=3 286 B7R0.1 C#CCOCCCO MCULE-2600818859 [1,0,1,0,0,0|1,0,1]=4 287 B7R0.1 CCCCCCCI MCULE-2930393920 [1,0,1,0,0,0|2,0,0]=4 288 B7R0.1 CCCCCCCO MCULE-5882959353 [1,0,1,0,0,0|2,0,0]=4 289 B7R0.1 CCCCOCCBr MCULE-5314812532 [1,0,1,0,0,0|1,1,0]=4 290 B7R0.1 CCCCOCCCl MCULE-9147804479 [1,0,1,0,0,0|1,1,0]=4 291 B7R0.1 CCCCOCCI MCULE-3571589392 [1,0,1,0,0,0|1,0,0]=3 292 B7R0.1 CCCCOCCN MCULE-1817743996 [1,0,1,0,0,0|2,0,0]=4 293 B7R0.1 CCCCOCCN MCULE-3658840205 [1,0,1,0,0,0|2,0,0]=4 294 B7R0.1 CCCCOCCO MCULE-1727546427 [1,0,1,0,0,0|2,0,0]=4 295 B7R0.1 CCCCOCCO MCULE-4417721312 [1,0,1,0,0,0|2,0,0]=4 296 B7R0.1 CCCCOCCS MCULE-7419398753 [1,0,1,0,0,0|2,0,0]=4 297 B7R0.1 CCCNCCCO MCULE-4366982860 [1,0,1,0,0,0|2,0,0]=4 298 B7R0.1 CCCOCCCN MCULE-5875738973 [1,0,1,0,0,0|2,0,0]=4 299 B7R0.1 COCCOCCI MCULE-4051748367 [1,0,1,0,0,0|2,0,0]=4 300 B7R0.1 ClCCCCCCI MCULE-2662361744 [1,0,1,0,0,0|2,0,0]=4 301 B7R0.1 ICCCCCCI MCULE-1005202656 [1,0,1,0,0,0|2,0,0]=4 302 B7R0.1 N#CCOCCCO MCULE-3858235861 [1,0,1,0,0,0|1,0,1]=4 303 B7R0.1 NCCCCCCO MCULE-2264326846 [1,0,1,0,0,0|2,0,0]=4 304 B7R0.1 NCCCOCCO MCULE-7244821044 [1,0,1,0,0,0|2,0,0]=4 305 B7R0.1 NCCNCCCO MCULE-6476789217 [1,0,1,0,0,0|2,0,0]=4 306 B7R0.1 NCCOCCCO MCULE-2435588099 [1,0,1,0,0,0|1,0,0]=3 307 B7R0.1 NCCOCCCO MCULE-9188421727 [1,0,1,0,0,0|1,0,0]=3 308 B7R0.1 NCCSCCCO MCULE-1578023056 [1,0,1,0,0,0|1,1,0]=4 309 B7R0.1 OCCCCCCBr MCULE-3500356936 [1,0,1,0,0,0|1,1,0]=4 310 B7R0.1 OCCCCCCCl MCULE-4507452440 [1,0,1,0,0,0|1,1,0]=4 311 B7R0.1 OCCCCCCF MCULE-7082491218 [1,0,1,0,0,0|1,1,0]=4 312 B7R0.1 OCCCCCCI MCULE-3710706648 [1,0,1,0,0,0|1,0,0]=3 313 B7R0.1 OCCCCCCO MCULE-8817570517 [1,0,1,0,0,0|2,0,0]=4 314 B7R0.1 OCCCCCCS MCULE-9135853131 [1,0,1,0,0,0|2,0,0]=4 315 B7R0.1 OCCCNCCO MCULE-1959450493 [1,0,1,0,0,0|2,0,0]=4 316 B7R0.1 OCCCOCCCl MCULE-9172390990 [1,0,1,0,0,0|0,1,0]=3 317 B7R0.1 OCCOCCCBr MCULE-3397483886 [1,0,1,0,0,0|2,0,0]=4 318 B7R0.3 C#CCOC(C)CO MCULE-5112536028 [1,0,1,0,0,0|1,0,1]=4 319 B7R0.3 C=CCC[C@@H](O)CO MCULE-6352864696 [1,0,1,0,0,0|1,0,1]=4 320 B7R0.3 C=CCO[C@@H](C)CO MCULE-6699692288 [1,0,1,0,0,0|1,0,1]=4 321 B7R0.3 CC(CBr)OCCBr MCULE-2889401501 [1,0,1,0,0,0|1,1,0]=4 322 B7R0.3 CC(CN)CCCO MCULE-2908684674 [1,0,1,0,0,0|2,0,0]=4 323 B7R0.3 CC(CN)CCCO MCULE-5608783947 [1,0,1,0,0,0|2,0,0]=4 324 B7R0.3 CC(CN)CCCO MCULE-9269954426 [1,0,1,0,0,0|2,0,0]=4 325 B7R0.3 CC(CO)CCCO MCULE-8589885622 [1,0,1,0,0,0|2,0,0]=4 326 B7R0.3 CC(CO)NCCO MCULE-5180763491 [1,0,1,0,0,0|2,0,0]=4 327 B7R0.3 CCC(C)CCCO MCULE-2323419626 [1,0,1,0,0,0|2,0,0]=4 328 B7R0.3 CCC(C)NCCO MCULE-1340916666 [1,0,1,0,0,0|2,0,0]=4 329 B7R0.3 CCC(N)CCCO MCULE-3868205501 [1,0,1,0,0,0|2,0,0]=4 330 B7R0.3 CCC(O)CCCN MCULE-1491163174 [1,0,1,0,0,0|2,0,0]=4 331 B7R0.3 CCC(O)CCCN MCULE-5150508895 [1,0,1,0,0,0|2,0,0]=4 332 B7R0.3 CCC(O)CCCO MCULE-1099760826 [1,0,1,0,0,0|1,0,0]=3 333 B7R0.3 CCCCC(N)CO MCULE-1874423109 [1,0,1,0,0,0|2,0,0]=4 334 B7R0.3 CCCCC(N)CO MCULE-2041767659 [1,0,1,0,0,0|2,0,0]=4 335 B7R0.3 CCCCC(N)CO MCULE-4533575851 [1,0,1,0,0,0|2,0,0]=4 336 B7R0.3 CCCCC(N)CO MCULE-7141990411 [1,0,1,0,0,0|2,0,0]=4 337 B7R0.3 CCCCC(O)CBr MCULE-8416535559 [1,0,1,0,0,0|1,1,0]=4 338 B7R0.3 CCCCC(O)CC MCULE-3912386534 [1,0,1,0,0,0|2,0,0]=4 339 B7R0.3 CCCCC(O)CN MCULE-1383380728 [1,0,1,0,0,0|2,0,0]=4 340 B7R0.3 CCCCC(O)CO MCULE-6903923961 [1,0,1,0,0,0|1,0,0]=3 341 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [1,0,1,0,0,0|2,0,0]=4 342 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [1,0,1,0,0,0|2,0,0]=4 343 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [1,0,1,0,0,0|2,0,0]=4 344 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [1,0,1,0,0,0|2,0,0]=4 345 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [1,0,1,0,0,0|2,0,0]=4 346 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [1,0,1,0,0,0|2,0,0]=4 347 B7R0.3 CCCNC(C)CO MCULE-6575712324 [1,0,1,0,0,0|2,0,0]=4 348 B7R0.3 CCCOC(C)CN MCULE-2816840734 [1,0,1,0,0,0|2,0,0]=4 349 B7R0.3 CCCOC(C)CN MCULE-6461157704 [1,0,1,0,0,0|2,0,0]=4 350 B7R0.3 CCNCC(O)CC MCULE-9820144398 [1,0,1,0,0,0|2,0,0]=4 351 B7R0.3 CCOCC(C)CO MCULE-6831759423 [1,0,1,0,0,0|1,0,0]=3 352 B7R0.3 CCOCC(N)CC MCULE-2793834769 [1,0,1,0,0,0|2,0,0]=4 353 B7R0.3 CCOCC(N)CC MCULE-5142543434 [1,0,1,0,0,0|2,0,0]=4 354 B7R0.3 CCOCC(N)CO MCULE-8546500751 [1,0,1,0,0,0|1,0,0]=3 355 B7R0.3 CCOCC(O)CCl MCULE-5119359541 [1,0,1,0,0,0|1,0,0]=3 356 B7R0.3 CCOCC(O)CN MCULE-2355759727 [1,0,1,0,0,0|1,0,0]=3 357 B7R0.3 CCOCC(O)CO MCULE-2728952355 [1,0,1,0,0,0|0,0,0]=2 358 B7R0.3 CC[C@H](C)CCCO MCULE-1760153718 [1,0,1,0,0,0|2,0,0]=4 359 B7R0.3 CC[C@H](C)CCCO MCULE-3488695651 [1,0,1,0,0,0|2,0,0]=4 360 B7R0.3 COCOC(C)CO MCULE-5033492685 [1,0,1,0,0,0|2,0,0]=4 361 B7R0.3 COCO[C@@H](C)CO MCULE-2279257941 [1,0,1,0,0,0|2,0,0]=4 362 B7R0.3 COCO[C@H](C)CO MCULE-6639618074 [1,0,1,0,0,0|2,0,0]=4 363 B7R0.3 COCO[C@H](C)CO MCULE-9421136678 [1,0,1,0,0,0|2,0,0]=4 364 B7R0.3 C[C@@H](CN)CCCO MCULE-2859776250 [1,0,1,0,0,0|2,0,0]=4 365 B7R0.3 C[C@@H](CN)CCCO MCULE-3245433953 [1,0,1,0,0,0|2,0,0]=4 366 B7R0.3 C[C@@H](CN)CCCO MCULE-7698870351 [1,0,1,0,0,0|2,0,0]=4 367 B7R0.3 C[C@@H](CN)CCCO MCULE-9900676606 [1,0,1,0,0,0|2,0,0]=4 368 B7R0.3 OCCCC(O)CO MCULE-3529953491 [1,0,1,0,0,0|1,0,0]=3 369 B7R0.4 C#CCOCC(C)O MCULE-9051899250 [1,0,1,0,0,0|1,0,1]=4 370 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [1,0,1,0,0,0|0,0,2]=4 371 B7R0.4 CC(Br)CCCCO MCULE-2106751856 [1,0,1,0,0,0|2,0,0]=4 372 B7R0.4 CC(C)CCCCO