0 B7R1.2 C1(CCN(C1)C)N MCULE-3665102712 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 C1(CCN(C1)C)O MCULE-5142099784 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.2 C=C1C=CC(=O)O1 MCULE-1046353319 [0,0,0,0,0,0|0,0,4]=4 7 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,0,0,0,0,0|0,0,2]=2 8 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,0,0,0,0,0|1,0,1]=2 9 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,0,0,0,0,0|2,0,1]=3 10 B7R1.2 CC1=CC(=O)N=N1 MCULE-8356895370 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,0,0,0,0,0|2,0,1]=3 13 B7R1.2 CC1=CC=C(O1)Br MCULE-2815956180 [0,0,0,0,0,0|1,0,3]=4 14 B7R1.2 CC1=CC=C(O1)C MCULE-2776549830 [0,0,0,0,0,0|1,0,3]=4 15 B7R1.2 CC1=CC=C(O1)N MCULE-5583871788 [0,0,0,0,0,0|1,0,3]=4 16 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,0,0,0,0,0|0,0,2]=2 17 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,0,0,0,0,0|0,0,2]=2 18 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [0,0,0,0,0,0|0,1,2]=3 19 B7R1.2 CC1=CN=C(O1)Br MCULE-3952379614 [0,0,0,0,0,0|2,0,2]=4 20 B7R1.2 CC1=CN=C(O1)C MCULE-8416988900 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.2 CC1=CN=C(O1)Cl MCULE-1762464687 [0,0,0,0,0,0|2,0,2]=4 22 B7R1.2 CC1=CN=C(O1)Cl MCULE-3921580627 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.2 CC1=CN=C(O1)I MCULE-4568617242 [0,0,0,0,0,0|2,0,2]=4 24 B7R1.2 CC1=CN=C(O1)N MCULE-5846833894 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [0,0,0,0,0,0|2,0,2]=4 27 B7R1.2 CC1=NC(=O)N=N1 MCULE-2642903272 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.2 CC1=NC(=O)NN1 MCULE-7112378155 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [0,0,0,0,0,0|2,0,0]=2 30 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.2 CC1=NC(CS1)C MCULE-8843957654 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.2 CC1=NC=C(O1)Br MCULE-1770948017 [0,0,0,0,0,0|2,0,2]=4 33 B7R1.2 CC1=NC=C(O1)Br MCULE-4635846619 [0,0,0,0,0,0|2,0,2]=4 34 B7R1.2 CC1=NC=C(O1)N MCULE-9670426348 [0,0,0,0,0,0|2,0,2]=4 35 B7R1.2 CC1=NN=C(O1)Br MCULE-4777799057 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.2 CC1=NN=C(O1)C MCULE-8675560585 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.2 CC1=NN=C(O1)Cl MCULE-9822886021 [0,0,0,0,0,0|3,0,1]=4 38 B7R1.2 CC1=NN=C(O1)I MCULE-5284769897 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.2 CC1=NN=C(O1)N MCULE-4286573489 [0,0,0,0,0,0|3,0,1]=4 40 B7R1.2 CC1=NN=C(O1)O MCULE-8136744513 [0,0,0,0,0,0|2,0,2]=4 41 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.2 CC1=NNC(=S)O1 MCULE-1357179698 [0,0,0,0,0,0|2,1,1]=4 43 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [0,0,0,0,0,0|3,0,1]=4 44 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [0,0,0,0,0,0|3,0,1]=4 45 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,0,0,0,0,0|2,0,1]=3 46 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [0,0,0,0,0,0|0,0,2]=2 47 B7R1.2 CC1CC(=NO1)N MCULE-8353889650 [0,0,0,0,0,0|4,0,0]=4 48 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,0,0,0,0,0|2,0,0]=2 49 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [0,0,0,0,0,0|2,0,0]=2 50 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [0,0,0,0,0,0|3,0,0]=3 51 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [0,0,0,0,0,0|3,0,0]=3 52 B7R1.2 CC1CC(CN1)F MCULE-5211772527 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.2 CC1CC(CN1)F MCULE-6845898511 [0,0,0,0,0,0|3,0,1]=4 54 B7R1.2 CC1CC(CN1)O MCULE-5630063862 [0,0,0,0,0,0|2,0,2]=4 55 B7R1.2 CC1CC(CN1)O MCULE-7427731937 [0,0,0,0,0,0|2,0,2]=4 56 B7R1.2 CC1CC(CO1)N MCULE-5031195609 [0,0,0,0,0,0|3,0,1]=4 57 B7R1.2 CC1CC(CO1)N MCULE-6627149239 [0,0,0,0,0,0|3,0,1]=4 58 B7R1.2 CC1CC(CO1)O MCULE-1304022283 [0,0,0,0,0,0|2,0,2]=4 59 B7R1.2 CC1CC(CS1)N MCULE-2886562999 [0,0,0,0,0,0|3,0,1]=4 60 B7R1.2 CC1CCC(=N1)N MCULE-3470792627 [0,0,0,0,0,0|2,0,0]=2 61 B7R1.2 CC1CCC(=N1)N MCULE-7952001291 [0,0,0,0,0,0|2,0,0]=2 62 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [0,0,0,0,0,0|1,0,0]=1 63 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,0,0,0,0,0|1,0,0]=1 64 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,0,0,0,0,0|1,0,0]=1 65 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,0,0,0,0,0|0,0,0]=0 66 B7R1.2 CC1CCC(C1)Br MCULE-3834311364 [0,0,0,0,0,0|2,0,1]=3 67 B7R1.2 CC1CCC(C1)Cl MCULE-7669391571 [0,0,0,0,0,0|2,0,1]=3 68 B7R1.2 CC1CCC(C1)N MCULE-3681457592 [0,0,0,0,0,0|2,0,1]=3 69 B7R1.2 CC1CCC(C1)N MCULE-8238390084 [0,0,0,0,0,0|2,0,1]=3 70 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [0,0,0,0,0,0|1,0,2]=3 71 B7R1.2 CC1CCC(N1)C MCULE-8652550641 [0,0,0,0,0,0|2,0,1]=3 72 B7R1.2 CC1CCC(N1)C MCULE-9945795318 [0,0,0,0,0,0|2,0,1]=3 73 B7R1.2 CC1CCC(O1)C MCULE-6766843462 [0,0,0,0,0,0|1,0,1]=2 74 B7R1.2 CC1CC[C@H](N1)C MCULE-7537248866 [0,0,0,0,0,0|2,0,1]=3 75 B7R1.2 CC1CC[C@H](N1)C MCULE-8839413924 [0,0,0,0,0,0|2,0,1]=3 76 B7R1.2 CC1CN=C(O1)N MCULE-2936787754 [0,0,0,0,0,0|2,0,0]=2 77 B7R1.2 CC1CN=C(O1)N MCULE-5542499755 [0,0,0,0,0,0|2,0,0]=2 78 B7R1.2 CC1CN=C(S1)N MCULE-5641549444 [0,0,0,0,0,0|2,1,0]=3 79 B7R1.2 CC1CN=C(S1)N MCULE-9229369376 [0,0,0,0,0,0|2,1,0]=3 80 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,0,0,0,0,0|2,0,0]=2 81 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,0,0,0,0,0|2,0,0]=2 82 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,0,0,0,0,0|1,0,0]=1 83 B7R1.2 CC1CNC(=S)N1 MCULE-5305006156 [0,0,0,0,0,0|2,1,0]=3 84 B7R1.2 CC1CNC(=S)S1 MCULE-1131079445 [0,0,0,0,0,0|1,2,0]=3 85 B7R1.2 CC1CNC(C1)C MCULE-3051496448 [0,0,0,0,0,0|3,0,1]=4 86 B7R1.2 CC1CNC(C1)C MCULE-9324057254 [0,0,0,0,0,0|3,0,1]=4 87 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,0,0,0,0,0|2,0,0]=2 88 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,0,0,0,0,0|2,0,0]=2 89 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,0,0,0,0,0|1,0,0]=1 90 B7R1.2 CC1COC(=S)N1 MCULE-4793665300 [0,0,0,0,0,0|2,1,0]=3 91 B7R1.2 CC1COC(O1)C MCULE-5670718739 [0,0,0,0,0,0|2,0,1]=3 92 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [0,0,0,0,0,0|2,0,0]=2 93 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [0,0,0,0,0,0|1,1,0]=2 94 B7R1.2 CC1CSC(=S)N1 MCULE-9334196132 [0,0,0,0,0,0|2,1,0]=3 95 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [0,0,0,0,0,0|2,0,0]=2 96 B7R1.2 CN1C=NC(=O)N1 MCULE-8089843600 [0,0,0,0,0,0|3,0,1]=4 97 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [0,0,0,0,0,0|2,0,0]=2 98 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [0,0,0,0,0,0|2,0,0]=2 99 B7R1.2 CN1CCC(C1)Br MCULE-3493698258 [0,0,0,0,0,0|3,0,1]=4 100 B7R1.2 CN1CCC(C1)Cl MCULE-4289154186 [0,0,0,0,0,0|3,0,1]=4 101 B7R1.2 CN1CCC(C1)I MCULE-7694112270 [0,0,0,0,0,0|3,0,1]=4 102 B7R1.2 CN1CCC(C1)N MCULE-1293214424 [0,0,0,0,0,0|3,0,1]=4 103 B7R1.2 CN1CCC(C1)N MCULE-1923071969 [0,0,0,0,0,0|3,0,1]=4 104 B7R1.2 CN1CCC(C1)N MCULE-8906644208 [0,0,0,0,0,0|3,0,1]=4 105 B7R1.2 CN1CCC(C1)O MCULE-7899934177 [0,0,0,0,0,0|2,0,2]=4 106 B7R1.2 CN1CC[C@@H](C1)Br MCULE-3557435415 [0,0,0,0,0,0|3,0,1]=4 107 B7R1.2 CN1CC[C@@H](C1)Cl MCULE-2590203116 [0,0,0,0,0,0|3,0,1]=4 108 B7R1.2 CN1CC[C@@H](C1)I MCULE-9659903055 [0,0,0,0,0,0|3,0,1]=4 109 B7R1.2 CN1CC[C@@H](C1)N MCULE-2789588017 [0,0,0,0,0,0|3,0,1]=4 110 B7R1.2 CN1CC[C@@H](C1)N MCULE-3064746432 [0,0,0,0,0,0|3,0,1]=4 111 B7R1.2 CN1CC[C@@H](C1)N MCULE-3417580502 [0,0,0,0,0,0|3,0,1]=4 112 B7R1.2 CN1CC[C@@H](C1)N MCULE-4507441839 [0,0,0,0,0,0|3,0,1]=4 113 B7R1.2 CN1CC[C@@H](C1)N MCULE-7304925156 [0,0,0,0,0,0|3,0,1]=4 114 B7R1.2 CN1CC[C@@H](C1)N MCULE-8752975101 [0,0,0,0,0,0|3,0,1]=4 115 B7R1.2 CN1CC[C@@H](C1)O MCULE-1236945758 [0,0,0,0,0,0|2,0,2]=4 116 B7R1.2 CN1CC[C@@H](C1)O MCULE-4275527304 [0,0,0,0,0,0|2,0,2]=4 117 B7R1.2 CN1CC[C@H](C1)Br MCULE-5126641770 [0,0,0,0,0,0|3,0,1]=4 118 B7R1.2 CN1CC[C@H](C1)Cl MCULE-6900681925 [0,0,0,0,0,0|3,0,1]=4 119 B7R1.2 CN1CC[C@H](C1)I MCULE-5536628497 [0,0,0,0,0,0|3,0,1]=4 120 B7R1.2 CN1CC[C@H](C1)N MCULE-1557911450 [0,0,0,0,0,0|3,0,1]=4 121 B7R1.2 CN1CC[C@H](C1)N MCULE-2070741351 [0,0,0,0,0,0|3,0,1]=4 122 B7R1.2 CN1CC[C@H](C1)N MCULE-4287469497 [0,0,0,0,0,0|3,0,1]=4 123 B7R1.2 CN1CC[C@H](C1)N MCULE-6191225667 [0,0,0,0,0,0|3,0,1]=4 124 B7R1.2 CN1CC[C@H](C1)N MCULE-7699833473 [0,0,0,0,0,0|3,0,1]=4 125 B7R1.2 CN1CC[C@H](C1)N MCULE-8419212613 [0,0,0,0,0,0|3,0,1]=4 126 B7R1.2 CN1CC[C@H](C1)O MCULE-6665002754 [0,0,0,0,0,0|2,0,2]=4 127 B7R1.2 CN1CC[C@H](C1)O MCULE-8080661086 [0,0,0,0,0,0|2,0,2]=4 128 B7R1.2 CN1N=CC(=O)N1 MCULE-1498333804 [0,0,0,0,0,0|3,0,1]=4 129 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,0,0,0,0,0|2,0,0]=2 130 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,0,0,0,0,0|2,0,0]=2 131 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,0,0,0,0,0|1,0,0]=1 132 