MCULE-9053698607 [1,0,1,0,0,0|2,0,0]=4 373 B7R0.4 CC(C)COCCBr MCULE-7232103778 [1,0,1,0,0,0|1,1,0]=4 374 B7R0.4 CC(C)COCCN MCULE-9238454281 [1,0,1,0,0,0|2,0,0]=4 375 B7R0.4 CC(C)COCCN MCULE-9987398976 [1,0,1,0,0,0|2,0,0]=4 376 B7R0.4 CC(C)COCCO MCULE-2997702641 [1,0,1,0,0,0|2,0,0]=4 377 B7R0.4 CC(C)NCCCO MCULE-4556994899 [1,0,1,0,0,0|2,0,0]=4 378 B7R0.4 CC(C)NCCCO MCULE-9550690390 [1,0,1,0,0,0|2,0,0]=4 379 B7R0.4 CC(C)OCCCBr MCULE-6061340501 [1,0,1,0,0,0|2,0,0]=4 380 B7R0.4 CC(C)OCCCCl MCULE-5339928259 [1,0,1,0,0,0|2,0,0]=4 381 B7R0.4 CC(C)OCCCN MCULE-6787172017 [1,0,1,0,0,0|2,0,0]=4 382 B7R0.4 CC(C)OCCCN MCULE-8495001717 [1,0,1,0,0,0|2,0,0]=4 383 B7R0.4 CC(C)OCCCO MCULE-9280654202 [1,0,1,0,0,0|1,0,0]=3 384 B7R0.4 CC(C)SCCCO MCULE-4296249117 [1,0,1,0,0,0|1,1,0]=4 385 B7R0.4 CC(Cl)COCCCl MCULE-5744839272 [1,0,1,0,0,0|1,1,0]=4 386 B7R0.4 CC(N)CCCCO MCULE-7039935081 [1,0,1,0,0,0|2,0,0]=4 387 B7R0.4 CC(N)CCCCO MCULE-8167834378 [1,0,1,0,0,0|2,0,0]=4 388 B7R0.4 CC(O)CCCCO MCULE-3790969400 [1,0,1,0,0,0|1,0,0]=3 389 B7R0.4 CC(O)CNCCN MCULE-3904214677 [1,0,1,0,0,0|2,0,0]=4 390 B7R0.4 CC(O)CNCCO MCULE-4873845500 [1,0,1,0,0,0|2,0,0]=4 391 B7R0.4 CC(O)CSCCO MCULE-8885458360 [1,0,1,0,0,0|1,1,0]=4 392 B7R0.4 CCCCCC(C)O MCULE-2463855771 [1,0,1,0,0,0|2,0,0]=4 393 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [1,0,1,0,0,0|2,0,0]=4 394 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [1,0,1,0,0,0|2,0,0]=4 395 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [1,0,1,0,0,0|2,0,0]=4 396 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [1,0,1,0,0,0|2,0,0]=4 397 B7R0.4 CCCCOC(C)C MCULE-1504269570 [1,0,1,0,0,0|2,0,0]=4 398 B7R0.4 CCCNCC(C)O MCULE-8110237473 [1,0,1,0,0,0|2,0,0]=4 399 B7R0.4 CCCOCC(C)O MCULE-9214840563 [1,0,1,0,0,0|1,0,0]=3 400 B7R0.12 C=CCC(CO)CO MCULE-4178696072 [1,0,1,0,0,0|1,0,1]=4 401 B7R0.12 CCC(CC)CCO MCULE-1684491793 [1,0,1,0,0,0|2,0,0]=4 402 B7R0.12 CCC(CN)CCO MCULE-4612619767 [1,0,1,0,0,0|2,0,0]=4 403 B7R0.12 CCCC(CN)OC MCULE-6456891707 [1,0,1,0,0,0|2,0,0]=4 404 B7R0.12 CCCC(CO)CO MCULE-2372919180 [1,0,1,0,0,0|1,0,0]=3 405 B7R0.12 CCCC(CO)OC MCULE-9427398002 [1,0,1,0,0,0|2,0,0]=4 406 B7R0.12 CCNC(CC)CO MCULE-2240229411 [1,0,1,0,0,0|2,0,0]=4 407 B7R0.12 CCN[C@@H](CC)CO MCULE-3793090402 [1,0,1,0,0,0|2,0,0]=4 408 B7R0.12 CCN[C@@H](CC)CO MCULE-7960570694 [1,0,1,0,0,0|2,0,0]=4 409 B7R0.12 CCOC(CC)CBr MCULE-9805591276 [1,0,1,0,0,0|1,1,0]=4 410 B7R0.12 CCOC(CC)CN MCULE-3206225209 [1,0,1,0,0,0|2,0,0]=4 411 B7R0.12 CCOC(CC)CN MCULE-9811140121 [1,0,1,0,0,0|2,0,0]=4 412 B7R0.12 CCOC(CN)CN MCULE-8474624366 [1,0,1,0,0,0|2,0,0]=4 413 B7R0.12 CCOC(CO)CBr MCULE-3004663873 [1,0,1,0,0,0|1,0,0]=3 414 B7R0.12 COC(CN)CCN MCULE-6044078562 [1,0,1,0,0,0|2,0,0]=4 415 B7R0.12 COC(CO)CCN MCULE-1177905249 [1,0,1,0,0,0|2,0,0]=4 416 B7R0.12 NCCC(CO)CO MCULE-7028267284 [1,0,1,0,0,0|1,0,0]=3 417 B7R0.12 NCCC(CO)CO MCULE-8865812482 [1,0,1,0,0,0|1,0,0]=3 418 B7R0.12 OCCC(CO)CO MCULE-7198799967 [1,0,1,0,0,0|1,0,0]=3 419 B7R0.2 CC(C)CC(C)CO MCULE-5856507691 [1,0,1,0,0,0|2,0,0]=4 420 B7R0.2 CC(C)CC(O)CN MCULE-9414833333 [1,0,1,0,0,0|2,0,0]=4 421 B7R0.2 CC(C)CC(O)CN MCULE-9784331526 [1,0,1,0,0,0|2,0,0]=4 422 B7R0.2 CC(O)CC(C)CN MCULE-3086796159 [1,0,1,0,0,0|2,0,0]=4 423 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [1,0,1,0,0,0|2,0,0]=4 424 B7R1.1 BrCC1CCCO1 MCULE-6801721633 [2,0,0,0,0,0|1,1,0]=4 425 B7R1.1 BrCC1CCOC1 MCULE-5109533414 [2,0,0,0,0,0|2,0,0]=4 426 B7R1.1 BrCC1OCCO1 MCULE-4843503125 [2,0,0,0,0,0|0,1,0]=3 427 B7R1.1 BrC[C@H]1CCCO1 MCULE-3468061610 [2,0,0,0,0,0|1,1,0]=4 428 B7R1.1 BrC[C@H]1CCCO1 MCULE-9305844681 [2,0,0,0,0,0|1,1,0]=4 429 B7R1.1 BrC[C@H]1CCOC1 MCULE-3326059942 [2,0,0,0,0,0|2,0,0]=4 430 B7R1.1 C1(CCCN1)CO MCULE-7277085817 [2,0,0,0,0,0|2,0,0]=4 431 B7R1.1 C1(CCNC1)CO MCULE-7897000858 [2,0,0,0,0,0|2,0,0]=4 432 B7R1.1 C1(CCNC1)CO MCULE-9939548436 [2,0,0,0,0,0|2,0,0]=4 433 B7R1.1 C1(CCOC1)CN MCULE-1674920995 [2,0,0,0,0,0|2,0,0]=4 434 B7R1.1 C1(CCOC1)CN MCULE-9715233219 [2,0,0,0,0,0|2,0,0]=4 435 B7R1.1 C1(CCOC1)CO MCULE-2350780678 [2,0,0,0,0,0|1,0,0]=3 436 B7R1.1 CCC1OCCO1 MCULE-3434568584 [2,0,0,0,0,0|1,0,0]=3 437 B7R1.1 COC1OCCO1 MCULE-9935127218 [2,0,0,0,0,0|2,0,0]=4 438 B7R1.1 ClCC1CCCO1 MCULE-9816764842 [2,0,0,0,0,0|1,1,0]=4 439 B7R1.1 ClCC1CCOC1 MCULE-1203835826 [2,0,0,0,0,0|2,0,0]=4 440 B7R1.1 ClCC1OCCO1 MCULE-2722734837 [2,0,0,0,0,0|0,1,0]=3 441 B7R1.1 ICC1CCCC1 MCULE-5940886897 [2,0,0,0,0,0|2,0,0]=4 442 B7R1.1 ICC1CCCN1 MCULE-3467617934 [2,0,0,0,0,0|2,0,0]=4 443 B7R1.1 ICC1CCCN1 MCULE-7784862806 [2,0,0,0,0,0|2,0,0]=4 444 B7R1.1 ICC1CCCO1 MCULE-3981288245 [2,0,0,0,0,0|1,0,0]=3 445 B7R1.1 ICC1CCOC1 MCULE-2014671156 [2,0,0,0,0,0|2,0,0]=4 446 B7R1.1 IC[C@@H]1CCCN1 MCULE-4843756038 [2,0,0,0,0,0|2,0,0]=4 447 B7R1.1 IC[C@@H]1CCCN1 MCULE-8213667136 [2,0,0,0,0,0|2,0,0]=4 448 B7R1.1 IC[C@H]1CCOC1 MCULE-5163407500 [2,0,0,0,0,0|2,0,0]=4 449 B7R1.1 NCC1CCCO1 MCULE-2797516262 [2,0,0,0,0,0|2,0,0]=4 450 B7R1.1 NCC1CCCO1 MCULE-5970677903 [2,0,0,0,0,0|2,0,0]=4 451 B7R1.1 NCC1CCCO1 MCULE-6166235034 [2,0,0,0,0,0|2,0,0]=4 452 B7R1.1 NCC1CCOC1 MCULE-4208746127 [2,0,0,0,0,0|2,0,0]=4 453 B7R1.1 NCC1CCOC1 MCULE-6540410947 [2,0,0,0,0,0|2,0,0]=4 454 B7R1.1 NCC1COCO1 MCULE-1657884847 [2,0,0,0,0,0|1,0,0]=3 455 B7R1.1 NCC1COCO1 MCULE-9310217083 [2,0,0,0,0,0|1,0,0]=3 456 B7R1.1 NCC1OCCO1 MCULE-4813269641 [2,0,0,0,0,0|1,0,0]=3 457 B7R1.1 NC[C@@H]1CCCO1 MCULE-1103643839 [2,0,0,0,0,0|2,0,0]=4 458 B7R1.1 NC[C@@H]1CCCO1 