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,0,0,0,0,0|1,0,0]=1 133 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,0,0,0,0,0|0,0,0]=0 134 B7R1.2 C[C@@H]1CC[C@@H](C1)N MCULE-9471729241 [0,0,0,0,0,0|2,0,1]=3 135 B7R1.2 C[C@@H]1CC[C@H](C1)N MCULE-5368765184 [0,0,0,0,0,0|2,0,1]=3 136 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-1673197449 [0,0,0,0,0,0|2,0,1]=3 137 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-2729648845 [0,0,0,0,0,0|2,0,1]=3 138 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-4960548681 [0,0,0,0,0,0|2,0,1]=3 139 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-9686295802 [0,0,0,0,0,0|2,0,1]=3 140 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,0,0,0,0,0|2,0,0]=2 141 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,0,0,0,0,0|2,0,0]=2 142 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,0,0,0,0,0|1,0,0]=1 143 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,0,0,0,0,0|1,0,0]=1 144 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,0,0,0,0,0|2,0,0]=2 145 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,0,0,0,0,0|2,0,0]=2 146 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,0,0,0,0,0|2,0,0]=2 147 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,0,0,0,0,0|2,0,0]=2 148 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,0,0,0,0,0|1,0,0]=1 149 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,0,0,0,0,0|1,0,0]=1 150 B7R1.2 C[C@@H]1C[C@@H](CN1)F MCULE-1790804170 [0,0,0,0,0,0|3,0,1]=4 151 B7R1.2 C[C@@H]1C[C@@H](CN1)F MCULE-2224321786 [0,0,0,0,0,0|3,0,1]=4 152 B7R1.2 C[C@@H]1C[C@@H](CN1)F MCULE-6164070045 [0,0,0,0,0,0|3,0,1]=4 153 B7R1.2 C[C@@H]1C[C@@H](CN1)F MCULE-6870592338 [0,0,0,0,0,0|3,0,1]=4 154 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-1211015225 [0,0,0,0,0,0|2,0,2]=4 155 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8025231795 [0,0,0,0,0,0|2,0,2]=4 156 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8074184383 [0,0,0,0,0,0|2,0,2]=4 157 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8403784233 [0,0,0,0,0,0|2,0,2]=4 158 B7R1.2 C[C@@H]1C[C@H](CN1)F MCULE-1165785658 [0,0,0,0,0,0|3,0,1]=4 159 B7R1.2 C[C@@H]1C[C@H](CN1)F MCULE-2237025386 [0,0,0,0,0,0|3,0,1]=4 160 B7R1.2 C[C@@H]1C[C@H](CN1)F MCULE-4695463101 [0,0,0,0,0,0|3,0,1]=4 161 B7R1.2 C[C@@H]1C[C@H](CN1)F MCULE-9859386988 [0,0,0,0,0,0|3,0,1]=4 162 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-4359200896 [0,0,0,0,0,0|2,0,2]=4 163 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-5029850022 [0,0,0,0,0,0|2,0,2]=4 164 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8880723450 [0,0,0,0,0,0|2,0,2]=4 165 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8966000465 [0,0,0,0,0,0|2,0,2]=4 166 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,0,0,0,0,0|2,0,0]=2 167 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,0,0,0,0,0|2,0,0]=2 168 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,0,0,0,0,0|2,0,0]=2 169 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,0,0,0,0,0|2,0,0]=2 170 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [0,0,0,0,0,0|1,0,0]=1 171 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,0,0,0,0,0|1,0,0]=1 172 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,0,0,0,0,0|1,0,0]=1 173 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,0,0,0,0,0|0,0,0]=0 174 B7R1.2 C[C@H]1CC[C@@H](C1)N MCULE-1080493056 [0,0,0,0,0,0|2,0,1]=3 175 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-4583560293 [0,0,0,0,0,0|2,0,1]=3 176 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8297612622 [0,0,0,0,0,0|2,0,1]=3 177 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8699883146 [0,0,0,0,0,0|2,0,1]=3 178 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8917914682 [0,0,0,0,0,0|2,0,1]=3 179 B7R1.2 C[C@H]1CC[C@H](C1)C MCULE-8059507758 [0,0,0,0,0,0|2,0,1]=3 180 B7R1.2 C[C@H]1CC[C@H](C1)N MCULE-7070775136 [0,0,0,0,0,0|2,0,1]=3 181 B7R1.2 C[C@H]1CC[C@H](N1)C MCULE-1935235769 [0,0,0,0,0,0|2,0,1]=3 182 B7R1.2 C[C@H]1CC[C@H](N1)C MCULE-9833374653 [0,0,0,0,0,0|2,0,1]=3 183 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,0,0,0,0,0|2,0,0]=2 184 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,0,0,0,0,0|2,0,0]=2 185 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,0,0,0,0,0|2,0,0]=2 186 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,0,0,0,0,0|2,0,0]=2 187 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,0,0,0,0,0|2,0,0]=2 188 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,0,0,0,0,0|1,0,0]=1 189 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,0,0,0,0,0|1,0,0]=1 190 B7R1.2 C[C@H]1CSC(=S)N1 MCULE-6690407523 [0,0,0,0,0,0|2,1,0]=3 191 B7R1.2 C[C@H]1C[C@@H](CN1)F MCULE-1742492020 [0,0,0,0,0,0|3,0,1]=4 192 B7R1.2 C[C@H]1C[C@@H](CN1)F MCULE-4690497151 [0,0,0,0,0,0|3,0,1]=4 193 B7R1.2 C[C@H]1C[C@@H](CN1)F MCULE-7372620241 [0,0,0,0,0,0|3,0,1]=4 194 B7R1.2 C[C@H]1C[C@@H](CN1)F MCULE-8319027426 [0,0,0,0,0,0|3,0,1]=4 195 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-1346257695 [0,0,0,0,0,0|2,0,2]=4 196 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-3035291598 [0,0,0,0,0,0|2,0,2]=4 197 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-8611352921 [0,0,0,0,0,0|2,0,2]=4 198 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-9413190353 [0,0,0,0,0,0|2,0,2]=4 199 B7R1.2 C[C@H]1C[C@H](CN1)F MCULE-1099206732 [0,0,0,0,0,0|3,0,1]=4 200 B7R1.2 C[C@H]1C[C@H](CN1)F MCULE-8257992498 [0,0,0,0,0,0|3,0,1]=4 201 B7R1.2 C[C@H]1C[C@H](CN1)F MCULE-8335445065 [0,0,0,0,0,0|3,0,1]=4 202 B7R1.2 C[C@H]1C[C@H](CN1)F MCULE-9395416229 [0,0,0,0,0,0|3,0,1]=4 203 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-3188785695 [0,0,0,0,0,0|2,0,2]=4 204 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-4518572489 [0,0,0,0,0,0|2,0,2]=4 205 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-5322353871 [0,0,0,0,0,0|2,0,2]=4 206 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-9693826142 [0,0,0,0,0,0|2,0,2]=4 207 B7R1.2 N=C1CSC(=O)N1 MCULE-9647262906 [0,0,0,0,0,0|3,0,1]=4 208 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,0,0,0,0,0|2,0,1]=3 209 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [0,0,0,0,0,0|3,0,1]=4 210 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,0,0,0,0,0|3,0,1]=4 211 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [0,0,0,0,0,0|3,0,1]=4 212 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [0,0,0,0,0,0|3,0,1]=4 213 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [0,0,0,0,0,0|3,0,1]=4 214 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [0,0,0,0,0,0|3,0,1]=4 215 B7R1.2 NC1=NCC(=O)S1 MCULE-1885235061 [0,0,0,0,0,0|2,1,1]=4 216 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,0,0,0,0,0|2,0,0]=2 217 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,0,0,0,0,0|2,0,0]=2 218 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,0,0,0,0,0|2,0,0]=2 219 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,0,0,0,0,0|2,0,0]=2 220 B7R1.2 NC1CCC(C1)F MCULE-1052463910 [0,0,0,0,0,0|3,0,1]=4 221 B7R1.2 NC1CCC(C1)F MCULE-1362820422 [0,0,0,0,0,0|3,0,1]=4 222 B7R1.2 NC1CCC(C1)N MCULE-7855552124 [0,0,0,0,0,0|3,0,1]=4 223 B7R1.2 NC1CCC(C1)N MCULE-9706705284 [0,0,0,0,0,0|3,0,1]=4 224 B7R1.2 NC1CCC(C1)O MCULE-5821071286 [0,0,0,0,0,0|2,0,2]=4 225 B7R1.2 NC1CCC(C1)O MCULE-9391783901 [0,0,0,0,0,0|2,0,2]=4 226 B7R1.2 NC1CCS(=O)C1 MCULE-7416029311 [0,0,0,0,0,0|3,0,0]=3 227 B7R1.2 NC1CCS(=O)C1 MCULE-8914660363 [0,0,0,0,0,0|3,0,0]=3 228 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,0,0,0,0,0|3,0,0]=3 229 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,0,0,0,0,0|3,0,0]=3 230 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,0,0,0,0,0|3,0,0]=3 231 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,0,0,0,0,0|3,0,0]=3 232 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,0,0,0,0,0|3,0,0]=3 233 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,0,0,0,0,0|3,0,0]=3 234 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,0,0,0,0,0|3,0,0]=3 235 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,0,0,0,0,0|3,0,0]=3 236 B7R1.2 NC1N=CC(=O)S1 MCULE-9874802810 [0,0,0,0,0,0|2,1,1]=4 237 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [0,0,0,0,0,0|3,0,0]=3 238 B7R1.2 N[C@@H]1CC[C@@H](C1)F MCULE-1039943323 [0,0,0,0,0,0|3,0,1]=4 239 B7R1.2 N[C@@H]1CC[C@@H](C1)F MCULE-3861238775 [0,0,0,0,0,0|3,0,1]=4 240 B7R1.2 N[C@@H]1CC[C@@H](C1)F MCULE-4709681384 [0,0,0,0,0,0|3,0,1]=4 241 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-2973461190 [0,0,0,0,0,0|2,0,2]=4 242 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-5462229704 [0,0,0,0,0,0|2,0,2]=4 243 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-6746606174 [0,0,0,0,0,0|2,0,2]=4 244 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7196403409 [0,0,0,0,0,0|2,0,2]=4 245 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7511735313 [0,0,0,0,0,0|2,0,2]=4 246 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-9023897758 [0,0,0,0,0,0|2,0,2]=4 247 B7R1.2 N[C@@H]1CC[C@H](C1)F MCULE-1973308112 [0,0,0,0,0,0|3,0,1]=4 248 B7R1.2 N[C@@H]1CC[C@H](C1)F MCULE-2885294836 [0,0,0,0,0,0|3,0,1]=4 249 B7R1.2 N[C@@H]1CC[C@H](C1)F MCULE-3217124168 [0,0,0,0,0,0|3,0,1]=4 250 B7R1.2 N[C@@H]1CC[C@H](C1)F MCULE-3983968357 [0,0,0,0,0,0|3,0,1]=4 251 B7R1.2 N[C@@H]1CC[C@H](C1)N MCULE-2953432986 [0,0,0,0,0,0|3,0,1]=4 252 B7R1.2 N[C@@H]1CC[C@H](C1)N MCULE-5679004800 [0,0,0,0,0,0|3,0,1]=4 253 B7R1.2 N[C@@H]1CC[C@H](C1)N MCULE-7275989455 [0,0,0,0,0,0|3,0,1]=4 254 B7R1.2 N[C@@H]1CC[C@H](C1)N MCULE-9713633356 [0,0,0,0,0,0|3,0,1]=4 255 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-3286276562 [0,0,0,0,0,0|2,0,2]=4 256 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-5345953109 [0,0,0,0,0,0|2,0,2]=4 257 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-6442703385 [0,0,0,0,0,0|2,0,2]=4 258 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-7457197538 [0,0,0,0,0,0|2,0,2]=4 259 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,0,0,0,0,0|3,0,0]=3 260 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,0,0,0,0,0|3,0,0]=3 261 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,0,0,0,0,0|3,0,0]=3 262 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,0,0,0,0,0|3,0,0]=3 263 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,0,0,0,0,0|3,0,0]=3 264 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,0,0,0,0,0|3,0,0]=3 265 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,0,0,0,0,0|3,0,0]=3 266 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,0,0,0,0,0|3,0,0]=3 267 B7R1.2 N[C@H]1CC[C@@H](C1)F MCULE-7847317272 [0,0,0,0,0,0|3,0,1]=4 268 B7R1.2 N[C@H]1CC[C@@H](C1)F MCULE-8833201415 [0,0,0,0,0,0|3,0,1]=4 269 B7R1.2 N[C@H]1CC[C@@H](C1)N MCULE-3035711729 [0,0,0,0,0,0|3,0,1]=4 270 B7R1.2 N[C@H]1CC[C@@H](C1)N MCULE-6912512686 [0,0,0,0,0,0|3,0,1]=4 271 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-2764158583 [0,0,0,0,0,0|2,0,2]=4 272 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-5047569623 [0,0,0,0,0,0|2,0,2]=4 273 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-7674066148 [0,0,0,0,0,0|2,0,2]=4 274 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-8478778872 [0,0,0,0,0,0|2,0,2]=4 275 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-1792150017 [0,0,0,0,0,0|3,0,1]=4 276 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-4563758183 [0,0,0,0,0,0|3,0,1]=4 277 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-4785441600 [0,0,0,0,0,0|3,0,1]=4 278 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-5413630050 [0,0,0,0,0,0|3,0,1]=4 279 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-7223746698 [0,0,0,0,0,0|3,0,1]=4 280 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-9000616089 [0,0,0,0,0,0|3,0,1]=4 281 B7R1.2 N[C@H]1CC[C@H](C1)N MCULE-3378648870 [0,0,0,0,0,0|3,0,1]=4 282 B7R1.2 N[C@H]1CC[C@H](C1)N MCULE-7356571170 [0,0,0,0,0,0|3,0,1]=4 283 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-3786824722 [0,0,0,0,0,0|2,0,2]=4 284 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-4140170961 [0,0,0,0,0,0|2,0,2]=4 285 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5760466174 [0,0,0,0,0,0|2,0,2]=4 286 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5995468864 [0,0,0,0,0,0|2,0,2]=4 287 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-6230469368 [0,0,0,0,0,0|2,0,2]=4 288 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-9622062244 [0,0,0,0,0,0|2,0,2]=4 289 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,0,0,0,0,0|3,0,0]=3 290 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,0,0,0,0,0|3,0,0]=3 291 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,0,0,0,0,0|3,0,0]=3 292 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,0,0,0,0,0|3,0,0]=3 293 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,0,0,0,0,0|3,0,0]=3 294 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,0,0,0,0,0|3,0,0]=3 295 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,0,0,0,0,0|3,0,0]=3 296 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,0,0,0,0,0|3,0,0]=3 297 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,0,0,0,0,0|3,0,0]=3 298 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,0,0,0,0,0|3,0,0]=3 299 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [0,0,0,0,0,0|2,0,1]=3 300 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [0,0,0,0,0,0|2,0,1]=3 301 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [0,0,0,0,0,0|2,0,1]=3 302 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,0,0,0,0,0|2,0,1]=3 303 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [0,0,0,0,0,0|3,0,1]=4 304 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,0,0,0,0,0|3,0,1]=4 305 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,0,0,0,0,0|3,0,1]=4 306 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,0,0,0,0,0|3,0,1]=4 307 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [0,0,0,0,0,0|1,0,3]=4 308 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [0,0,0,0,0,0|2,0,2]=4 309 B7R1.2 O=C1C=CC(O1)Br MCULE-3933464968 [0,0,0,0,0,0|1,0,2]=3 310 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [0,0,0,0,0,0|1,0,2]=3 311 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [0,0,0,0,0,0|2,0,2]=4 312 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [0,0,0,0,0,0|2,0,2]=4 313 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,0,0,0,0,0|3,0,0]=3 314 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,0,0,0,0,0|3,0,0]=3 315 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,0,0,0,0,0|3,0,0]=3 316 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,0,0,0,0,0|3,0,0]=3 317 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,0,0,0,0,0|2,0,1]=3 318 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,0,0,0,0,0|2,0,1]=3 319 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,0,0,0,0,0|1,0,1]=2 320 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [0,0,0,0,0,0|2,0,0]=2 321 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [0,0,0,0,0,0|2,0,0]=2 322 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,0,0,0,0,0|2,0,0]=2 323 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,0,0,0,0,0|2,0,0]=2 324 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,0,0,0,0,0|1,0,0]=1 325 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,0,0,0,0,0|1,0,0]=1 326 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,0,0,0,0,0|3,0,1]=4 327 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [0,0,0,0,0,0|3,0,1]=4 328 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,0,0,0,0,0|2,0,1]=3 329 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [0,0,0,0,0,0|2,1,1]=4 330 B7R1.2 O=C1CNC(=S)N1 MCULE-3766479597 [0,0,0,0,0,0|3,0,1]=4 331 B7R1.2 O=C1CNC(=S)S1 MCULE-4359186239 [0,0,0,0,0,0|2,1,1]=4 332 B7R1.2 O=C1CNC(S1)S MCULE-9237115672 [0,0,0,0,0,0|2,1,0]=3 333 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,0,0,0,0,0|3,0,1]=4 334 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,0,0,0,0,0|3,0,1]=4 335 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,0,0,0,0,0|3,0,1]=4 336 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [0,0,0,0,0,0|3,0,1]=4 337 B7R1.2 O=C1CSC(=S)N1 MCULE-8840169234 [0,0,0,0,0,0|3,0,1]=4 338 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,0,0,0,0,0|3,0,0]=3 339 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,0,0,0,0,0|3,0,0]=3 340 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,0,0,0,0,0|3,0,0]=3 341 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,0,0,0,0,0|3,0,0]=3 342 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,0,0,0,0,0|3,0,0]=3 343 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,0,0,0,0,0|3,0,0]=3 344 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,0,0,0,0,0|3,0,0]=3 345 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,0,0,0,0,0|3,0,0]=3 346 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,0,0,0,0,0|3,0,0]=3 347 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,0,0,0,0,0|3,0,0]=3 348 B7R1.2 O=C1NC(=S)CS1 MCULE-8601205978 [0,0,0,0,0,0|3,0,1]=4 349 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [0,0,0,0,0,0|3,0,1]=4 350 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,0,0,0,0,0|2,0,0]=2 351 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,0,0,0,0,0|2,0,0]=2 352 B7R1.2 OC1CCC(C1)O MCULE-2799846813 [0,0,0,0,0,0|2,0,2]=4 353 B7R1.2 OC1CCC(O1)O MCULE-8012370358 [0,0,0,0,0,0|1,0,2]=3 354 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-4481324218 [0,0,0,0,0,0|2,0,2]=4 355 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-6560672131 [0,0,0,0,0,0|2,0,2]=4 356 B7R1.2 O[C@H]1CC[C@H](C1)O MCULE-4640874873 [0,0,0,0,0,0|2,0,2]=4 357 B7R1.2 S=C1CCC(=S)N1 MCULE-1793012495 [0,0,0,0,0,0|2,1,1]=4 358 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-3137346382 [0,0,0,0,0,0|2,0,2]=4 359 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-9954737796 [0,0,0,0,0,0|2,0,2]=4 360 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [0,0,0,0,0,0|1,0,0]=1 361 B7R1.2 [C@H]1(CC[C@H](C1)O)O MCULE-4834858159 [0,0,0,0,0,0|2,0,2]=4 362 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-1916837136 [0,0,0,0,0,0|2,0,2]=4 363 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-8263093896 [0,0,0,0,0,0|2,0,2]=4 364 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9065610836 [0,0,0,0,0,0|2,0,2]=4 365 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9910248291 [0,0,0,0,0,0|2,0,2]=4 366 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [1,0,0,0,0,0|2,0,0]=3 367 B6R1.2 BrC1=COCC1 MCULE-8057569313 [1,0,0,0,0,0|3,0,0]=4 368 B6R1.2 BrC1CC=CC1 MCULE-8834603275 [1,0,0,0,0,0|2,0,1]=4 369 B6R1.2 BrC1CCCC1 MCULE-9383923023 [1,0,0,0,0,0|2,0,1]=4 370 B6R1.2 BrC1CCNC1 MCULE-4841543716 [1,0,0,0,0,0|3,0,0]=4 371 B6R1.2 BrC1CCNC1 MCULE-4954951045 [1,0,0,0,0,0|3,0,0]=4 372 B6R1.2 BrC1CCNC1 MCULE-7176123276 [1,0,0,0,0,0|3,0,0]=4 373 B6R1.2 BrC1CCOC1 MCULE-7037144528 [1,0,0,0,0,0|3,0,0]=4 374 B6R1.2 BrC1CCSC1 MCULE-6663716947 [1,0,0,0,0,0|3,0,0]=4 375 B6R1.2 Br[C@@H]1CCNC1 MCULE-1681494552 [1,0,0,0,0,0|3,0,0]=4 376 B6R1.2 Br[C@@H]1CCNC1 MCULE-1764777534 [1,0,0,0,0,0|3,0,0]=4 377 B6R1.2 Br[C@@H]1CCNC1 MCULE-2455801012 [1,0,0,0,0,0|3,0,0]=4 378 B6R1.2 Br[C@@H]1CCNC1 MCULE-8945784733 [1,0,0,0,0,0|3,0,0]=4 379 B6R1.2 Br[C@H]1CCNC1 MCULE-5014033994 [1,0,0,0,0,0|3,0,0]=4 380 B6R1.2 Br[C@H]1CCNC1 MCULE-5217617272 [1,0,0,0,0,0|3,0,0]=4 381 B6R1.2 Br[C@H]1CCNC1 MCULE-8899453530 [1,0,0,0,0,0|3,0,0]=4 382 B6R1.2 Br[C@H]1CCNC1 MCULE-9461718131 [1,0,0,0,0,0|3,0,0]=4 383 B6R1.2 Br[C@H]1CCOC1 MCULE-7554969036 [1,0,0,0,0,0|3,0,0]=4 384 B6R1.2 C1(CCNC1)C MCULE-2542646403 [1,0,0,0,0,0|2,0,0]=3 385 B6R1.2 C1(CCNC1)C MCULE-4538835016 [1,0,0,0,0,0|2,0,0]=3 386 B6R1.2 C1(CCNC1)F MCULE-2259566125 [1,0,0,0,0,0|3,0,0]=4 387 B6R1.2 C1(CCNC1)F MCULE-3325393466 [1,0,0,0,0,0|3,0,0]=4 388 B6R1.2 C1(CCNC1)O MCULE-2676539647 [1,0,0,0,0,0|3,0,0]=4 389 B6R1.2 C1(CCNC1)O MCULE-4228466615 [1,0,0,0,0,0|3,0,0]=4 390 B6R1.2 C1(CCOC1)I MCULE-4877322062 [1,0,0,0,0,0|3,0,0]=4 391 B6R1.2 C1(CCOC1)N MCULE-2221007915 [1,0,0,0,0,0|3,0,0]=4 392 B6R1.2 C1(CCOC1)N MCULE-3972931474 [1,0,0,0,0,0|3,0,0]=4 393 B6R1.2 C1(CCOC1)O MCULE-3631749536 [1,0,0,0,0,0|3,0,0]=4 394 B6R1.2 C=C1CCCC1 MCULE-4115373196 [1,0,0,0,0,0|2,0,0]=3 395 B6R1.2 C=C1CCNC1 MCULE-7982953073 [1,0,0,0,0,0|3,0,0]=4 396 B6R1.2 C=C1CCNC1 MCULE-8428731599 [1,0,0,0,0,0|3,0,0]=4 397 B6R1.2 C=C1CCSC1 MCULE-7042571473 [1,0,0,0,0,0|3,0,0]=4 398 B6R1.2 CC1=CC=CC1 MCULE-3765599626 [1,0,0,0,0,0|1,0,2]=4 399 B6R1.2 CC1=CC=CO1 MCULE-3620289319 [1,0,0,0,0,0|0,0,3]=4 400 B6R1.2 CC1=CCCC1 MCULE-8508688474 [1,0,0,0,0,0|2,0,0]=3 401 B6R1.2 CC1=CCCO1 MCULE-7276659214 [1,0,0,0,0,0|1,0,1]=3 402 B6R1.2 CC1=CCNC1 MCULE-5892113847 [1,0,0,0,0,0|3,0,0]=4 403 B6R1.2 CC1=CCNC1 MCULE-9225220351 [1,0,0,0,0,0|3,0,0]=4 404 B6R1.2 CC1=CN=CO1 MCULE-4609626879 [1,0,0,0,0,0|1,0,2]=4 405 B6R1.2 CC1=NC=CO1 MCULE-7894525701 [1,0,0,0,0,0|1,0,2]=4 406 B6R1.2 CC1=NCCC1 MCULE-5009170423 [1,0,0,0,0,0|2,0,0]=3 407 B6R1.2 CC1=NCCN1 MCULE-4787238872 [1,0,0,0,0,0|3,0,0]=4 408 B6R1.2 CC1=NCCO1 MCULE-8564633040 [1,0,0,0,0,0|2,0,0]=3 409 B6R1.2 CC1=NCCS1 MCULE-1701303405 [1,0,0,0,0,0|2,1,0]=4 410 B6R1.2 CC1=NN=CO1 MCULE-5138394000 [1,0,0,0,0,0|2,0,1]=4 411 B6R1.2 CC1=NNCC1 MCULE-1758510182 [1,0,0,0,0,0|2,0,1]=4 412 B6R1.2 CC1C=CCC1 MCULE-1638534048 [1,0,0,0,0,0|1,0,0]=2 413 B6R1.2 CC1CCCC1 MCULE-4702116068 [1,0,0,0,0,0|1,0,1]=3 414 B6R1.2 CC1CCCN1 MCULE-4853624560 [1,0,0,0,0,0|1,0,1]=3 415 B6R1.2 CC1CCCN1 MCULE-5939948024 [1,0,0,0,0,0|1,0,1]=3 416 B6R1.2 CC1CCCN1 MCULE-6020011445 [1,0,0,0,0,0|1,0,1]=3 417 B6R1.2 CC1CCCN1 MCULE-7855346849 [1,0,0,0,0,0|1,0,1]=3 418 B6R1.2 CC1CCCO1 MCULE-2526138687 [1,0,0,0,0,0|0,0,1]=2 419 B6R1.2 CC1CCCS1 MCULE-8372499972 [1,0,0,0,0,0|0,1,1]=3 420 B6R1.2 CC1CCNC1 MCULE-6494098173 [1,0,0,0,0,0|2,0,0]=3 421 B6R1.2 CC1CCNC1 MCULE-8260364514 [1,0,0,0,0,0|2,0,0]=3 422 B6R1.2 CC1CCOC1 MCULE-6424683416 [1,0,0,0,0,0|2,0,0]=3 423 B6R1.2 CC1CCSC1 MCULE-7445511318 [1,0,0,0,0,0|2,0,0]=3 424 B6R1.2 CC1CNOC1 MCULE-1071803164 [1,0,0,0,0,0|3,0,0]=4 425 B6R1.2 CC1CNOC1 MCULE-9455391174 [1,0,0,0,0,0|3,0,0]=4 426 B6R1.2 CC1COCO1 MCULE-9332316279 [1,0,0,0,0,0|1,0,1]=3 427 B6R1.2 CC1NCCS1 MCULE-8457840375 [1,0,0,0,0,0|1,1,1]=4 428 B6R1.2 CC1OCCO1 MCULE-2943809591 [1,0,0,0,0,0|1,0,1]=3 429 B6R1.2 CC1SCCS1 MCULE-5011453273 [1,0,0,0,0,0|1,1,1]=4 430 B6R1.2 CN1CC=CC1 MCULE-2586884916 [1,0,0,0,0,0|2,0,1]=4 431 B6R1.2 CN1CCCC1 MCULE-5387702231 [1,0,0,0,0,0|2,0,1]=4 432 B6R1.2 CN1CCNC1 MCULE-8059197564 [1,0,0,0,0,0|3,0,0]=4 433 B6R1.2 CN1CCNC1 MCULE-9818601515 [1,0,0,0,0,0|3,0,0]=4 434 B6R1.2 CN1CCOC1 MCULE-5504672404 [1,0,0,0,0,0|3,0,0]=4 435 B6R1.2 C[C@@H]1CCCN1 MCULE-1038329474 [1,0,0,0,0,0|1,0,1]=3 436 B6R1.2 C[C@@H]1CCCN1 MCULE-1829999308 [1,0,0,0,0,0|1,0,1]=3 437 B6R1.2 C[C@@H]1CCCN1 MCULE-8644278041 [1,0,0,0,0,0|1,0,1]=3 438 B6R1.2 C[C@@H]1CCCN1 MCULE-9243990647 [1,0,0,0,0,0|1,0,1]=3 439 B6R1.2 C[C@@H]1CCNC1 MCULE-5345577321 [1,0,0,0,0,0|2,0,0]=3 440 B6R1.2 C[C@@H]1CCNC1 MCULE-5749945455 [1,0,0,0,0,0|2,0,0]=3 441 B6R1.2 C[C@@H]1CCNC1 MCULE-8967606188 [1,0,0,0,0,0|2,0,0]=3 442 B6R1.2 C[C@@H]1CCNC1 MCULE-8996756392 [1,0,0,0,0,0|2,0,0]=3 443 B6R1.2 C[C@H]1CCCN1 MCULE-2078024663 [1,0,0,0,0,0|1,0,1]=3 444 B6R1.2 C[C@H]1CCCN1 MCULE-3113877345 [1,0,0,0,0,0|1,0,1]=3 445 B6R1.2 C[C@H]1CCCN1 MCULE-3426869473 [1,0,0,0,0,0|1,0,1]=3 446 B6R1.2 C[C@H]1CCCN1 MCULE-5093266679 [1,0,0,0,0,0|1,0,1]=3 447 B6R1.2 C[C@H]1CCNC1 MCULE-1866792897 [1,0,0,0,0,0|2,0,0]=3 448 B6R1.2 C[C@H]1CCNC1 MCULE-3817248567 [1,0,0,0,0,0|2,0,0]=3 449 B6R1.2 C[C@H]1CCNC1 MCULE-7938243226 [1,0,0,0,0,0|2,0,0]=3 450 B6R1.2 C[C@H]1CCNC1 MCULE-8895875203 [1,0,0,0,0,0|2,0,0]=3 451 B6R1.2 C[S+]1CCCC1 MCULE-6294888335 [1,0,0,0,0,0|2,0,1]=4 452 B6R1.2 C[S+]1CCCC1 MCULE-8432227262 [1,0,0,0,0,0|2,0,1]=4 453 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [1,0,0,0,0,0|2,0,0]=3 454 B6R1.2 ClC1=NCCN1 MCULE-2043711677 [1,0,0,0,0,0|3,0,0]=4 455 B6R1.2 ClC1=NCCN1 MCULE-2296476673 [1,0,0,0,0,0|3,0,0]=4 456 B6R1.2 ClC1CCCC1 MCULE-3285928655 [1,0,0,0,0,0|2,0,1]=4 457 B6R1.2 ClC1CCNC1 MCULE-5659561118 [1,0,0,0,0,0|3,0,0]=4 458 B6R1.2 ClC1CCNC1 MCULE-6180477494 [1,0,0,0,0,0|3,0,0]=4 459 B6R1.2 ClC1CCNC1 MCULE-6964859207 [1,0,0,0,0,0|3,0,0]=4 460 B6R1.2 ClC1CCNC1 MCULE-8389509440 [1,0,0,0,0,0|3,0,0]=4 461 B6R1.2 ClC1CCOC1 MCULE-6903762147 [1,0,0,0,0,0|3,0,0]=4 462 B6R1.2 ClP1OCCO1 MCULE-2550894251 [1,0,0,0,0,0|3,0,0]=4 463 B6R1.2 Cl[C@@H]1CCNC1 MCULE-3218152098 [1,0,0,0,0,0|3,0,0]=4 464 B6R1.2 Cl[C@@H]1CCNC1 MCULE-6728755007 [1,0,0,0,0,0|3,0,0]=4 465 B6R1.2 Cl[C@@H]1CCNC1 MCULE-7223308304 [1,0,0,0,0,0|3,0,0]=4 466 B6R1.2 Cl[C@@H]1CCNC1 MCULE-9699335522 [1,0,0,0,0,0|3,0,0]=4 467 B6R1.2 Cl[C@H]1CCNC1 MCULE-1696981588 [1,0,0,0,0,0|3,0,0]=4 468 B6R1.2 Cl[C@H]1CCNC1 MCULE-4535592624 [1,0,0,0,0,0|3,0,0]=4 469 B6R1.2 Cl[C@H]1CCNC1 MCULE-4850151938 [1,0,0,0,0,0|3,0,0]=4 470 B6R1.2 Cl[C@H]1CCNC1 MCULE-8947782807 [1,0,0,0,0,0|3,0,0]=4 471 B6R1.2 FC1CCCC1 MCULE-1416016970 [1,0,0,0,0,0|2,0,1]=4 472 B6R1.2 FC1CCNC1 MCULE-3601135445 [1,0,0,0,0,0|3,0,0]=4 473 B6R1.2 FC1CCNC1 MCULE-8578750940 [1,0,0,0,0,0|3,0,0]=4 474 B6R1.2 F[C@@H]1CCNC1 MCULE-4408739710 [1,0,0,0,0,0|3,0,0]=4 475 B6R1.2 F[C@@H]1CCNC1 MCULE-5678498844 [1,0,0,0,0,0|3,0,0]=4 476 B6R1.2 F[C@@H]1CCNC1 MCULE-5679054116 [1,0,0,0,0,0|3,0,0]=4 477 B6R1.2 F[C@@H]1CCNC1 MCULE-7029204180 [1,0,0,0,0,0|3,0,0]=4 478 B6R1.2 F[C@H]1CCCN1 MCULE-8612757365 [1,0,0,0,0,0|2,0,1]=4 479 B6R1.2 F[C@H]1CCNC1 MCULE-2854402872 [1,0,0,0,0,0|3,0,0]=4 480 B6R1.2 F[C@H]1CCNC1 MCULE-4493640982 [1,0,0,0,0,0|3,0,0]=4 481 B6R1.2 F[C@H]1CCNC1 MCULE-7441383471 [1,0,0,0,0,0|3,0,0]=4 482 B6R1.2 F[C@H]1CCNC1 MCULE-7946601643 [1,0,0,0,0,0|3,0,0]=4 483 B6R1.2 IC1=CCCC1 MCULE-5953451970 [1,0,0,0,0,0|2,0,0]=3 484 B6R1.2 IC1=COCC1 MCULE-3076361502 [1,0,0,0,0,0|3,0,0]=4 485 B6R1.2 IC1CCCC1 MCULE-2705379744 [1,0,0,0,0,0|2,0,1]=4 486 B6R1.2 IC1CCNC1 MCULE-3058541551 [1,0,0,0,0,0|3,0,0]=4 487 B6R1.2 IC1CCNC1 MCULE-5326267139 [1,0,0,0,0,0|3,0,0]=4 488 B6R1.2 IC1CCOC1 MCULE-1379775972 [1,0,0,0,0,0|3,0,0]=4 489 B6R1.2 I[C@@H]1CCNC1 MCULE-3800433724 [1,0,0,0,0,0|3,0,0]=4 490 B6R1.2 I[C@@H]1CCNC1 MCULE-3857825133 [1,0,0,0,0,0|3,0,0]=4 491 B6R1.2 I[C@@H]1CCNC1 MCULE-7781267462 [1,0,0,0,0,0|3,0,0]=4 492 B6R1.2 I[C@@H]1CCNC1 MCULE-7979843810 [1,0,0,0,0,0|3,0,0]=4 493 B6R1.2 I[C@@H]1CCOC1 MCULE-2036157502 [1,0,0,0,0,0|3,0,0]=4 494 B6R1.2 I[C@@H]1CCOC1 MCULE-4800752659 [1,0,0,0,0,0|3,0,0]=4 495 B6R1.2 I[C@H]1CCNC1 MCULE-1218289403 [1,0,0,0,0,0|3,0,0]=4 496 B6R1.2 I[C@H]1CCNC1 MCULE-7469922084 [1,0,0,0,0,0|3,0,0]=4 497 B6R1.2 I[C@H]1CCOC1 MCULE-4242860607 [1,0,0,0,0,0|3,0,0]=4 498 B6R1.2 I[C@H]1CCOC1 MCULE-7095404975 [1,0,0,0,0,0|3,0,0]=4 499 B6R1.2 N=C1CCCS1 MCULE-4228855265 [1,0,0,0,0,0|1,1,0]=3 500 B6R1.2 N=C1CCCS1 MCULE-7496124035 [1,0,0,0,0,0|1,1,0]=3 501 B6R1.2 N=C1NCCN1 MCULE-4983030911 [1,0,0,0,0,0|3,0,0]=4 502 B6R1.2 NC1=NCCC1 MCULE-6089369366 [1,0,0,0,0,0|2,0,0]=3 503 B6R1.2 NC1=NCCC1 MCULE-8979618464 [1,0,0,0,0,0|2,0,0]=3 504 B6R1.2 NC1=NCCN1 MCULE-1788173657 [1,0,0,0,0,0|3,0,0]=4 505 B6R1.2 NC1=NCCN1 MCULE-9804694628 [1,0,0,0,0,0|3,0,0]=4 506 B6R1.2 NC1=NCCO1 MCULE-1257431295 [1,0,0,0,0,0|2,0,0]=3 507 B6R1.2 NC1=NCCO1 MCULE-9912511107 [1,0,0,0,0,0|2,0,0]=3 508 B6R1.2 NC1=NCCS1 MCULE-3397143190 [1,0,0,0,0,0|2,1,0]=4 509 B6R1.2 NC1=NCCS1 MCULE-9466856269 [1,0,0,0,0,0|2,1,0]=4 510 B6R1.2 NC1=NCCS1 MCULE-9984008966 [1,0,0,0,0,0|2,1,0]=4 511 B6R1.2 NC1=NNCC1 MCULE-4665265929 [1,0,0,0,0,0|3,0,0]=4 512 B6R1.2 NC1=NOCC1 MCULE-4971355735 [1,0,0,0,0,0|3,0,0]=4 513 B6R1.2 NC1C=CCC1 MCULE-2537724380 [1,0,0,0,0,0|2,0,0]=3 514 B6R1.2 NC1C=CCC1 MCULE-5017993489 [1,0,0,0,0,0|2,0,0]=3 515 B6R1.2 NC1CC=CC1 MCULE-3815719332 [1,0,0,0,0,0|2,0,1]=4 516 B6R1.2 NC1CC=CC1 MCULE-9984030144 [1,0,0,0,0,0|2,0,1]=4 517 B6R1.2 NC1CCCC1 MCULE-2292038009 [1,0,0,0,0,0|2,0,1]=4 518 B6R1.2 NC1CCNC1 MCULE-2237528072 [1,0,0,0,0,0|3,0,0]=4 519 B6R1.2 NC1CCNC1 MCULE-5167920547 [1,0,0,0,0,0|3,0,0]=4 520 B6R1.2 NC1CCNC1 MCULE-5837785719 [1,0,0,0,0,0|3,0,0]=4 521 B6R1.2 NC1CCOC1 MCULE-1276945018 [1,0,0,0,0,0|3,0,0]=4 522 B6R1.2 NC1CCOC1 MCULE-8146259495 [1,0,0,0,0,0|3,0,0]=4 523 B6R1.2 NC1CCSC1 MCULE-8972229387 [1,0,0,0,0,0|3,0,0]=4 524 B6R1.2 NC1CCSC1 MCULE-9186640582 [1,0,0,0,0,0|3,0,0]=4 525 B6R1.2 NN1CCCC1 MCULE-1562593919 [1,0,0,0,0,0|3,0,0]=4 526 B6R1.2 NN1CCCC1 MCULE-2311855036 [1,0,0,0,0,0|3,0,0]=4 527 B6R1.2 NN1CCCC1 MCULE-5484008222 [1,0,0,0,0,0|3,0,0]=4 528 B6R1.2 N[C@@H]1CCNC1 MCULE-6043697974 [1,0,0,0,0,0|3,0,0]=4 529 B6R1.2 N[C@@H]1CCNC1 MCULE-8912264932 [1,0,0,0,0,0|3,0,0]=4 530 B6R1.2 N[C@@H]1CCNC1 MCULE-9183647019 [1,0,0,0,0,0|3,0,0]=4 531 B6R1.2 N[C@@H]1CCNC1 MCULE-9608760183 [1,0,0,0,0,0|3,0,0]=4 532 B6R1.2 N[C@@H]1CCOC1 MCULE-1100136080 [1,0,0,0,0,0|3,0,0]=4 533 B6R1.2 N[C@@H]1CCOC1 MCULE-4493278911 [1,0,0,0,0,0|3,0,0]=4 534 B6R1.2 N[C@@H]1CCOC1 MCULE-5574536510 [1,0,0,0,0,0|3,0,0]=4 535 B6R1.2 N[C@@H]1CCOC1 MCULE-7204677203 [1,0,0,0,0,0|3,0,0]=4 536 B6R1.2 N[C@H]1CCNC1 MCULE-3573455998 [1,0,0,0,0,0|3,0,0]=4 537 B6R1.2 N[C@H]1CCNC1 MCULE-3988158945 [1,0,0,0,0,0|3,0,0]=4 538 B6R1.2 N[C@H]1CCNC1 MCULE-4526890579 [1,0,0,0,0,0|3,0,0]=4 539 B6R1.2 N[C@H]1CCNC1 MCULE-8548728927 [1,0,0,0,0,0|3,0,0]=4 540 B6R1.2 N[C@H]1CCOC1 MCULE-2273771439 [1,0,0,0,0,0|3,0,0]=4 541 B6R1.2 N[C@H]1CCOC1 MCULE-3567904137 [1,0,0,0,0,0|3,0,0]=4 542 B6R1.2 N[C@H]1CCOC1 MCULE-5268616156 [1,0,0,0,0,0|3,0,0]=4 543 B6R1.2 N[C@H]1CCOC1 MCULE-7351975857 [1,0,0,0,0,0|3,0,0]=4 544 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,0,0,0|1,0,1]=3 545 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [1,0,0,0,0,0|1,0,2]=4 546 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,0,0,0|0,0,2]=3 547 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [1,0,0,0,0,0|0,1,2]=4 548 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [1,0,0,0,0,0|2,0,1]=4 549 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [1,0,0,0,0,0|1,0,2]=4 550 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [1,0,0,0,0,0|2,0,1]=4 551 B6R1.2 O=C1CCCC1 MCULE-9455227735 [1,0,0,0,0,0|1,0,0]=2 552 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,0,0,0|1,0,0]=2 553 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,0,0,0|0,0,0]=1 554 B6R1.2 O=C1CCCS1 MCULE-5361654550 [1,0,0,0,0,0|0,1,0]=2 555 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,0,0,0|2,0,0]=3 556 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,0,0,0|2,0,0]=3 557 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,0,0,0|2,0,0]=3 558 B6R1.2 O=C1CCOC1 MCULE-2031733910 [1,0,0,0,0,0|2,0,0]=3 559 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,0,0,0|2,0,0]=3 560 B6R1.2 O=C1CCSC1 MCULE-2059655624 [1,0,0,0,0,0|2,0,0]=3 561 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [1,0,0,0,0,0|2,0,0]=3 562 B6R1.2 O=C1CNCN1 MCULE-2645891847 [1,0,0,0,0,0|2,0,0]=3 563 B6R1.2 O=C1CNCN1 MCULE-9269137129 [1,0,0,0,0,0|2,0,0]=3 564 B6R1.2 O=C1CSCN1 MCULE-3946660854 [1,0,0,0,0,0|2,0,0]=3 565 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [1,0,0,0,0,0|1,0,2]=4 566 B6R1.2 O=C1NCCN1 MCULE-9806791551 [1,0,0,0,0,0|2,0,0]=3 567 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,0,0,0|1,0,0]=2 568 B6R1.2 O=C1NCCS1 MCULE-6732478086 [1,0,0,0,0,0|1,1,0]=3 569 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [1,0,0,0,0,0|1,0,2]=4 570 B6R1.2 O=C1OCCO1 MCULE-9493253045 [1,0,0,0,0,0|1,0,0]=2 571 B6R1.2 O=S1CCCC1 MCULE-2442126780 [1,0,0,0,0,0|2,0,0]=3 572 B6R1.2 O=S1OCCO1 MCULE-5773173321 [1,0,0,0,0,0|2,0,0]=3 573 B6R1.2 OC1C=CCC1 MCULE-3857764876 [1,0,0,0,0,0|2,0,0]=3 574 B6R1.2 OC1C=CCO1 MCULE-4636930669 [1,0,0,0,0,0|3,0,0]=4 575 B6R1.2 OC1CC=CC1 MCULE-6176562196 [1,0,0,0,0,0|2,0,1]=4 576 B6R1.2 OC1CCCC1 MCULE-1758440264 [1,0,0,0,0,0|1,0,2]=4 577 B6R1.2 OC1CCCN1 MCULE-4787168972 [1,0,0,0,0,0|1,0,2]=4 578 B6R1.2 OC1CCCO1 MCULE-9632627344 [1,0,0,0,0,0|0,0,2]=3 579 B6R1.2 OC1CCNC1 MCULE-4307402606 [1,0,0,0,0,0|3,0,0]=4 580 B6R1.2 OC1CCNC1 MCULE-6745480350 [1,0,0,0,0,0|3,0,0]=4 581 B6R1.2 OC1CCOC1 MCULE-4469581028 [1,0,0,0,0,0|3,0,0]=4 582 B6R1.2 OC1CCSC1 MCULE-9796808599 [1,0,0,0,0,0|3,0,0]=4 583 B6R1.2 O[C@@H]1CCNC1 MCULE-8116497337 [1,0,0,0,0,0|3,0,0]=4 584 B6R1.2 O[C@@H]1CCNC1 MCULE-8578068948 [1,0,0,0,0,0|3,0,0]=4 585 B6R1.2 O[C@@H]1CCNC1 MCULE-9094582248 [1,0,0,0,0,0|3,0,0]=4 586 B6R1.2 O[C@@H]1CCNC1 MCULE-9933593352 [1,0,0,0,0,0|3,0,0]=4 587 B6R1.2 O[C@@H]1CCOC1 MCULE-7739141732 [1,0,0,0,0,0|3,0,0]=4 588 B6R1.2 O[C@@H]1CCOC1 MCULE-8344812226 [1,0,0,0,0,0|3,0,0]=4 589 B6R1.2 O[C@@H]1CCOC1 MCULE-9098074990 [1,0,0,0,0,0|3,0,0]=4 590 B6R1.2 O[C@@H]1CCSC1 MCULE-3532754705 [1,0,0,0,0,0|3,0,0]=4 591 B6R1.2 O[C@@H]1CCSC1 MCULE-5800407146 [1,0,0,0,0,0|3,0,0]=4 592 B6R1.2 O[C@H]1CCNC1 MCULE-1100098088 [1,0,0,0,0,0|3,0,0]=4 593 B6R1.2 O[C@H]1CCNC1 MCULE-3493644065 [1,0,0,0,0,0|3,0,0]=4 594 B6R1.2 O[C@H]1CCNC1 MCULE-3778918259 [1,0,0,0,0,0|3,0,0]=4 595 B6R1.2 O[C@H]1CCNC1 MCULE-4680162054 [1,0,0,0,0,0|3,0,0]=4 596 B6R1.2 O[C@H]1CCOC1 MCULE-8518846297 [1,0,0,0,0,0|3,0,0]=4 597 B6R1.2 O[C@H]1CCOC1 MCULE-9544747995 [1,0,0,0,0,0|3,0,0]=4 598 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [1,0,0,0,0,0|2,0,0]=3 599 B6R1.2 S=C1CCCN1 MCULE-1089290822 [1,0,0,0,0,0|1,1,0]=3 600 B6R1.2 S=C1NCCN1 MCULE-3300710815 [1,0,0,0,0,0|2,1,0]=4 601 B6R1.2 S=C1SCCS1 MCULE-3003900032 [1,0,0,0,0,0|1,2,0]=4 602 B6R1.2 SC1=NCCO1 MCULE-6684545723 [1,0,0,0,0,0|1,1,0]=3 603 B6R1.2 SC1=NCCS1 MCULE-6840772268 [1,0,0,0,0,0|1,2,0]=4 604 B6R1.2 SC1CCCC1 MCULE-5932400506 [1,0,0,0,0,0|1,1,1]=4 605 B6R1.2 SC1CCOC1 MCULE-9247906418 [1,0,0,0,0,0|3,0,0]=4 606 B6R1.2 SC1CCSC1 MCULE-5955380477 [1,0,0,0,0,0|3,0,0]=4 607 B6R1.2 [NH3+]C1CC[NH2+]C1 MCULE-3374468196 [1,0,0,0,0,0|3,0,0]=4 608 B8R1.1 C#CC1COC(=O)N1 MCULE-7019791209 [0,1,0,0,0,0|2,0,1]=4 609 B8R1.1 C#C[C@@H]1COC(=O)N1 MCULE-3103635703 [0,1,0,0,0,0|2,0,1]=4 610 B8R1.1 C#C[C@@H]1COC(=O)N1 MCULE-7796064143 [0,1,0,0,0,0|2,0,1]=4 611 B8R1.1 C#C[C@H]1COC(=O)N1 MCULE-4375742729 [0,1,0,0,0,0|2,0,1]=4 612 B8R1.1 C#C[C@H]1COC(=O)N1 MCULE-5542662617 [0,1,0,0,0,0|2,0,1]=4 613 B8R1.1 C1(CCC(=O)N1)CBr MCULE-4451864575 [0,1,0,0,0,0|1,0,0]=2 614 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [0,1,0,0,0,0|1,0,0]=2 615 B8R1.1 C1(CCC(=O)N1)CO MCULE-8513534447 [0,1,0,0,0,0|1,0,0]=2 616 B8R1.1 C1(CCN(C1)C)CN MCULE-1228423029 [0,1,0,0,0,0|3,0,0]=4 617 B8R1.1 C1(CCN(C1)C)CO MCULE-8028593286 [0,1,0,0,0,0|3,0,0]=4 618 B8R1.1 C1(CCN(C1)C)NC MCULE-6695451960 [0,1,0,0,0,0|3,0,0]=4 619 B8R1.1 C1(CNC(=O)C1)CN MCULE-6663370335 [0,1,0,0,0,0|2,0,0]=3 620 B8R1.1 C1(CNC(=O)C1)CN MCULE-8237162259 [0,1,0,0,0,0|2,0,0]=3 621 B8R1.1 C1(CNC(=O)O1)CO MCULE-2451079587 [0,1,0,0,0,0|1,0,0]=2 622 B8R1.1 C=C1CN[C@@H](C1)CO MCULE-2356105510 [0,1,0,0,0,0|3,0,0]=4 623 B8R1.1 C=C1CN[C@@H](C1)CO MCULE-8856338816 [0,1,0,0,0,0|3,0,0]=4 624 B8R1.1 C=CC1CCC(=O)N1 