MCULE-1402571993 [2,0,0,0,0,0|2,0,0]=4 459 B7R1.1 NC[C@@H]1CCCO1 MCULE-1448381041 [2,0,0,0,0,0|2,0,0]=4 460 B7R1.1 NC[C@@H]1CCCO1 MCULE-6664501749 [2,0,0,0,0,0|2,0,0]=4 461 B7R1.1 NC[C@@H]1CCOC1 MCULE-2941934022 [2,0,0,0,0,0|2,0,0]=4 462 B7R1.1 NC[C@@H]1CCOC1 MCULE-2981279377 [2,0,0,0,0,0|2,0,0]=4 463 B7R1.1 NC[C@@H]1CCOC1 MCULE-6671508282 [2,0,0,0,0,0|2,0,0]=4 464 B7R1.1 NC[C@@H]1CCOC1 MCULE-7170580817 [2,0,0,0,0,0|2,0,0]=4 465 B7R1.1 NC[C@H]1CCCO1 MCULE-1196018690 [2,0,0,0,0,0|2,0,0]=4 466 B7R1.1 NC[C@H]1CCCO1 MCULE-2037746017 [2,0,0,0,0,0|2,0,0]=4 467 B7R1.1 NC[C@H]1CCCO1 MCULE-3470426685 [2,0,0,0,0,0|2,0,0]=4 468 B7R1.1 NC[C@H]1CCCO1 MCULE-9918683284 [2,0,0,0,0,0|2,0,0]=4 469 B7R1.1 NC[C@H]1CCOC1 MCULE-1537228220 [2,0,0,0,0,0|2,0,0]=4 470 B7R1.1 NC[C@H]1CCOC1 MCULE-2673094483 [2,0,0,0,0,0|2,0,0]=4 471 B7R1.1 NC[C@H]1CCOC1 MCULE-4873739830 [2,0,0,0,0,0|2,0,0]=4 472 B7R1.1 NC[C@H]1CCOC1 MCULE-6059527282 [2,0,0,0,0,0|2,0,0]=4 473 B7R1.1 OCC1CCCC1 MCULE-2985338933 [2,0,0,0,0,0|2,0,0]=4 474 B7R1.1 OCC1CCCN1 MCULE-1016922679 [2,0,0,0,0,0|2,0,0]=4 475 B7R1.1 OCC1CCCN1 MCULE-8224535891 [2,0,0,0,0,0|2,0,0]=4 476 B7R1.1 OCC1CCCO1 MCULE-5877114547 [2,0,0,0,0,0|1,0,0]=3 477 B7R1.1 OCC1CCCO1 MCULE-5884880244 [2,0,0,0,0,0|1,0,0]=3 478 B7R1.1 OCC1CCCS1 MCULE-6106081414 [2,0,0,0,0,0|1,1,0]=4 479 B7R1.1 OCC1CCNC1 MCULE-7883947611 [2,0,0,0,0,0|2,0,0]=4 480 B7R1.1 OCC1CCNC1 MCULE-9689521155 [2,0,0,0,0,0|2,0,0]=4 481 B7R1.1 OCC1CCOC1 MCULE-8926405046 [2,0,0,0,0,0|1,0,0]=3 482 B7R1.1 OCC1CCON1 MCULE-1199975481 [2,0,0,0,0,0|2,0,0]=4 483 B7R1.1 OCC1CCON1 MCULE-4772487016 [2,0,0,0,0,0|2,0,0]=4 484 B7R1.1 OCC1CCSC1 MCULE-2226132734 [2,0,0,0,0,0|1,1,0]=4 485 B7R1.1 OCC1COCO1 MCULE-3470022742 [2,0,0,0,0,0|0,0,0]=2 486 B7R1.1 OCC1OCCO1 MCULE-8334027179 [2,0,0,0,0,0|1,0,0]=3 487 B7R1.1 OC[C@@H]1CCCN1 MCULE-1791547752 [2,0,0,0,0,0|2,0,0]=4 488 B7R1.1 OC[C@@H]1CCCN1 MCULE-6448856585 [2,0,0,0,0,0|2,0,0]=4 489 B7R1.1 OC[C@@H]1CCCN1 MCULE-7214801659 [2,0,0,0,0,0|2,0,0]=4 490 B7R1.1 OC[C@@H]1CCCN1 MCULE-7248451975 [2,0,0,0,0,0|2,0,0]=4 491 B7R1.1 OC[C@@H]1CCCO1 MCULE-1788377708 [2,0,0,0,0,0|1,0,0]=3 492 B7R1.1 OC[C@@H]1CCCO1 MCULE-3533553137 [2,0,0,0,0,0|1,0,0]=3 493 B7R1.1 OC[C@@H]1CCNC1 MCULE-3126404140 [2,0,0,0,0,0|2,0,0]=4 494 B7R1.1 OC[C@@H]1CCNC1 MCULE-4876549629 [2,0,0,0,0,0|2,0,0]=4 495 B7R1.1 OC[C@@H]1CCNC1 MCULE-7050415145 [2,0,0,0,0,0|2,0,0]=4 496 B7R1.1 OC[C@@H]1CCNC1 MCULE-8785146407 [2,0,0,0,0,0|2,0,0]=4 497 B7R1.1 OC[C@@H]1CCOC1 MCULE-2004616524 [2,0,0,0,0,0|1,0,0]=3 498 B7R1.1 OC[C@@H]1CCOC1 MCULE-3801423698 [2,0,0,0,0,0|1,0,0]=3 499 B7R1.1 OC[C@H]1CCCN1 MCULE-1266532697 [2,0,0,0,0,0|2,0,0]=4 500 B7R1.1 OC[C@H]1CCCN1 MCULE-1724166794 [2,0,0,0,0,0|2,0,0]=4 501 B7R1.1 OC[C@H]1CCCN1 MCULE-7513431964 [2,0,0,0,0,0|2,0,0]=4 502 B7R1.1 OC[C@H]1CCCN1 MCULE-8398083695 [2,0,0,0,0,0|2,0,0]=4 503 B7R1.1 OC[C@H]1CCCO1 MCULE-3501680239 [2,0,0,0,0,0|1,0,0]=3 504 B7R1.1 OC[C@H]1CCCO1 MCULE-4925106568 [2,0,0,0,0,0|1,0,0]=3 505 B7R1.1 OC[C@H]1CCNC1 MCULE-3909770597 [2,0,0,0,0,0|2,0,0]=4 506 B7R1.1 OC[C@H]1CCNC1 MCULE-5006682123 [2,0,0,0,0,0|2,0,0]=4 507 B7R1.1 OC[C@H]1CCNC1 MCULE-8265382423 [2,0,0,0,0,0|2,0,0]=4 508 B7R1.1 OC[C@H]1CCNC1 MCULE-8371969680 [2,0,0,0,0,0|2,0,0]=4 509 B7R1.1 OC[C@H]1CCOC1 MCULE-4226412289 [2,0,0,0,0,0|1,0,0]=3 510 B7R1.1 OC[C@H]1CCOC1 MCULE-9076004118 [2,0,0,0,0,0|1,0,0]=3 511 B7R1.1 SCC1CCCO1 MCULE-5962232488 [2,0,0,0,0,0|1,1,0]=4 512 B7R1.1 SCC1CCOC1 MCULE-4504314486 [2,0,0,0,0,0|1,1,0]=4 513 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [2,0,0,0,0,0|1,0,1]=4 514 B7R1.2 CC1CC(CN1)O MCULE-5630063862 [2,0,0,0,0,0|2,0,0]=4 515 B7R1.2 CC1CC(CN1)O MCULE-7427731937 [2,0,0,0,0,0|2,0,0]=4 516 B7R1.2 CC1CC(CO1)N MCULE-5031195609 [2,0,0,0,0,0|2,0,0]=4 517 B7R1.2 CC1CC(CO1)N MCULE-6627149239 [2,0,0,0,0,0|2,0,0]=4 518 B7R1.2 CC1CC(CO1)O MCULE-1304022283 [2,0,0,0,0,0|1,0,0]=3 519 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [2,0,0,0,0,0|2,0,0]=4 520 B7R1.2 CC1CCC(N1)C MCULE-8652550641 [2,0,0,0,0,0|2,0,0]=4 521 B7R1.2 CC1CCC(N1)C MCULE-9945795318 [2,0,0,0,0,0|2,0,0]=4 522 B7R1.2 CC1CCC(O1)C MCULE-6766843462 [2,0,0,0,0,0|1,0,0]=3 523 B7R1.2 CC1CC[C@H](N1)C MCULE-7537248866 [2,0,0,0,0,0|2,0,0]=4 524 B7R1.2 CC1CC[C@H](N1)C MCULE-8839413924 [2,0,0,0,0,0|2,0,0]=4 525 B7R1.2 CC1CNC(C1)C MCULE-3051496448 [2,0,0,0,0,0|2,0,0]=4 526 B7R1.2 CC1CNC(C1)C MCULE-9324057254 [2,0,0,0,0,0|2,0,0]=4 527 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [2,0,0,0,0,0|1,0,1]=4 528 B7R1.2 CC1COC(O1)C MCULE-5670718739 [2,0,0,0,0,0|0,0,0]=2 529 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [2,0,0,0,0,0|2,0,0]=4 530 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-1673197449 [2,0,0,0,0,0|2,0,0]=4 531 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-2729648845 [2,0,0,0,0,0|2,0,0]=4 532 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-4960548681 [2,0,0,0,0,0|2,0,0]=4 533 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-9686295802 [2,0,0,0,0,0|2,0,0]=4 534 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [2,0,0,0,0,0|1,0,1]=4 535 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [2,0,0,0,0,0|1,0,1]=4 536 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-1211015225 [2,0,0,0,0,0|2,0,0]=4 537 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8025231795 [2,0,0,0,0,0|2,0,0]=4 538 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8074184383 [2,0,0,0,0,0|2,0,0]=4 539 