MCULE-7994900822 [0,1,0,0,0,0|1,0,1]=3 625 B8R1.1 C=CC1CNC(=S)O1 MCULE-8659277316 [0,1,0,0,0,0|1,1,1]=4 626 B8R1.1 C=CC1COC(=O)C1 MCULE-5888906344 [0,1,0,0,0,0|2,0,1]=4 627 B8R1.1 C=CC1COC(=O)C1 MCULE-8602073759 [0,1,0,0,0,0|2,0,1]=4 628 B8R1.1 C=CC1COC(=O)O1 MCULE-3470962220 [0,1,0,0,0,0|1,0,1]=3 629 B8R1.1 C=C[C@@H]1CNC(=S)O1 MCULE-2735890077 [0,1,0,0,0,0|1,1,1]=4 630 B8R1.1 C=C[C@@H]1CNC(=S)O1 MCULE-2887337910 [0,1,0,0,0,0|1,1,1]=4 631 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-1274088394 [0,1,0,0,0,0|2,0,1]=4 632 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-3162707973 [0,1,0,0,0,0|2,0,1]=4 633 B8R1.1 C=C[C@@H]1COC(=O)N1 MCULE-1532767336 [0,1,0,0,0,0|2,0,1]=4 634 B8R1.1 C=C[C@@H]1COC(=O)N1 MCULE-3932839401 [0,1,0,0,0,0|2,0,1]=4 635 B8R1.1 C=C[C@H]1CNC(=S)O1 MCULE-3494236866 [0,1,0,0,0,0|1,1,1]=4 636 B8R1.1 C=C[C@H]1COC(=O)N1 MCULE-3492854139 [0,1,0,0,0,0|2,0,1]=4 637 B8R1.1 C=C[C@H]1COC(=O)N1 MCULE-9796474747 [0,1,0,0,0,0|2,0,1]=4 638 B8R1.1 CC1=CC=C(O1)C=O MCULE-8936450429 [0,1,0,0,0,0|0,0,3]=4 639 B8R1.1 CC1=CN=C(O1)C=O MCULE-7319634106 [0,1,0,0,0,0|1,0,2]=4 640 B8R1.1 CC1=NC(CO1)CBr MCULE-4046707435 [0,1,0,0,0,0|3,0,0]=4 641 B8R1.1 CC1=NC=C(O1)C=O MCULE-1917920554 [0,1,0,0,0,0|1,0,2]=4 642 B8R1.1 CC1=NN=C(O1)C=O MCULE-3608736984 [0,1,0,0,0,0|2,0,1]=4 643 B8R1.1 CC1CCC(C1)C#N MCULE-2178859708 [0,1,0,0,0,0|2,0,1]=4 644 B8R1.1 CC1CCC(C1)C=O MCULE-9381232427 [0,1,0,0,0,0|1,0,1]=3 645 B8R1.1 CC1CCC(C1)CN MCULE-9731521461 [0,1,0,0,0,0|2,0,1]=4 646 B8R1.1 CC1CCC(C1)CO MCULE-3130047677 [0,1,0,0,0,0|1,0,2]=4 647 B8R1.1 CC1CCC(N1)CO MCULE-7935473441 [0,1,0,0,0,0|1,0,2]=4 648 B8R1.1 CC1CCC(N1)CO MCULE-8743496847 [0,1,0,0,0,0|1,0,2]=4 649 B8R1.1 CC1CCC(O1)CI MCULE-2805289539 [0,1,0,0,0,0|1,0,1]=3 650 B8R1.1 CC1CCC(O1)CN MCULE-4161233821 [0,1,0,0,0,0|1,0,1]=3 651 B8R1.1 CC1CCC(O1)CO MCULE-1587985152 [0,1,0,0,0,0|0,0,2]=3 652 B8R1.1 CC1CN=C(N1)NN MCULE-1932322399 [0,1,0,0,0,0|3,0,0]=4 653 B8R1.1 CC1CN=C(N1)NN MCULE-5229196260 [0,1,0,0,0,0|3,0,0]=4 654 B8R1.1 CC1CNC(=N1)NN MCULE-4857080777 [0,1,0,0,0,0|3,0,0]=4 655 B8R1.1 CC1OCC(O1)CO MCULE-1328866429 [0,1,0,0,0,0|1,0,2]=4 656 B8R1.1 CCC1=CC(=O)CC1 MCULE-6681801286 [0,1,0,0,0,0|1,0,1]=3 657 B8R1.1 CCC1=NC(CN1)C MCULE-6333019212 [0,1,0,0,0,0|3,0,0]=4 658 B8R1.1 CCC1C=CC(=O)O1 MCULE-8058927851 [0,1,0,0,0,0|0,0,2]=3 659 B8R1.1 CCC1CC(=O)CO1 MCULE-7105024194 [0,1,0,0,0,0|2,0,0]=3 660 B8R1.1 CCC1CCC(=O)C1 MCULE-8455504217 [0,1,0,0,0,0|1,0,0]=2 661 B8R1.1 CCC1CCC(=O)N1 MCULE-6150249637 [0,1,0,0,0,0|1,0,0]=2 662 B8R1.1 CCC1CCC(=O)O1 MCULE-5161861312 [0,1,0,0,0,0|0,0,0]=1 663 B8R1.1 CCC1CNC(=O)C1 MCULE-1800672545 [0,1,0,0,0,0|2,0,0]=3 664 B8R1.1 CCC1CNC(=O)O1 MCULE-9388725409 [0,1,0,0,0,0|1,0,0]=2 665 B8R1.1 CCC1COC(=N1)C MCULE-1406641220 [0,1,0,0,0,0|3,0,0]=4 666 B8R1.1 CCC1COC(=O)C1 MCULE-1996435734 [0,1,0,0,0,0|2,0,0]=3 667 B8R1.1 CCC1COC(=O)N1 MCULE-4345668230 [0,1,0,0,0,0|2,0,0]=3 668 B8R1.1 CCC1COC(=O)O1 MCULE-5743084846 [0,1,0,0,0,0|1,0,0]=2 669 B8R1.1 CCC1CSC(=N1)C MCULE-4393928745 [0,1,0,0,0,0|3,0,0]=4 670 B8R1.1 CCC1OCC(O1)C MCULE-6723875164 [0,1,0,0,0,0|2,0,1]=4 671 B8R1.1 CCN1CCC(=O)C1 MCULE-5806094458 [0,1,0,0,0,0|2,0,0]=3 672 B8R1.1 CC[C@@H]1CCC(=O)C1 MCULE-7687801028 [0,1,0,0,0,0|1,0,0]=2 673 B8R1.1 CC[C@@H]1CCC(=O)O1 MCULE-9831904901 [0,1,0,0,0,0|0,0,0]=1 674 B8R1.1 CC[C@H]1CCC(=O)C1 MCULE-6479003670 [0,1,0,0,0,0|1,0,0]=2 675 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-2443615902 [0,1,0,0,0,0|2,0,0]=3 676 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-9191549724 [0,1,0,0,0,0|2,0,0]=3 677 B8R1.1 CN1CCC(C1)CBr MCULE-3254744278 [0,1,0,0,0,0|3,0,0]=4 678 B8R1.1 CN1CCC(C1)CBr MCULE-7875661007 [0,1,0,0,0,0|3,0,0]=4 679 B8R1.1 CN1CCC(C1)CCl MCULE-1838271760 [0,1,0,0,0,0|3,0,0]=4 680 B8R1.1 CN1CCC(C1)CCl MCULE-7017741490 [0,1,0,0,0,0|3,0,0]=4 681 B8R1.1 CN1CCC(C1)CI MCULE-5901809049 [0,1,0,0,0,0|3,0,0]=4 682 B8R1.1 CN1CCC(C1)CN MCULE-1055157717 [0,1,0,0,0,0|3,0,0]=4 683 B8R1.1 CN1CCC(C1)CN MCULE-4961802986 [0,1,0,0,0,0|3,0,0]=4 684 B8R1.1 CN1CCC(C1)CN MCULE-7134331201 [0,1,0,0,0,0|3,0,0]=4 685 B8R1.1 CN1CCC(C1)CO MCULE-8101582241 [0,1,0,0,0,0|3,0,0]=4 686 B8R1.1 CN1CC[C@@H](C1)CN MCULE-4682250431 [0,1,0,0,0,0|3,0,0]=4 687 B8R1.1 CN1CC[C@@H](C1)CN MCULE-7978590046 [0,1,0,0,0,0|3,0,0]=4 688 B8R1.1 CN1CC[C@@H](C1)CN MCULE-9059685471 [0,1,0,0,0,0|3,0,0]=4 689 B8R1.1 CN1CC[C@@H](C1)CO MCULE-3904654758 [0,1,0,0,0,0|3,0,0]=4 690 B8R1.1 CN1CC[C@@H](C1)CO MCULE-5091184467 [0,1,0,0,0,0|3,0,0]=4 691 B8R1.1 CN1CC[C@H](C1)CN MCULE-1864968995 [0,1,0,0,0,0|3,0,0]=4 692 B8R1.1 CN1CC[C@H](C1)CN MCULE-3495270300 [0,1,0,0,0,0|3,0,0]=4 693 B8R1.1 CN1CC[C@H](C1)CN MCULE-6029010150 [0,1,0,0,0,0|3,0,0]=4 694 B8R1.1 CN1CC[C@H](C1)CN MCULE-7061479346 [0,1,0,0,0,0|3,0,0]=4 695 B8R1.1 CN1CC[C@H](C1)CO MCULE-7548866217 [0,1,0,0,0,0|3,0,0]=4 696 B8R1.1 CN1CC[C@H](C1)CO MCULE-9206143876 [0,1,0,0,0,0|3,0,0]=4 697 B8R1.1 CNC1=NC(=O)CS1 MCULE-8138376147 [0,1,0,0,0,0|2,0,1]=4 698 B8R1.1 CNC1=NCC(S1)C MCULE-2475573763 [0,1,0,0,0,0|2,1,0]=4 699 B8R1.1 CNC1CCC(C1)C MCULE-2606421374 [0,1,0,0,0,0|2,0,1]=4 700 B8R1.1 CNC1CCC(C1)O MCULE-1177292585 [0,1,0,0,0,0|1,0,2]=4 701 B8R1.1 CNC1CCC(C1)O MCULE-5259471149 [0,1,0,0,0,0|1,0,2]=4 702 B8R1.1 CNC1CCN(C1)C MCULE-6508268802 [0,1,0,0,0,0|3,0,0]=4 703 B8R1.1 CNC1CCN(C1)C MCULE-8530285406 [0,1,0,0,0,0|3,0,0]=4 704 B8R1.1 CNC1CNC(=O)C1 MCULE-1673491824 [0,1,0,0,0,0|2,0,0]=3 705 B8R1.1 CN[C@@H]1CCN(C1)C MCULE-4467826567 [0,1,0,0,0,0|3,0,0]=4 706 B8R1.1 CN[C@@H]1CCN(C1)C MCULE-6754872836 [0,1,0,0,0,0|3,0,0]=4 707 B8R1.1 CN[C@@H]1CCN(C1)C MCULE-8022505695 [0,1,0,0,0,0|3,0,0]=4 708 B8R1.1 CN[C@@H]1CC[C@@H](C1)O MCULE-3921744037 [0,1,0,0,0,0|1,0,2]=4 709 B8R1.1 CN[C@H]1CCN(C1)C MCULE-3244360831 [0,1,0,0,0,0|3,0,0]=4 710 B8R1.1 CN[C@H]1CCN(C1)C MCULE-9444911110 [0,1,0,0,0,0|3,0,0]=4 711 B8R1.1 CN[C@H]1CCN(C1)C MCULE-9663015668 [0,1,0,0,0,0|3,0,0]=4 712 B8R1.1 CN[C@H]1CNC(=O)C1 MCULE-7859463391 [0,1,0,0,0,0|2,0,0]=3 713 B8R1.1 COC1=CC(=O)CC1 MCULE-7963656232 [0,1,0,0,0,0|1,0,1]=3 714 B8R1.1 COC1=CC(=O)NC1 MCULE-1983848021 [0,1,0,0,0,0|2,0,1]=4 715 B8R1.1 COC1=CC(=O)OC1 MCULE-9199919492 [0,1,0,0,0,0|2,0,1]=4 716 B8R1.1 COC1C=CC(=O)C1 MCULE-3904672515 [0,1,0,0,0,0|1,0,2]=4 717 B8R1.1 COC1CCC(=O)C1 MCULE-3259977239 [0,1,0,0,0,0|1,0,0]=2 718 B8R1.1 COC1CCC(=O)N1 MCULE-9661875090 [0,1,0,0,0,0|1,0,0]=2 719 B8R1.1 COC1CCC(C1)Br MCULE-2042021360 [0,1,0,0,0,0|2,0,1]=4 720 B8R1.1 COC1CCC(C1)N MCULE-4717179971 [0,1,0,0,0,0|2,0,1]=4 721 B8R1.1 COC1CCC(C1)N MCULE-6288105544 [0,1,0,0,0,0|2,0,1]=4 722 B8R1.1 COC1CCC(C1)O MCULE-3531007988 [0,1,0,0,0,0|1,0,2]=4 723 B8R1.1 COC1CCN(C1)N MCULE-3497385185 [0,1,0,0,0,0|3,0,0]=4 724 B8R1.1 COC1CNC(=O)C1 MCULE-2023546447 [0,1,0,0,0,0|2,0,0]=3 725 B8R1.1 CO[C@@H]1CC[C@@H](C1)N MCULE-2875608408 [0,1,0,0,0,0|2,0,1]=4 726 B8R1.1 CO[C@@H]1CC[C@@H](C1)N MCULE-8416754512 [0,1,0,0,0,0|2,0,1]=4 727 B8R1.1 CO[C@@H]1CC[C@@H](C1)O MCULE-5232016028 [0,1,0,0,0,0|1,0,2]=4 728 B8R1.1 CO[C@@H]1CC[C@H](C1)N MCULE-1888407079 [0,1,0,0,0,0|2,0,1]=4 729 B8R1.1 CO[C@@H]1CC[C@H](C1)N MCULE-2445501949 [0,1,0,0,0,0|2,0,1]=4 730 B8R1.1 CO[C@@H]1CC[C@H](C1)N MCULE-6019984409 [0,1,0,0,0,0|2,0,1]=4 731 B8R1.1 CO[C@@H]1CC[C@H](C1)N MCULE-6778321044 [0,1,0,0,0,0|2,0,1]=4 732 B8R1.1 CO[C@H]1CCN(C1)C MCULE-3202078388 [0,1,0,0,0,0|3,0,0]=4 733 B8R1.1 CO[C@H]1CC[C@@H](C1)N MCULE-1126971030 [0,1,0,0,0,0|2,0,1]=4 734 B8R1.1 CO[C@H]1CC[C@@H](C1)N MCULE-2897044722 [0,1,0,0,0,0|2,0,1]=4 735 B8R1.1 CO[C@H]1CC[C@@H](C1)N MCULE-5627949204 [0,1,0,0,0,0|2,0,1]=4 736 B8R1.1 CO[C@H]1CC[C@@H](C1)N MCULE-8060845967 [0,1,0,0,0,0|2,0,1]=4 737 B8R1.1 CO[C@H]1CC[C@H](C1)N MCULE-1601734575 [0,1,0,0,0,0|2,0,1]=4 738 B8R1.1 CO[C@H]1CC[C@H](C1)N MCULE-1920912186 [0,1,0,0,0,0|2,0,1]=4 739 B8R1.1 CO[C@H]1CC[C@H](C1)N MCULE-3006479304 [0,1,0,0,0,0|2,0,1]=4 740 B8R1.1 CO[C@H]1CC[C@H](C1)N MCULE-4560375617 [0,1,0,0,0,0|2,0,1]=4 741 B8R1.1 CSC1=NC(=O)CN1 MCULE-2550909457 [0,1,0,0,0,0|2,0,1]=4 742 B8R1.1 CSC1=NC(=O)CS1 MCULE-8345887508 [0,1,0,0,0,0|2,0,1]=4 743 B8R1.1 CSC1=NC(CN1)C MCULE-5363773569 [0,1,0,0,0,0|2,1,0]=4 744 B8R1.1 CSC1=NC(CN1)C MCULE-7884427745 [0,1,0,0,0,0|2,1,0]=4 745 B8R1.1 CSC1=NC(CS1)C MCULE-7229347458 [0,1,0,0,0,0|2,1,0]=4 746 B8R1.1 CSC1CCC(C1)N MCULE-5954197639 [0,1,0,0,0,0|2,0,1]=4 747 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-5635555767 [0,1,0,0,0,0|1,0,2]=4 748 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-7103292821 [0,1,0,0,0,0|1,0,2]=4 749 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-8577607094 [0,1,0,0,0,0|1,0,2]=4 750 B8R1.1 C[C@@H]1CC[C@@H](N1)CO MCULE-8853557592 [0,1,0,0,0,0|1,0,2]=4 751 B8R1.1 C[C@@H]1CC[C@@H](O1)CO MCULE-1981408927 [0,1,0,0,0,0|0,0,2]=3 752 B8R1.1 