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8403784233 [2,0,0,0,0,0|2,0,0]=4 540 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-4359200896 [2,0,0,0,0,0|2,0,0]=4 541 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-5029850022 [2,0,0,0,0,0|2,0,0]=4 542 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8880723450 [2,0,0,0,0,0|2,0,0]=4 543 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8966000465 [2,0,0,0,0,0|2,0,0]=4 544 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-4583560293 [2,0,0,0,0,0|2,0,0]=4 545 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8297612622 [2,0,0,0,0,0|2,0,0]=4 546 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8699883146 [2,0,0,0,0,0|2,0,0]=4 547 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8917914682 [2,0,0,0,0,0|2,0,0]=4 548 B7R1.2 C[C@H]1CC[C@H](C1)C MCULE-8059507758 [2,0,0,0,0,0|2,0,0]=4 549 B7R1.2 C[C@H]1CC[C@H](N1)C MCULE-1935235769 [2,0,0,0,0,0|2,0,0]=4 550 B7R1.2 C[C@H]1CC[C@H](N1)C MCULE-9833374653 [2,0,0,0,0,0|2,0,0]=4 551 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [2,0,0,0,0,0|1,0,1]=4 552 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [2,0,0,0,0,0|1,0,1]=4 553 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-1346257695 [2,0,0,0,0,0|2,0,0]=4 554 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-3035291598 [2,0,0,0,0,0|2,0,0]=4 555 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-8611352921 [2,0,0,0,0,0|2,0,0]=4 556 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-9413190353 [2,0,0,0,0,0|2,0,0]=4 557 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-3188785695 [2,0,0,0,0,0|2,0,0]=4 558 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-4518572489 [2,0,0,0,0,0|2,0,0]=4 559 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-5322353871 [2,0,0,0,0,0|2,0,0]=4 560 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-9693826142 [2,0,0,0,0,0|2,0,0]=4 561 B7R1.2 OC1CCC(O1)O MCULE-8012370358 [2,0,0,0,0,0|2,0,0]=4 562 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-1916837136 [2,0,0,0,0,0|2,0,0]=4 563 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-8263093896 [2,0,0,0,0,0|2,0,0]=4 564 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9065610836 [2,0,0,0,0,0|2,0,0]=4 565 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9910248291 [2,0,0,0,0,0|2,0,0]=4 566 B9R0.1 CC(C)COCC(O)CN MCULE-5255759665 [0,1,1,0,0,0|2,0,0]=4 567 B9R0.1 CC(C)COCC(O)CO MCULE-6665926443 [0,1,1,0,0,0|1,0,0]=3 568 B9R0.1 C[C@@H](N)COC[C@H](O)CCl MCULE-1215329842 [0,1,1,0,0,0|2,0,0]=4 569 B9R0.1 C[C@@H](N)COC[C@H](O)CCl MCULE-1680848350 [0,1,1,0,0,0|2,0,0]=4 570 B9R0.5 CCCCCC(O)CCO MCULE-7307683143 [0,1,1,0,0,0|2,0,0]=4 571 B9R0.8 CCCOC(=O)C(O)CO MCULE-8417972941 [0,1,1,0,0,0|1,0,1]=4 572 B9R0.24 O=C(CS)OCC(O)CO MCULE-2071903342 [0,1,1,0,0,0|1,0,1]=4 573 B9R0.46 C=CCCCCC(O)CO MCULE-9731075660 [0,1,1,0,0,0|2,0,0]=4 574 B9R0.46 CCCCCCC(O)CO MCULE-7396593748 [0,1,1,0,0,0|2,0,0]=4 575 B9R0.46 CCCCCC[C@@H](O)CO MCULE-9540453574 [0,1,1,0,0,0|2,0,0]=4 576 B9R0.46 CCCCCC[C@H](O)CO MCULE-8481484883 [0,1,1,0,0,0|2,0,0]=4 577 B9R0.46 CCCCOCC(O)CC MCULE-2411357752 [0,1,1,0,0,0|2,0,0]=4 578 B9R0.46 CCCCOCC(O)CCl MCULE-6855689044 [0,1,1,0,0,0|1,1,0]=4 579 B9R0.46 CCCCOCC(O)CN MCULE-1971283908 [0,1,1,0,0,0|2,0,0]=4 580 B9R0.46 CCCCOCC(O)CO MCULE-8662748140 [0,1,1,0,0,0|1,0,0]=3 581 B9R0.46 CCCCSCC(O)CO MCULE-8665487683 [0,1,1,0,0,0|1,1,0]=4 582 B9R0.46 COCCOCC(O)CCl MCULE-7963737892 [0,1,1,0,0,0|2,0,0]=4 583 B9R0.46 OCCCCCC(O)CO MCULE-1241763539 [0,1,1,0,0,0|2,0,0]=4 584 B9R0.50 CCCCCC(CO)CO MCULE-5254181477 [0,1,1,0,0,0|2,0,0]=4 585 B9R0.50 NCCCCC(CO)CO MCULE-9856529758 [0,1,1,0,0,0|2,0,0]=4 586 B9R0.13 CC(C)C(CN)OCCO MCULE-5964138509 [0,1,1,0,0,0|2,0,0]=4 587 B9R1.7 CC1CCC(O1)CCN MCULE-6897276194 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.7 CC1CCC(O1)CCO MCULE-3947673644 [1,1,0,0,0,0|1,0,0]=3 589 B9R1.7 CCCC1OCC(O1)C MCULE-3762914452 [1,1,0,0,0,0|1,0,0]=3 590 B9R1.7 COCC1COC(=O)O1 MCULE-4488263909 [1,1,0,0,0,0|1,0,1]=4 591 B9R1.7 COC[C@@H]1COC(=O)O1 MCULE-4803003402 [1,1,0,0,0,0|1,0,1]=4 592 B9R1.7 COC[C@@H]1COC(=O)O1 MCULE-7896550849 [1,1,0,0,0,0|1,0,1]=4 593 B9R1.7 COC[C@H]1COC(=O)O1 MCULE-4532523996 [1,1,0,0,0,0|1,0,1]=4 594 B9R1.7 COC[C@H]1COC(=O)O1 MCULE-4644835151 [1,1,0,0,0,0|1,0,1]=4 595 B9R1.22 CC1CC(C(O1)C)CN MCULE-8332746873 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.22 OCC1OC(CC1O)O MCULE-1321369472 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-2396008864 [1,1,0,0,0,0|2,0,0]=4 598 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-3186725991 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-8127322430 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.22 OC[C@H]1OC(C[C@@H]1O)O MCULE-5678157789 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.23 OCC1CC(C(O1)O)O MCULE-1894937679 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [1,1,0,0,0,0|1,0,1]=4 603 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [1,1,0,0,0,0|1,0,1]=4 604 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [1,1,0,0,0,0|1,0,1]=4 605 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [1,1,0,0,0,0|1,0,1]=4 606 B9R1.125 CC1=NC(CO1)(C)CO MCULE-3331389349 [1,1,0,0,0,0|1,0,1]=4 607 B9R1.132 OCC1OCC(C1O)O MCULE-6035918255 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.132 OC[C@@H]1OC[C@H]([C@H]1O)O MCULE-5977248366 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.132 OC[C@H]1OC[C@@H]([C@@H]1O)O MCULE-2426542638 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.132 OC[C@H]1OC[C@@H]([C@H]1O)O MCULE-2697830391 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.132 OC[C@H]1OC[C@@H]([C@H]1O)O MCULE-3664631398 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.133 C#C[C@H]1COC(O1)(C)C MCULE-3932530239 [1,1,0,0,0,0|1,0,1]=4 613 B9R1.133 C#C[C@H]1COC(O1)(C)C MCULE-6097286295 [1,1,0,0,0,0|1,0,1]=4 614 B9R1.133 C1(COC(O1)(C)C)CN MCULE-6764790908 [1,1,0,0,0,0|1,0,0]=3 615 B9R1.133 C=CC1COC(O1)(C)C MCULE-8384187780 [1,1,0,0,0,0|1,0,1]=4 616 B9R1.133 CC1(CC(CO1)CN)C MCULE-8906192023 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.133 CC1(CC(CO1)CN)C MCULE-9373852549 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.133 CC1(CC(CO1)CO)C MCULE-2082777480 [1,1,0,0,0,0|1,0,0]=3 619 B9R1.133 CC1(CCC(O1)CBr)C MCULE-7975653586 [1,1,0,0,0,0|1,1,0]=4 620 B9R1.133 CC1(CCC(O1)CN)C MCULE-7867684034 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.133 CC1(CCC(O1)CN)C MCULE-9199821671 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.133 CC1(CCC(O1)CO)C MCULE-1774872507 [1,1,0,0,0,0|1,0,0]=3 623 B9R1.133 CC1(CC[C@@H](O1)CN)C MCULE-1087286567 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.133 CC1(CC[C@@H](O1)CO)C MCULE-5585962757 [1,1,0,0,0,0|1,0,0]=3 625 B9R1.133 CC1(CC[C@H](O1)CO)C MCULE-2305370714 [1,1,0,0,0,0|1,0,0]=3 626 B9R1.133 CC1(CC[C@H](O1)CO)C MCULE-8266167352 [1,1,0,0,0,0|1,0,0]=3 627 B9R1.133 CC1(COC(C1)CBr)C MCULE-8366378827 [1,1,0,0,0,0|1,1,0]=4 628 B9R1.133 CC1(COC(C1)CI)C MCULE-3770266551 [1,1,0,0,0,0|1,0,0]=3 629 B9R1.133 CC1(COC(C1)CN)C MCULE-2314291032 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.133 CC1(COC(C1)CN)C MCULE-3842057505 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.133 CC1(COC(C1)CO)C MCULE-6114837538 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.133 CC1(C[C@@H](CO1)CN)C MCULE-5634944505 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.133 CC1(OCC(O1)C=O)C MCULE-2415914691 [1,1,0,0,0,0|0,0,2]=4 634 B9R1.133 CC1(OCC(O1)CBr)C MCULE-7375610898 [1,1,0,0,0,0|1,0,0]=3 635 B9R1.133 CC1(OCC(O1)CCl)C MCULE-4712243532 [1,1,0,0,0,0|1,0,0]=3 636 B9R1.133 CC1(OCC(O1)CCl)C MCULE-6615919946 [1,1,0,0,0,0|1,0,0]=3 637 B9R1.133 CC1(OCC(O1)CF)C MCULE-8830666520 [1,1,0,0,0,0|1,0,0]=3 638 B9R1.133 CC1(OCC(O1)CI)C MCULE-2987707152 [1,1,0,0,0,0|1,0,0]=3 639 B9R1.133 CC1(OCC(O1)CI)C MCULE-3829113477 [1,1,0,0,0,0|1,0,0]=3 640 B9R1.133 CC1(OCC(O1)CN)C MCULE-1132642473 [1,1,0,0,0,0|1,0,0]=3 641 B9R1.133 CC1(OCC(O1)CN)C MCULE-6296299980 [1,1,0,0,0,0|1,0,0]=3 642 B9R1.133 CC1(OCC(O1)CO)C MCULE-4394573653 [1,1,0,0,0,0|0,0,0]=2 643 B9R1.133 CC1(OCC(O1)CO)C MCULE-8717487705 [1,1,0,0,0,0|0,0,0]=2 644 B9R1.133 CC1(OC[C@@H](O1)C=O)C MCULE-1837843473 [1,1,0,0,0,0|0,0,2]=4 645 B9R1.133 CC1(OC[C@@H](O1)C=O)C MCULE-9001101986 [1,1,0,0,0,0|0,0,2]=4 646 B9R1.133 CC1(OC[C@@H](O1)CBr)C MCULE-3713885280 [1,1,0,0,0,0|1,0,0]=3 647 B9R1.133 CC1(OC[C@@H](O1)CCl)C MCULE-7915415776 [1,1,0,0,0,0|1,0,0]=3 648 B9R1.133 CC1(OC[C@@H](O1)CCl)C MCULE-9710736285 [1,1,0,0,0,0|1,0,0]=3 649 B9R1.133 CC1(OC[C@@H](O1)CI)C MCULE-4406404364 [1,1,0,0,0,0|1,0,0]=3 650 B9R1.133 CC1(OC[C@@H](O1)CI)C MCULE-7375020273 [1,1,0,0,0,0|1,0,0]=3 651 B9R1.133 CC1(OC[C@@H](O1)CN)C MCULE-3780024433 [1,1,0,0,0,0|1,0,0]=3 652 B9R1.133 CC1(OC[C@@H](O1)CN)C MCULE-8885822788 [1,1,0,0,0,0|1,0,0]=3 653 B9R1.133 CC1(OC[C@@H](O1)CO)C MCULE-6178929923 [1,1,0,0,0,0|0,0,0]=2 654 B9R1.133 CC1(OC[C@@H](O1)CO)C MCULE-8130693910 [1,1,0,0,0,0|0,0,0]=2 655 B9R1.133 CC1(OC[C@H](O1)C=O)C MCULE-2355273726 [1,1,0,0,0,0|0,0,2]=4 656 B9R1.133 CC1(OC[C@H](O1)C=O)C MCULE-3931300162 [1,1,0,0,0,0|0,0,2]=4 657 B9R1.133 CC1(OC[C@H](O1)CBr)C MCULE-2047735690 [1,1,0,0,0,0|1,0,0]=3 658 B9R1.133 CC1(OC[C@H](O1)CCl)C MCULE-5535440339 [1,1,0,0,0,0|1,0,0]=3 659 B9R1.133 CC1(OC[C@H](O1)CCl)C MCULE-8951156765 [1,1,0,0,0,0|1,0,0]=3 660 B9R1.133 CC1(OC[C@H](O1)CF)C MCULE-3270227158 [1,1,0,0,0,0|1,0,0]=3 661 B9R1.133 CC1(OC[C@H](O1)CF)C MCULE-8794641528 [1,1,0,0,0,0|1,0,0]=3 662 B9R1.133 CC1(OC[C@H](O1)CN)C MCULE-2241895330 [1,1,0,0,0,0|1,0,0]=3 663 B9R1.133 CC1(OC[C@H](O1)CN)C MCULE-4335373558 [1,1,0,0,0,0|1,0,0]=3 664 B9R1.133 CC1(OC[C@H](O1)CO)C MCULE-1400149271 [1,1,0,0,0,0|0,0,0]=2 665 B9R1.133 CC1(OC[C@H](O1)CO)C MCULE-1405058977 [1,1,0,0,0,0|0,0,0]=2 666 B9R1.133 CC1(SCC(S1)CO)C MCULE-2240931125 [1,1,0,0,0,0|0,2,0]=4 667 B9R1.133 FC1(COC(C1)CI)F MCULE-6356743478 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.58 CCOC1CC(C1)CO MCULE-8200075252 [0,1,0,0,1,0|2,0,0]=4 669 B9R1.95 CC(C)C1CC(C1)CO MCULE-8967711451 [0,1,0,0,1,0|2,0,0]=4 670 B11R1.266 CC(C)C1CC(CCO1)CO MCULE-6145121225 [0,1,0,0,0,1|2,0,0]=4 671 B11R1.45 ClCC1COC(O1)C(Cl)(Cl)Cl MCULE-4570107137 [0,2,0,0,0,0|1,1,0]=4 672 B11R1.45 FC(F)(F)C1CCC(O1)CI MCULE-3999248706 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.187 CCOC1CC(C(O1)CO)O MCULE-2861181296 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.977 NCC1OC(C(C1O)O)CO MCULE-1499136645 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.977 NC[C@H]1O[C@@H]([C@H]([C@@H]1O)O)CO MCULE-4062398173 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.977 OCC1OC(C(C1O)O)CO MCULE-5241214494 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.977 OC[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)CO MCULE-1141652344 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.977 OC[C@H]1O[C@@H]([C@H]([C@@H]1O)O)CO MCULE-5497148156 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.977 OC[C@H]1O[C@@H]([C@H]([C@@H]1O)O)CO MCULE-8446951266 [0,2,0,0,0,0|2,0,0]=4 680 B9R1.1 NCC1CCC(CO1)O MCULE-3286854000 [0,0,1,1,0,0|2,0,0]=4 681 B9R1.1 OCC1CCC(CC1)O MCULE-2821884453 [0,0,1,1,0,0|2,0,0]=4 682 B9R1.1 OCC1CCC(CO1)O MCULE-4333559257 [0,0,1,1,0,0|2,0,0]=4 683 B9R1.1 OC[C@H]1CC[C@@H](CC1)O MCULE-4903112146 [0,0,1,1,0,0|2,0,0]=4 684 B9R1.1 OC[C@H]1CC[C@H](CC1)O MCULE-5364161264 [0,0,1,1,0,0|2,0,0]=4 685 B9R1.2 CC1CNCC(O1)CO MCULE-6915504187 [0,0,1,1,0,0|2,0,0]=4 686 B9R1.2 CCC1CC(CCO1)O MCULE-2215415390 [0,0,1,1,0,0|2,0,0]=4 687 B9R1.2 C[C@@H]1CNC[C@H](O1)CO MCULE-4030187082 [0,0,1,1,0,0|2,0,0]=4 688 B9R1.2 C[C@@H]1CNC[C@H](O1)CO MCULE-8521542499 [0,0,1,1,0,0|2,0,0]=4 689 B9R1.2 C[C@H]1CNC[C@H](O1)CO MCULE-6331587635 [0,0,1,1,0,0|2,0,0]=4 690 B9R1.2 C[C@H]1CNC[C@H](O1)CO MCULE-6791243811 [0,0,1,1,0,0|2,0,0]=4 691 B9R1.2 [C@H]1(CNC[C@@H](O1)CO)C MCULE-4259776230 [0,0,1,1,0,0|2,0,0]=4 692 B9R1.3 CC1OCCC(C1O)O MCULE-6494583965 [0,0,1,1,0,0|2,0,0]=4 693 B9R1.3 C[C@@H]1CNC[C@@H]([C@@H]1O)O MCULE-4065345114 [0,0,1,1,0,0|2,0,0]=4 694 B9R1.3 C[C@@H]1CNC[C@@H]([C@@H]1O)O MCULE-5732596905 [0,0,1,1,0,0|2,0,0]=4 695 B9R1.3 C[C@H]1CNC[C@@H]([C@@H]1O)O MCULE-3640440568 [0,0,1,1,0,0|2,0,0]=4 696 B9R1.3 C[C@H]1CNC[C@@H]([C@@H]1O)O MCULE-9501528896 [0,0,1,1,0,0|2,0,0]=4 697 B9R1.3 NC1C(CCCC1O)O MCULE-1978359416 [0,0,1,1,0,0|2,0,0]=4 698 B9R1.3 N[C@@H]1CCC[C@H]([C@@H]1O)O MCULE-7294484287 [0,0,1,1,0,0|2,0,0]=4 699 B9R1.3 N[C@H]1CCC[C@@H]([C@@H]1O)O MCULE-4901407173 [0,0,1,1,0,0|2,0,0]=4 700 B9R1.3 N[C@H]1CCC[C@H]([C@@H]1O)O MCULE-2706489441 [0,0,1,1,0,0|2,0,0]=4 701 B9R1.3 OC1CCCC(C1O)O MCULE-2835511427 [0,0,1,1,0,0|2,0,0]=4 702 B9R1.3 [C@@H]1(CCC[C@H]([C@@H]1N)O)O MCULE-9327450801 [0,0,1,1,0,0|2,0,0]=4 703 B9R1.5 OC1CCCCCC1O MCULE-7682077273 [0,0,1,1,0,0|2,0,0]=4 704 B9R1.5 O[C@H]1CCCCC[C@@H]1O MCULE-9651607332 [0,0,1,1,0,0|2,0,0]=4 705 B9R1.11 NC(CO)C1CCCO1 MCULE-1115414738 [0,0,1,1,0,0|2,0,0]=4 706 B9R1.11 NCC(O)C1CCCO1 MCULE-1674634827 [0,0,1,1,0,0|2,0,0]=4 707 B9R1.17 OCCCOC1CCC1 MCULE-8275221962 [0,0,1,1,0,0|2,0,0]=4 708 B9R1.17 OCCCOC1COC1 MCULE-4049269381 [0,0,1,1,0,0|2,0,0]=4 709 B9R1.89 BrCC1OCCCCO1 MCULE-3435142846 [0,0,1,1,0,0|1,1,0]=4 710 B9R1.89 ICC1CCCCCO1 MCULE-8717458528 [0,0,1,1,0,0|2,0,0]=4 711 B9R1.89 OCC1CNCCCO1 MCULE-7903525804 [0,0,1,1,0,0|2,0,0]=4 712 B9R1.89 OCC1CNCCCO1 MCULE-9908272497 [0,0,1,1,0,0|2,0,0]=4 713 B9R1.89 OCC1CNCCOC1 MCULE-9049672869 [0,0,1,1,0,0|2,0,0]=4 714 B9R1.89 OCC1COCCOC1 MCULE-3330785002 [0,0,1,1,0,0|2,0,0]=4 715 B9R1.89 OC[C@@H]1CNCCCO1 MCULE-3544932007 [0,0,1,1,0,0|2,0,0]=4 716 B9R1.89 OC[C@@H]1CNCCCO1 MCULE-4726628241 [0,0,1,1,0,0|2,0,0]=4 717 B9R1.89 OC[C@@H]1CNCCCO1 MCULE-5225680882 [0,0,1,1,0,0|2,0,0]=4 718 B9R1.89 OC[C@@H]1CNCCCO1 MCULE-5475510815 [0,0,1,1,0,0|2,0,0]=4 719 B9R1.89 OC[C@H]1CNCCCO1 MCULE-2922219127 [0,0,1,1,0,0|2,0,0]=4 720 B9R1.89 OC[C@H]1CNCCCO1 MCULE-3177968218 [0,0,1,1,0,0|2,0,0]=4 721 B9R1.89 OC[C@H]1CNCCCO1 MCULE-3793527665 [0,0,1,1,0,0|2,0,0]=4 722 B9R1.89 OC[C@H]1CNCCCO1 MCULE-7260252629 [0,0,1,1,0,0|2,0,0]=4 723 B9R1.118 CC1(CCCOC1)CO MCULE-5818698089 [0,0,1,1,0,0|2,0,0]=4 724 B9R1.118 CC1(COCCN1)CO MCULE-1204894568 [0,0,1,1,0,0|2,0,0]=4 725 B9R1.118 CC1(COCCO1)CO MCULE-2402682578 [0,0,1,1,0,0|2,0,0]=4 726 B9R1.118 CC1(OCCCO1)CN MCULE-9244283541 [0,0,1,1,0,0|2,0,0]=4 727 B9R1.118 NCC1(CCCOC1)O MCULE-3380684017 [0,0,1,1,0,0|2,0,0]=4 728 B9R1.118 OCC1(CCCCC1)O MCULE-4401054903 [0,0,1,1,0,0|2,0,0]=4 729 B9R1.118 OCC1(CCCNC1)O MCULE-2181561679 [0,0,1,1,0,0|2,0,0]=4 730 B9R1.118 OCC1(CCCNC1)O MCULE-5468132031 [0,0,1,1,0,0|2,0,0]=4 731 B9R1.118 OCC1(CCCOC1)F MCULE-7902519614 [0,0,1,1,0,0|2,0,0]=4 732 B9R1.12 BrCCOC1CCOC1 MCULE-3041238514 [0,0,1,1,0,0|1,1,0]=4 733 B9R1.12 NCCOC1CCOC1 MCULE-4167519990 [0,0,1,1,0,0|2,0,0]=4 734 B9R1.12 OCCCC1CCCO1 MCULE-9721808816 [0,0,1,1,0,0|2,0,0]=4 735 B9R1.12 OCCOC1CCCC1 MCULE-7114927075 [0,0,1,1,0,0|2,0,0]=4 736 B9R1.12 OCCOC1CCOC1 MCULE-6665065123 [0,0,1,1,0,0|2,0,0]=4 737 B9R1.15 CO[C@@H]1CCCC[C@H]1I MCULE-4229510302 [0,0,1,1,0,0|2,0,0]=4 738 B9R1.15 OCC1CCCCC1O MCULE-1945714569 [0,0,1,1,0,0|2,0,0]=4 739 B9R1.15 OCC1NCCCC1O MCULE-4567185313 [0,0,1,1,0,0|2,0,0]=4 740 B9R1.15 OCC1NCCCC1O MCULE-6603271501 [0,0,1,1,0,0|2,0,0]=4 741 B9R1.15 OC[C@H]1OCC=C[C@@H]1O MCULE-3248185970 [0,0,1,1,0,0|1,0,1]=4 742 B9R1.70 OCC(CO)C1CCC1 MCULE-1317295718 [0,0,1,1,0,0|2,0,0]=4 743 B9R1.120 CC1CCC1(CO)CO MCULE-7776828217 [0,0,1,1,0,0|2,0,0]=4 744 B9R1.204 CCC1(OCCO1)CC MCULE-9964769270 [0,0,1,1,0,0|2,0,0]=4 745 B9R1.204 OCC1(CCCC1)CO MCULE-6896331863 [0,0,1,1,0,0|2,0,0]=4 746 B9R1.204 OCC1(CCCN1)CO MCULE-8513711939 [0,0,1,1,0,0|2,0,0]=4 747 B9R1.204 OCC1(CCCO1)CO MCULE-2056655928 [0,0,1,1,0,0|1,0,0]=3 748 B9R1.37 CC1OC(C(C1O)O)O MCULE-7774087123 [0,0,1,1,0,0|1,0,0]=3 749 B9R2.39 NC1CC2CCC1O2 MCULE-7005194127 [1,0,0,1,0,0|2,0,0]=4 750 B9R2.39 NC1CC2CCC1O2 MCULE-9938013447 [1,0,0,1,0,0|2,0,0]=4 751 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1O2 MCULE-1567634529 [1,0,0,1,0,0|2,0,0]=4 752 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1O2 MCULE-3673875552 [1,0,0,1,0,0|2,0,0]=4 753 B9R2.39 OC1CC2CC1CN2 MCULE-1326051035 [1,0,0,1,0,0|2,0,0]=4 754 B9R2.39 OC1CC2CC1CN2 MCULE-9945384104 [1,0,0,1,0,0|2,0,0]=4 755 B9R2.39 OC1CC2CCC1C2 MCULE-6414891759 [1,0,0,1,0,0|2,0,0]=4 756 B9R2.39 OC1CC2CCC1N2 MCULE-1605436075 [1,0,0,1,0,0|2,0,0]=4 757 B9R2.39 OC1CC2CCC1N2 MCULE-1761281414 [1,0,0,1,0,0|2,0,0]=4 758 B9R2.39 OC1CC2CCC1O2 MCULE-3124193235 [1,0,0,1,0,0|1,0,0]=3 759 B9R2.39 OC1C[C@@H]2CC[C@H]1C2 MCULE-9639323400 [1,0,0,1,0,0|2,0,0]=4 760 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1C2 MCULE-4979276205 [1,0,0,1,0,0|2,0,0]=4 761 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 MCULE-3144398733 [1,0,0,1,0,0|2,0,0]=4 762 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 MCULE-7894832313 [1,0,0,1,0,0|2,0,0]=4 763 B9R2.39 O[C@@H]1C[C@@H]2C[C@H]1CN2 MCULE-6890871381 [1,0,0,1,0,0|2,0,0]=4 764 B9R2.39 O[C@@H]1C[C@@H]2C[C@H]1CN2 MCULE-9981789594 [1,0,0,1,0,0|2,0,0]=4 765 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 MCULE-6071426979 [1,0,0,1,0,0|2,0,0]=4 766 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 MCULE-1633391346 [1,0,0,1,0,0|2,0,0]=4 767 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 MCULE-9461548760 [1,0,0,1,0,0|2,0,0]=4 768 B9R2.39 O[C@H]1C[C@@H]2C[C@H]1CN2 MCULE-2620883448 [1,0,0,1,0,0|2,0,0]=4 769 B9R2.39 O[C@H]1C[C@@H]2C[C@H]1CN2 MCULE-8888575594 [1,0,0,1,0,0|2,0,0]=4 770 B9R2.39 [C@@H]1(C[C@@H]2CC[C@H]1C2)O MCULE-6218681459 [1,0,0,1,0,0|2,0,0]=4 771 B9R2.39 [C@@H]12CC[C@@H](N1)[C@@H](C2)O MCULE-3428651950 [1,0,0,1,0,0|2,0,0]=4 772 B9R2.39 [C@@H]12CC[C@@H](N1)[C@@H](C2)O MCULE-5974580174 [1,0,0,1,0,0|2,0,0]=4 773 B9R2.39 [C@@H]12CC[C@@H](N1)[C@@H](C2)O MCULE-6305413134 [1,0,0,1,0,0|2,0,0]=4 774 B9R2.39 [C@@H]12CC[C@@H](N1)[C@@H](C2)O MCULE-7062654568 [1,0,0,1,0,0|2,0,0]=4 775 B9R2.39 [C@@H]12CC[C@@H](N1)[C@H](C2)O MCULE-4291985781 [1,0,0,1,0,0|2,0,0]=4 776 B9R2.39 [C@@H]12CC[C@@H](N1)[C@H](C2)O MCULE-8663774893 [1,0,0,1,0,0|2,0,0]=4 777 B9R2.39 [C@@H]12CC[C@@H](O1)[C@@H](C2)N MCULE-3840560284 [1,0,0,1,0,0|2,0,0]=4 778 B9R2.39 [C@@H]12CC[C@@H](O1)[C@@H](C2)N MCULE-6488455225 [1,0,0,1,0,0|2,0,0]=4 779 B9R2.39 [C@@H]12CC[C@@H](O1)[C@H](C2)O MCULE-2630669259 [1,0,0,1,0,0|1,0,0]=3 780 B9R2.39 [C@H]12CC[C@H](C1)CC2O MCULE-7175651186 [1,0,0,1,0,0|2,0,0]=4 781 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](C2)O MCULE-4118507960 [1,0,0,1,0,0|2,0,0]=4 782 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](C2)O MCULE-9141970579 [1,0,0,1,0,0|2,0,0]=4 783 B9R2.39 [C@H]12CC[C@H](C1)[C@H](C2)O MCULE-4746309717 [1,0,0,1,0,0|2,0,0]=4 784 B9R2.39 [C@H]12CC[C@H](C1)[C@H](C2)O MCULE-5454625797 [1,0,0,1,0,0|2,0,0]=4 785 B9R2.61 BrCC12COC(C1)C2 MCULE-3940727090 [1,0,0,1,0,0|2,0,0]=4 786 B9R2.61 ICC12CC(C1)CO2 MCULE-8496119270 [1,0,0,1,0,0|1,0,0]=3 787 B9R2.61 NCC12CC(C1)CO2 MCULE-5539586158 [1,0,0,1,0,0|2,0,0]=4 788 B9R2.61 NCC12CC(C1)CO2 MCULE-7026364577 [1,0,0,1,0,0|2,0,0]=4 789 B9R2.61 NCC12COC(C1)C2 MCULE-1748666126 [1,0,0,1,0,0|2,0,0]=4 790 B9R2.61 NCC12COC(C1)C2 MCULE-1876641045 [1,0,0,1,0,0|2,0,0]=4 791 B9R2.61 OCC12CC(C1)CO2 MCULE-8012284802 [1,0,0,1,0,0|2,0,0]=4 792 B9R2.61 OCC12CCC(C1)C2 MCULE-9561970787 [1,0,0,1,0,0|2,0,0]=4 793 B9R2.61 OCC12COC(C1)C2 MCULE-1603753975 [1,0,0,1,0,0|1,0,0]=3 794 B9R2.68 C1CC2CNCC1O2 MCULE-4093579653 [1,0,0,1,0,0|2,0,0]=4 795 B9R2.68 C1CC2CNCC1O2 MCULE-7085546243 [1,0,0,1,0,0|2,0,0]=4 796 B9R2.68 C1CC2COCC1N2 MCULE-4364135558 [1,0,0,1,0,0|2,0,0]=4 797 B9R2.68 C1CC2COCC1N2 MCULE-4651198099 [1,0,0,1,0,0|2,0,0]=4 798 B9R2.68 C1CC2COCC1N2 MCULE-6438572612 [1,0,0,1,0,0|2,0,0]=4 799 B9R2.68 C1C[C@@H]2CNC[C@H]1O2 MCULE-4494116231 [1,0,0,1,0,0|2,0,0]=4 800 B9R2.68 C1C[C@@H]2COC[C@H]1N2 MCULE-3233873038 [1,0,0,1,0,0|2,0,0]=4 801 B9R2.68 C1NCC2CC1CO2 MCULE-4813815121 [1,0,0,1,0,0|2,0,0]=4 802 B9R2.68 C1NCC2CC1CO2 MCULE-9557401424 [1,0,0,1,0,0|2,0,0]=4 803 B9R2.68 [C@@H]12CC[C@@H](N1)COC2 MCULE-3554003344 [1,0,0,1,0,0|2,0,0]=4 804 B9R2.68 [C@@H]12CC[C@@H](N1)COC2 MCULE-3809152526 [1,0,0,1,0,0|2,0,0]=4 805 B9R2.68 [C@@H]12CC[C@@H](O1)CNC2 MCULE-9999049079 [1,0,0,1,0,0|2,0,0]=4 806 B9R2.139 OC1COC2(C1)CC2 MCULE-8380013040 [1,0,0,1,0,0|2,0,0]=4 807 B9R2.156 OCC1CC2(C1)CC2 MCULE-3153759630 [0,0,0,1,1,0|2,0,0]=4 808 B11R2.1012 OCC1CCC2(CC2)CO1 MCULE-7032156642 [0,0,0,1,0,1|2,0,0]=4 809 B11R2.1012 OCC1OCC2(CC2)CO1 MCULE-8094647367 [0,0,0,1,0,1|2,0,0]=4 810 B11R2.2086 ICC12CCC(CC1)CO2 MCULE-2366855840 [0,0,0,1,0,1|2,0,0]=4 811 B11R2.2086 OCC12CCC(CC1)CO2 MCULE-2833609830 [0,0,0,1,0,1|2,0,0]=4 812 B11R2.2086 OCC12CCC(CC1)OC2 MCULE-7983615706 [0,0,0,1,0,1|2,0,0]=4 813 B11R2.16 OCC1CC2CCC(C1)O2 MCULE-8911405357 [0,0,0,1,0,1|2,0,0]=4 814 B11R2.21 ICC1CCC(O1)C2CC2 MCULE-2834040570 [0,1,0,1,0,0|2,0,0]=4 815 B11R2.15 ICC1CC2COCC2O1 MCULE-5697875493 [0,1,0,1,0,0|1,0,0]=3 816 B11R2.15 OCC1CC2CNCC2O1 MCULE-4986325524 [0,1,0,1,0,0|2,0,0]=4 817 B11R2.15 OCC1C[C@@H]2CNC[C@@H]2O1 MCULE-4375023657 [0,1,0,1,0,0|2,0,0]=4 818 B11R2.15 OCC1C[C@H]2CNC[C@H]2O1 MCULE-5364634073 [0,1,0,1,0,0|2,0,0]=4 819 B11R2.15 OCC1C[C@H]2CNC[C@H]2O1 MCULE-7082918551 [0,1,0,1,0,0|2,0,0]=4 820 B11R2.191 ICC1OCC2C1OCC2 MCULE-6924746043 [0,1,0,1,0,0|1,0,0]=3 821 B11R2.191 OCC1COC2C1CCO2 MCULE-5980890126 [0,1,0,1,0,0|2,0,0]=4 822 B11R2.1009 ICC1CC2(CCC2)CO1 MCULE-1133510117 [0,1,0,1,0,0|2,0,0]=4 823 B11R2.1009 ICC1CCC2(O1)CCC2 MCULE-7186676076 [0,1,0,1,0,0|2,0,0]=4 824 B11R2.1009 ICC1CCC2(O1)COC2 MCULE-6748585573 [0,1,0,1,0,0|1,0,0]=3 825 B11R2.1009 NCC1CCC2(O1)COC2 MCULE-4589551566 [0,1,0,1,0,0|2,0,0]=4 826 B11R2.1009 OCC1COC2(C1)CCC2 MCULE-3697997813 [0,1,0,1,0,0|2,0,0]=4 827 B11R2.1009 OCC1COC2(C1)COC2 MCULE-7627441816 [0,1,0,1,0,0|2,0,0]=4 828 B11R2.2527 NCC12CC(C1)(CO2)CO MCULE-3223033995 [0,1,0,1,0,0|2,0,0]=4 829 B11R2.2527 NCC12CC(C1)(CO2)CO MCULE-9889375593 [0,1,0,1,0,0|2,0,0]=4 830 B11R2.2527 OCC12COC(C1)(C2)CI MCULE-6204794190 [0,1,0,1,0,0|1,0,0]=3 831 B7R0.10 CCC(C)C(O)CC MCULE-3936368693 [0,0,1,0,1,0|2,0,0]=4 832 B7R0.10 CCC(C)C(O)CN MCULE-1941564207 [0,0,1,0,1,0|2,0,0]=4 833 B7R0.10 CCC(C)C(O)CO MCULE-9999862073 [0,0,1,0,1,0|2,0,0]=4 834 B7R0.10 CCC(O)C(C)CO MCULE-3930931405 [0,0,1,0,1,0|1,0,0]=3 835 B7R0.10 CCC(O)C(C)CO MCULE-4472852672 [0,0,1,0,1,0|1,0,0]=3 836 B7R0.10 CCC(S)C(C)CO MCULE-1500370684 [0,0,1,0,1,0|1,1,0]=4 837 B7R0.10 OCC(O)C(O)CO MCULE-9009953851 [0,0,1,0,1,0|2,0,0]=4 838 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-1593828237 [0,0,1,0,1,0|2,0,0]=4 839 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-7577661973 [0,0,1,0,1,0|2,0,0]=4 840 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-7306394407 [0,0,1,0,1,0|2,0,0]=4 841 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-8013265935 [0,0,1,0,1,0|2,0,0]=4 842 B7R0.10 OC[C@H](O)[C@H](O)CO MCULE-6886999157 [0,0,1,0,1,0|2,0,0]=4 843 B7R1.8 CC1CCC1CO MCULE-4677269341 [1,0,0,0,1,0|1,0,0]=3 844 B7R1.8 CN1CCC1CO MCULE-3475629266 [1,0,0,0,1,0|2,0,0]=4 845 B7R1.8 CN1CC[C@@H]1CO MCULE-2590783241 [1,0,0,0,1,0|2,0,0]=4 846 B7R1.8 CN1CC[C@@H]1CO MCULE-9683847113 [1,0,0,0,1,0|2,0,0]=4 847 B7R1.8 CN1CC[C@H]1CO MCULE-6507300625 [1,0,0,0,1,0|2,0,0]=4 848 B7R1.8 CN1CC[C@H]1CO MCULE-9641004134 [1,0,0,0,1,0|2,0,0]=4 849 B7R1.8 OCC1CCC1F MCULE-2481035584 [1,0,0,0,1,0|1,1,0]=4 850 B7R1.8 OCC1CCC1O MCULE-9764745395 [1,0,0,0,1,0|2,0,0]=4 851 B7R1.8 OC[C@@H]1CC[C@H]1O MCULE-5043281368 [1,0,0,0,1,0|2,0,0]=4 852 B7R1.8 OC[C@H]1CC[C@H]1O MCULE-1536326248 [1,0,0,0,1,0|2,0,0]=4 853 B7R1.10 CC1CC(C1)CBr MCULE-3814375250 [1,0,0,0,1,0|1,1,0]=4 854 B7R1.10 CC1CC(C1)CN MCULE-4821587591 [1,0,0,0,1,0|2,0,0]=4 855 B7R1.10 CC1CC(C1)CN MCULE-8372628495 [1,0,0,0,1,0|2,0,0]=4 856 B7R1.10 CC1CC(C1)CO MCULE-5730978355 [1,0,0,0,1,0|1,0,0]=3 857 B7R1.10 CN1CC(C1)CO MCULE-7263385340 [1,0,0,0,1,0|2,0,0]=4 858 B7R1.10 CN1CC(C1)CO MCULE-8892079014 [1,0,0,0,1,0|2,0,0]=4 859 B7R1.10 NC1CC(C1)CO MCULE-4549811698 [1,0,0,0,1,0|2,0,0]=4 860 B7R1.10 NC1CC(C1)CO MCULE-9310533439 [1,0,0,0,1,0|2,0,0]=4 861 B7R1.10 NCC1CC(C1)O MCULE-1448807479 [1,0,0,0,1,0|2,0,0]=4 862 B7R1.10 NCC1CC(C1)O MCULE-5095960848 [1,0,0,0,1,0|2,0,0]=4 863 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-2155101378 [1,0,0,0,1,0|2,0,0]=4 864 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-3237212031 [1,0,0,0,1,0|2,0,0]=4 865 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-3137766844 [1,0,0,0,1,0|2,0,0]=4 866 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-6173771659 [1,0,0,0,1,0|2,0,0]=4 867 B7R1.10 N[C@H]1C[C@@H](C1)CO MCULE-1976271596 [1,0,0,0,1,0|2,0,0]=4 868 B7R1.10 N[C@H]1C[C@@H](C1)CO MCULE-2004610084 [1,0,0,0,1,0|2,0,0]=4 869 B7R1.10 N[C@H]1C[C@H](C1)CO MCULE-3406959231 [1,0,0,0,1,0|2,0,0]=4 870 B7R1.10 N[C@H]1C[C@H](C1)CO MCULE-9771399616 [1,0,0,0,1,0|2,0,0]=4 871 B7R1.10 OC1CC(C1)CBr MCULE-8641406432 [1,0,0,0,1,0|1,1,0]=4 872 B7R1.10 OC1CC(C1)CF MCULE-9152872996 [1,0,0,0,1,0|1,1,0]=4 873 B7R1.10 OCC1CC(C1)Br MCULE-6426656913 [1,0,0,0,1,0|1,1,0]=4 874 B7R1.10 OCC1CC(C1)Cl MCULE-8102550006 [1,0,0,0,1,0|1,1,0]=4 875 B7R1.10 OCC1CC(C1)F MCULE-8343173774 [1,0,0,0,1,0|1,1,0]=4 876 B7R1.10 OCC1CC(C1)O MCULE-3885216336 [1,0,0,0,1,0|2,0,0]=4 877 B7R1.10 OC[C@H]1C[C@H](C1)O MCULE-2350233032 [1,0,0,0,1,0|2,0,0]=4 878 B7R1.10 O[C@H]1C[C@H](C1)CF MCULE-2417083162 [1,0,0,0,1,0|1,1,0]=4 879 B7R1.9 C#CC1CC1CO MCULE-9506693915 [0,0,0,0,2,0|1,0,1]=4 880 B7R1.9 C#C[C@H]1C[C@H]1CO MCULE-5176741676 [0,0,0,0,2,0|1,0,1]=4 881 B7R1.9 CCC1CC1CN MCULE-6264158284 [0,0,0,0,2,0|2,0,0]=4 882 B7R1.9 CCC1CC1CN MCULE-7047201371 [0,0,0,0,2,0|2,0,0]=4 883 B7R1.9 CCC1CC1CO MCULE-3342087238 [0,0,0,0,2,0|1,0,0]=3 884 B7R1.9 N#CC1CC1CO MCULE-7679796035 [0,0,0,0,2,0|1,0,1]=4 885 B7R1.9 NCC1CC1CN MCULE-2708697512 [0,0,0,0,2,0|2,0,0]=4 886 B7R1.9 NCC1CC1CN MCULE-8017169356 [0,0,0,0,2,0|2,0,0]=4 887 B7R1.9 NCC1CC1CO MCULE-2679526126 [0,0,0,0,2,0|1,0,0]=3 888 B7R1.9 NC[C@@H]1C[C@H]1CN MCULE-1460900772 [0,0,0,0,2,0|2,0,0]=4 889 B7R1.9 NC[C@@H]1C[C@H]1CN MCULE-5609779965 [0,0,0,0,2,0|2,0,0]=4 890 B7R1.9 NC[C@H]1C[C@@H]1CO MCULE-4100547975 [0,0,0,0,2,0|1,0,0]=3 891 B7R1.9 NC[C@H]1C[C@H]1CN MCULE-4880621233 [0,0,0,0,2,0|2,0,0]=4 892 B7R1.9 NC[C@H]1C[C@H]1CN MCULE-9980954134 [0,0,0,0,2,0|2,0,0]=4 893 B7R1.9 NC[C@H]1C[C@H]1CO MCULE-4756509186 [0,0,0,0,2,0|1,0,0]=3 894 B7R1.9 OCC1CC1CO MCULE-5153064657 [0,0,0,0,2,0|1,0,0]=3 895 B7R1.9 OC[C@H]1C[C@H]1CO MCULE-9036138013 [0,0,0,0,2,0|1,0,0]=3 896 B9R1.14 CCC1CNCC1CO MCULE-2035722014 [0,0,0,0,1,1|2,0,0]=4 897 B9R1.14 CCC1NCCC1CO MCULE-7281322099 [0,0,0,0,1,1|2,0,0]=4 898 B9R1.14 CC[C@H]1CNC[C@@H]1CO MCULE-1076286750 [0,0,0,0,1,1|2,0,0]=4 899 B9R1.14 CC[C@H]1CNC[C@@H]1CO MCULE-9319128709 [0,0,0,0,1,1|2,0,0]=4 900 B9R1.14 OCC1CNCC1CO MCULE-3216303466 [0,0,0,0,1,1|2,0,0]=4 901 B9R1.14 OCC1CNCC1CO MCULE-8556792970 [0,0,0,0,1,1|2,0,0]=4 902 B9R1.14 OC[C@@H]1CNC[C@@H]1CO MCULE-5441133280 [0,0,0,0,1,1|2,0,0]=4 903 B9R1.14 OC[C@@H]1CNC[C@@H]1CO MCULE-8785740812 [0,0,0,0,1,1|2,0,0]=4 904 B9R1.14 OC[C@@H]1CNC[C@H]1CO MCULE-1923940000 [0,0,0,0,1,1|2,0,0]=4 905 B9R1.14 OC[C@@H]1CNC[C@H]1CO MCULE-8086146822 [0,0,0,0,1,1|2,0,0]=4 906 B9R1.14 OC[C@H]1CNC[C@@H]1CO MCULE-3807624796 [0,0,0,0,1,1|2,0,0]=4 907 B9R1.14 OC[C@H]1CNC[C@@H]1CO MCULE-7784303809 [0,0,0,0,1,1|2,0,0]=4