C[C@@H]1CC[C@@H](O1)CO MCULE-2750103072 [0,1,0,0,0,0|0,0,2]=3 753 B8R1.1 C[C@H]1CC[C@H](N1)CO MCULE-5943356667 [0,1,0,0,0,0|1,0,2]=4 754 B8R1.1 C[C@H]1CC[C@H](N1)CO MCULE-6303404144 [0,1,0,0,0,0|1,0,2]=4 755 B8R1.1 C[C@H]1CC[C@H](O1)CO MCULE-2585928492 [0,1,0,0,0,0|0,0,2]=3 756 B8R1.1 C[C@H]1CC[C@H](O1)CO MCULE-3715649264 [0,1,0,0,0,0|0,0,2]=3 757 B8R1.1 N#CC1CCC(=O)C1 MCULE-3783981366 [0,1,0,0,0,0|1,0,1]=3 758 B8R1.1 N#CC1CNC(=O)C1 MCULE-7040868747 [0,1,0,0,0,0|2,0,1]=4 759 B8R1.1 N#CC1COC(=O)O1 MCULE-7635108167 [0,1,0,0,0,0|1,0,1]=3 760 B8R1.1 N#C[C@@H]1CCC(=O)C1 MCULE-1506687355 [0,1,0,0,0,0|1,0,1]=3 761 B8R1.1 N#C[C@H]1CCC(=O)C1 MCULE-3791390646 [0,1,0,0,0,0|1,0,1]=3 762 B8R1.1 NC1=NC(CS1)CBr MCULE-2891354982 [0,1,0,0,0,0|3,0,0]=4 763 B8R1.1 NC1=NCC(O1)CBr MCULE-8408311546 [0,1,0,0,0,0|2,0,0]=3 764 B8R1.1 NC1=NCC(O1)CBr MCULE-9513559204 [0,1,0,0,0,0|2,0,0]=3 765 B8R1.1 NC1=NCC(S1)CBr MCULE-1640759813 [0,1,0,0,0,0|2,1,0]=4 766 B8R1.1 NC1=NCC(S1)CBr MCULE-2376391791 [0,1,0,0,0,0|2,1,0]=4 767 B8R1.1 NC1=NCC(S1)CI MCULE-2422472145 [0,1,0,0,0,0|2,1,0]=4 768 B8R1.1 NC1=NCC(S1)CI MCULE-7694704866 [0,1,0,0,0,0|2,1,0]=4 769 B8R1.1 NC1=NCC(S1)CO MCULE-4504619516 [0,1,0,0,0,0|2,1,0]=4 770 B8R1.1 NC1=NCC(S1)CO MCULE-6571214900 [0,1,0,0,0,0|2,1,0]=4 771 B8R1.1 NC1=NCC(S1)CO MCULE-9202205601 [0,1,0,0,0,0|2,1,0]=4 772 B8R1.1 NCC1=NNC(=O)O1 MCULE-2902836160 [0,1,0,0,0,0|2,0,1]=4 773 B8R1.1 NCC1=NNC(=O)O1 MCULE-4183826388 [0,1,0,0,0,0|2,0,1]=4 774 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [0,1,0,0,0,0|1,0,0]=2 775 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [0,1,0,0,0,0|1,0,0]=2 776 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [0,1,0,0,0,0|1,0,0]=2 777 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [0,1,0,0,0,0|1,0,0]=2 778 B8R1.1 NCC1CCC(=O)O1 MCULE-5413792723 [0,1,0,0,0,0|0,0,0]=1 779 B8R1.1 NCC1CCC(=O)O1 MCULE-8312895206 [0,1,0,0,0,0|0,0,0]=1 780 B8R1.1 NCC1CCC(C1)F MCULE-2506364284 [0,1,0,0,0,0|2,0,1]=4 781 B8R1.1 NCC1CCC(C1)F MCULE-9762668275 [0,1,0,0,0,0|2,0,1]=4 782 B8R1.1 NCC1CCC(C1)O MCULE-1780130995 [0,1,0,0,0,0|1,0,2]=4 783 B8R1.1 NCC1CCC(C1)O MCULE-5002398342 [0,1,0,0,0,0|1,0,2]=4 784 B8R1.1 NCC1CNC(=O)C1 MCULE-2522987651 [0,1,0,0,0,0|2,0,0]=3 785 B8R1.1 NCC1CNC(=O)C1 MCULE-7249550892 [0,1,0,0,0,0|2,0,0]=3 786 B8R1.1 NCC1CNC(=O)C1 MCULE-7253893960 [0,1,0,0,0,0|2,0,0]=3 787 B8R1.1 NCC1CNC(=O)O1 MCULE-3940030823 [0,1,0,0,0,0|1,0,0]=2 788 B8R1.1 NCC1CNC(=O)O1 MCULE-7671055394 [0,1,0,0,0,0|1,0,0]=2 789 B8R1.1 NCC1COC(=O)N1 MCULE-8454292565 [0,1,0,0,0,0|2,0,0]=3 790 B8R1.1 NCC1COC(=O)N1 MCULE-9068275563 [0,1,0,0,0,0|2,0,0]=3 791 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [0,1,0,0,0,0|1,0,0]=2 792 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [0,1,0,0,0,0|1,0,0]=2 793 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [0,1,0,0,0,0|1,0,0]=2 794 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [0,1,0,0,0,0|1,0,0]=2 795 B8R1.1 NC[C@@H]1CC[C@@H](C1)O MCULE-2662561877 [0,1,0,0,0,0|1,0,2]=4 796 B8R1.1 NC[C@@H]1CC[C@H](C1)F MCULE-1669600965 [0,1,0,0,0,0|2,0,1]=4 797 B8R1.1 NC[C@@H]1CC[C@H](C1)F MCULE-5430633197 [0,1,0,0,0,0|2,0,1]=4 798 B8R1.1 NC[C@@H]1CC[C@H](C1)O MCULE-9258933196 [0,1,0,0,0,0|1,0,2]=4 799 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-1184474214 [0,1,0,0,0,0|2,0,0]=3 800 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-2421452869 [0,1,0,0,0,0|2,0,0]=3 801 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-3903743084 [0,1,0,0,0,0|2,0,0]=3 802 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-9080425518 [0,1,0,0,0,0|2,0,0]=3 803 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-1463241001 [0,1,0,0,0,0|1,0,0]=2 804 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-3217887113 [0,1,0,0,0,0|1,0,0]=2 805 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-5423398321 [0,1,0,0,0,0|1,0,0]=2 806 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-9322185538 [0,1,0,0,0,0|1,0,0]=2 807 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [0,1,0,0,0,0|1,0,0]=2 808 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [0,1,0,0,0,0|1,0,0]=2 809 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [0,1,0,0,0,0|1,0,0]=2 810 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [0,1,0,0,0,0|1,0,0]=2 811 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-1995293557 [0,1,0,0,0,0|1,0,2]=4 812 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-9517253792 [0,1,0,0,0,0|1,0,2]=4 813 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-5659749587 [0,1,0,0,0,0|1,0,2]=4 814 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-9056303043 [0,1,0,0,0,0|1,0,2]=4 815 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-7212975165 [0,1,0,0,0,0|2,0,0]=3 816 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8203034485 [0,1,0,0,0,0|2,0,0]=3 817 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8803246698 [0,1,0,0,0,0|2,0,0]=3 818 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-9580224880 [0,1,0,0,0,0|2,0,0]=3 819 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-1224919034 [0,1,0,0,0,0|1,0,0]=2 820 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6003746665 [0,1,0,0,0,0|1,0,0]=2 821 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6937146715 [0,1,0,0,0,0|1,0,0]=2 822 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-9419881517 [0,1,0,0,0,0|1,0,0]=2 823 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-1988909942 [0,1,0,0,0,0|2,0,0]=3 824 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-9340310155 [0,1,0,0,0,0|2,0,0]=3 825 B8R1.1 O=C1C=C(CO1)CBr MCULE-1493137482 [0,1,0,0,0,0|2,0,1]=4 826 B8R1.1 O=C1C=C(CO1)CI MCULE-7834471824 [0,1,0,0,0,0|2,0,1]=4 827 B8R1.1 O=C1C=C(CO1)CO MCULE-9263407854 [0,1,0,0,0,0|2,0,1]=4 828 B8R1.1 O=C1C=CC(O1)CBr MCULE-5454606396 [0,1,0,0,0,0|0,0,2]=3 829 B8R1.1 O=C1C=CC(O1)CO MCULE-4249850069 [0,1,0,0,0,0|0,0,2]=3 830 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-3027706549 [0,1,0,0,0,0|0,0,2]=3 831 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-5764400462 [0,1,0,0,0,0|0,0,2]=3 832 B8R1.1 O=C1CC(CN1)CBr MCULE-1780879209 [0,1,0,0,0,0|2,0,0]=3 833 B8R1.1 O=C1CC(CN1)CO MCULE-8619053563 [0,1,0,0,0,0|2,0,0]=3 834 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [0,1,0,0,0,0|2,0,0]=3 835 B8R1.1 O=C1CCC(C1)CF MCULE-9077358027 [0,1,0,0,0,0|1,0,0]=2 836 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [0,1,0,0,0,0|1,0,0]=2 837 B8R1.1 O=C1CCC(N1)CBr MCULE-7024022934 [0,1,0,0,0,0|1,0,0]=2 838 B8R1.1 O=C1CCC(N1)CI MCULE-6956070937 [0,1,0,0,0,0|1,0,0]=2 839 B8R1.1 O=C1CCC(N1)CO MCULE-1498000761 [0,1,0,0,0,0|1,0,0]=2 840 B8R1.1 O=C1CCC(O1)CBr MCULE-9370722806 [0,1,0,0,0,0|0,0,0]=1 841 B8R1.1 O=C1CCC(O1)CCl MCULE-3199749385 [0,1,0,0,0,0|0,0,0]=1 842 B8R1.1 O=C1CCC(O1)CI MCULE-4432096360 [0,1,0,0,0,0|0,0,0]=1 843 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [0,1,0,0,0,0|0,0,0]=1 844 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [0,1,0,0,0,0|0,0,0]=1 845 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [0,1,0,0,0,0|1,0,0]=2 846 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [0,1,0,0,0,0|1,0,0]=2 847 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-4537645558 [0,1,0,0,0,0|1,0,0]=2 848 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-6830001458 [0,1,0,0,0,0|1,0,0]=2 849 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3021506643 [0,1,0,0,0,0|1,0,0]=2 850 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3659077476 [0,1,0,0,0,0|1,0,0]=2 851 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [0,1,0,0,0,0|0,0,0]=1 852 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [0,1,0,0,0,0|0,0,0]=1 853 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-1684731751 [0,1,0,0,0,0|1,0,0]=2 854 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-4479348379 [0,1,0,0,0,0|1,0,0]=2 855 B8R1.1 O=C1CC[C@H](N1)CO MCULE-4532009930 [0,1,0,0,0,0|1,0,0]=2 856 B8R1.1 O=C1CC[C@H](N1)CO MCULE-6466848372 [0,1,0,0,0,0|1,0,0]=2 857 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [0,1,0,0,0,0|0,0,0]=1 858 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [0,1,0,0,0,0|0,0,0]=1 859 B8R1.1 O=C1C[C@@H](CN1)CO MCULE-5572559100 [0,1,0,0,0,0|2,0,0]=3 860 B8R1.1 O=C1C[C@H](CN1)CO MCULE-4450345453 [0,1,0,0,0,0|2,0,0]=3 861 B8R1.1 O=C1NC(CO1)CI MCULE-3725463438 [0,1,0,0,0,0|2,0,0]=3 862 B8R1.1 O=C1NC(CO1)CI MCULE-8271591026 [0,1,0,0,0,0|2,0,0]=3 863 B8R1.1 O=C1NC(CO1)CO MCULE-8296379772 [0,1,0,0,0,0|2,0,0]=3 864 B8R1.1 O=C1NC(CO1)CO MCULE-9797812862 [0,1,0,0,0,0|2,0,0]=3 865 B8R1.1 O=C1NCC(O1)CBr MCULE-3294572412 [0,1,0,0,0,0|1,0,0]=2 866 B8R1.1 O=C1NCC(O1)CCl MCULE-6711754093 [0,1,0,0,0,0|1,0,0]=2 867 B8R1.1 O=C1NCC(O1)CCl MCULE-6847066968 [0,1,0,0,0,0|1,0,0]=2 868 B8R1.1 O=C1NCC(O1)CO MCULE-8225938772 [0,1,0,0,0,0|1,0,0]=2 869 B8R1.1 O=C1NCC(S1)CBr MCULE-9963419555 [0,1,0,0,0,0|1,1,0]=3 870 B8R1.1 O=C1NC[C@@H](O1)CCl MCULE-4606501061 [0,1,0,0,0,0|1,0,0]=2 871 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-4749906822 [0,1,0,0,0,0|1,0,0]=2 872 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-7879354917 [0,1,0,0,0,0|1,0,0]=2 873 B8R1.1 O=C1NC[C@H](O1)CCl MCULE-1912687608 [0,1,0,0,0,0|1,0,0]=2 874 B8R1.1 O=C1NC[C@H](O1)CO MCULE-2698871687 [0,1,0,0,0,0|1,0,0]=2 875 B8R1.1 O=C1NC[C@H](O1)CO MCULE-5771560221 [0,1,0,0,0,0|1,0,0]=2 876 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-2270288938 [0,1,0,0,0,0|2,0,0]=3 877 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-5533745846 [0,1,0,0,0,0|2,0,0]=3 878 B8R1.1 O=C1N[C@H](CO1)CI MCULE-5817468950 [0,1,0,0,0,0|2,0,0]=3 879 B8R1.1 O=C1N[C@H](CO1)CI MCULE-6940377154 [0,1,0,0,0,0|2,0,0]=3 880 B8R1.1 O=C1N[C@H](CO1)CO MCULE-3186572246 [0,1,0,0,0,0|2,0,0]=3 881 B8R1.1 O=C1N[C@H](CO1)CO MCULE-4534112642 [0,1,0,0,0,0|2,0,0]=3 882 B8R1.1 O=C1OCC(O1)CCl MCULE-7212643481 [0,1,0,0,0,0|1,0,0]=2 883 B8R1.1 O=C1OCC(O1)CF MCULE-2066386250 [0,1,0,0,0,0|1,0,0]=2 884 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [0,1,0,0,0,0|1,0,0]=2 885 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [0,1,0,0,0,0|2,0,1]=4 886 B8R1.1 OCC1CCC(C1)F MCULE-4786923020 [0,1,0,0,0,0|2,0,1]=4 887 B8R1.1 OCC1CCC(C1)O MCULE-5225292788 [0,1,0,0,0,0|1,0,2]=4 888 B8R1.1 OC[C@@H]1CC[C@@H](C1)O MCULE-7117159358 [0,1,0,0,0,0|1,0,2]=4 889 B8R1.1 OC[C@@H]1CC[C@H](C1)F MCULE-4252726732 [0,1,0,0,0,0|2,0,1]=4 890 B8R1.1 OC[C@H]1CC[C@@H](C1)O MCULE-7760122854 [0,1,0,0,0,0|1,0,2]=4 891 B8R1.1 OC[C@H]1CC[C@@H](C1)O MCULE-9132554470 [0,1,0,0,0,0|1,0,2]=4 892 B8R1.1 [C@@H]1(COC(=O)C1)C=C MCULE-1356778810 [0,1,0,0,0,0|2,0,1]=4 893 B8R1.1 [C@H]1(CC[C@H](C1)CN)F MCULE-4146565646 [0,1,0,0,0,0|2,0,1]=4 894 B8R1.1 [C@H]1(CC[C@H](C1)CN)F MCULE-5300714166 [0,1,0,0,0,0|2,0,1]=4 895 B8R1.1 [C@H]1(CNC(=O)O1)CCl MCULE-6032247892 [0,1,0,0,0,0|1,0,0]=2 896 B8R1.1 [NH3+]C1=NC(CS1)CBr MCULE-4019292912 [0,1,0,0,0,0|3,0,0]=4 897 B8R1.18 C=C1CC(=O)OC1=O MCULE-1819893564 [0,1,0,0,0,0|1,0,2]=4 898 B8R1.18 C=C1CC(OC1=O)C MCULE-4610228867 [0,1,0,0,0,0|0,0,1]=2 899 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [0,1,0,0,0,0|1,0,2]=4 900 B8R1.18 CC1=C(OC(=O)O1)C MCULE-2205012091 [0,1,0,0,0,0|1,0,2]=4 901 B8R1.18 CC1=CC(=O)C(O1)C MCULE-7165152063 [0,1,0,0,0,0|1,0,2]=4 902 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [0,1,0,0,0,0|1,0,1]=3 903 B8R1.18 CC1=CC(=O)OC1O MCULE-2111708862 [0,1,0,0,0,0|1,0,2]=4 904 B8R1.18 CC1=CC(=O)O[C@@H]1O MCULE-3894053073 [0,1,0,0,0,0|1,0,2]=4 905 B8R1.18 CC1=CC(OC1=O)Br MCULE-3845731354 [0,1,0,0,0,0|1,0,2]=4 906 B8R1.18 CC1=CC(OC1=O)Cl MCULE-5657964064 [0,1,0,0,0,0|1,0,2]=4 907 B8R1.18 CC1=CC(OC1=O)O MCULE-9085952542 [0,1,0,0,0,0|1,0,2]=4 908 B8R1.18 CC1=NC(C(S1)C)C MCULE-1424136465 [0,1,0,0,0,0|2,1,0]=4 909 B8R1.18 CC1=NC(OC1C)C MCULE-1601265239 [0,1,0,0,0,0|3,0,0]=4 910 B8R1.18 CC1=NC(SC1C)C MCULE-6267428004 [0,1,0,0,0,0|3,0,0]=4 911 B8R1.18 CC1CC(=O)C(O1)C MCULE-9648127298 [0,1,0,0,0,0|2,0,0]=3 912 B8R1.18 CC1CC(=O)CN1C MCULE-3142275674 [0,1,0,0,0,0|2,0,0]=3 913 B8R1.18 CC1CC(=O)N(C1)C MCULE-2164356802 [0,1,0,0,0,0|2,0,0]=3 914 B8R1.18 CC1CC(=O)N(N1)C MCULE-3951114099 [0,1,0,0,0,0|3,0,0]=4 915 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,1,0,0,0,0|2,0,1]=4 916 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,1,0,0,0,0|1,0,1]=3 917 B8R1.18 CC1CC(=O)OC1C MCULE-3906254123 [0,1,0,0,0,0|0,0,0]=1 918 B8R1.18 CC1CC(=O)OC1O MCULE-7140241012 [0,1,0,0,0,0|1,0,0]=2 919 B8R1.18 CC1CC(C(=O)O1)Br MCULE-3628819780 [0,1,0,0,0,0|0,0,0]=1 920 B8R1.18 CC1CC(C(=O)O1)N MCULE-4414809681 [0,1,0,0,0,0|0,0,0]=1 921 B8R1.18 CC1CC(C(=O)O1)N MCULE-7247771680 [0,1,0,0,0,0|0,0,0]=1 922 B8R1.18 CC1CC(C(O1)C)N MCULE-3274169856 [0,1,0,0,0,0|1,0,1]=3 923 B8R1.18 CC1CC(C(O1)C)N MCULE-9455862703 [0,1,0,0,0,0|1,0,1]=3 924 B8R1.18 CC1CC(C(O1)C)S MCULE-4786793091 [0,1,0,0,0,0|1,0,1]=3 925 B8R1.18 CC1CN(CC1=O)C MCULE-3780339739 [0,1,0,0,0,0|2,0,0]=3 926 B8R1.18 CC1CN(CC1N)C MCULE-4537736727 [0,1,0,0,0,0|3,0,0]=4 927 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,1,0,0,0,0|1,0,1]=3 928 B8R1.18 CC1NC(=O)CC1O MCULE-6370955032 [0,1,0,0,0,0|1,0,0]=2 929 B8R1.18 CC1NC(=O)NC1=O MCULE-4619149186 [0,1,0,0,0,0|2,0,1]=4 930 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,1,0,0,0,0|2,0,1]=4 931 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,1,0,0,0,0|2,0,1]=4 932 B8R1.18 CC1NC(=O)OC1C MCULE-5204749893 [0,1,0,0,0,0|1,0,0]=2 933 B8R1.18 CC1OC(=O)C=C1O MCULE-1494473960 [0,1,0,0,0,0|0,0,2]=3 934 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,1,0,0,0,0|1,0,1]=3 935 B8R1.18 CC1OC(=O)OC1C MCULE-1302025126 [0,1,0,0,0,0|1,0,0]=2 936 B8R1.18 CC1OS(=O)OC1C MCULE-8578188591 [0,1,0,0,0,0|2,0,0]=3 937 B8R1.18 CC1SC(=O)NC1=O MCULE-9249450232 [0,1,0,0,0,0|1,1,1]=4 938 B8R1.18 CN1CC(=O)CC1=O MCULE-9941627549 [0,1,0,0,0,0|2,0,1]=4 939 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [0,1,0,0,0,0|2,0,1]=4 940 B8R1.18 CN1CC(CC1=O)I MCULE-4945824576 [0,1,0,0,0,0|3,0,0]=4 941 B8R1.18 CN1CC(CC1=O)N MCULE-2463085778 [0,1,0,0,0,0|3,0,0]=4 942 B8R1.18 CN1CC(CC1=O)N MCULE-2958084133 [0,1,0,0,0,0|3,0,0]=4 943 B8R1.18 CN1CC(CC1=O)O MCULE-3900359646 [0,1,0,0,0,0|3,0,0]=4 944 B8R1.18 CN1C[C@@H](CC1=O)N MCULE-5898871508 [0,1,0,0,0,0|3,0,0]=4 945 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-6983684031 [0,1,0,0,0,0|3,0,0]=4 946 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-9036883490 [0,1,0,0,0,0|3,0,0]=4 947 B8R1.18 CN1C[C@H](CC1=O)N MCULE-6260844558 [0,1,0,0,0,0|3,0,0]=4 948 B8R1.18 CN1C[C@H](CC1=O)N MCULE-9464195407 [0,1,0,0,0,0|3,0,0]=4 949 B8R1.18 CN1C[C@H](CC1=O)O MCULE-1129246553 [0,1,0,0,0,0|3,0,0]=4 950 B8R1.18 CN1C[C@H](CC1=O)O MCULE-3762455862 [0,1,0,0,0,0|3,0,0]=4 951 B8R1.18 CN1OC(=O)C=C1N MCULE-3196224067 [0,1,0,0,0,0|1,0,2]=4 952 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,1,0,0,0,0|2,0,1]=4 953 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O MCULE-5647492108 [0,1,0,0,0,0|1,0,0]=2 954 B8R1.18 C[C@@H]1NC(=O)NC1=O MCULE-1126054848 [0,1,0,0,0,0|2,0,1]=4 955 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,1,0,0,0,0|2,0,1]=4 956 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,1,0,0,0,0|2,0,1]=4 957 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,1,0,0,0,0|1,0,1]=3 958 B8R1.18 C[C@H]1CC(=O)O[C@H]1C MCULE-7756599719 [0,1,0,0,0,0|0,0,0]=1 959 B8R1.18 C[C@H]1NC(=O)NC1=O MCULE-5443325319 [0,1,0,0,0,0|2,0,1]=4 960 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,1,0,0,0,0|2,0,1]=4 961 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,1,0,0,0,0|2,0,1]=4 962 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,1,0,0,0,0|2,0,1]=4 963 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,1,0,0,0,0|2,0,1]=4 964 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,1,0,0,0,0|1,0,1]=3 965 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,1,0,0,0,0|1,0,1]=3 966 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,1,0,0,0,0|2,0,1]=4 967 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,1,0,0,0,0|2,0,1]=4 968 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,1,0,0,0,0|1,0,1]=3 969 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,1,0,0,0,0|1,0,1]=3 970 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,1,0,0,0,0|1,0,1]=3 971 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,1,0,0,0,0|1,0,1]=3 972 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,1,0,0,0,0|2,0,1]=4 973 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,1,0,0,0,0|2,0,1]=4 974 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,1,0,0,0,0|1,0,1]=3 975 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,1,0,0,0,0|1,0,1]=3 976 B8R1.18 O=C1C=C(C(O1)O)Cl MCULE-9764142144 [0,1,0,0,0,0|1,0,2]=4 977 B8R1.18 O=C1CC(=C(O1)Br)O MCULE-8632709834 [0,1,0,0,0,0|1,0,2]=4 978 B8R1.18 O=C1NC(C(N1)O)O MCULE-4925329931 [0,1,0,0,0,0|3,0,0]=4 979 B8R1.18 O=C1OC(C(O1)Cl)Cl MCULE-2346794223 [0,1,0,0,0,0|2,0,0]=3 980 B8R1.18 O=C1O[C@@H]([C@H](O1)F)F MCULE-7614704509 [0,1,0,0,0,0|2,0,0]=3 981 B8R1.50 CC1=C(C(=O)CC1)Br MCULE-4093496442 [0,1,0,0,0,0|1,0,1]=3 982 B8R1.50 CC1=C(C(=O)CC1)C MCULE-6370073595 [0,1,0,0,0,0|1,0,1]=3 983 B8R1.50 CC1=C(C(=O)CC1)O MCULE-2968247012 [0,1,0,0,0,0|1,0,1]=3 984 B8R1.50 CC1=C(C(=O)CC1)O MCULE-9147894168 [0,1,0,0,0,0|1,0,1]=3 985 B8R1.50 CC1=C(C(=O)CO1)O MCULE-9541217217 [0,1,0,0,0,0|2,0,1]=4 986 B8R1.50 CC1=C(C(=O)NC1)C MCULE-4444366984 [0,1,0,0,0,0|2,0,1]=4 987 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [0,1,0,0,0,0|2,0,1]=4 988 B8R1.50 CC1=C(C(=O)SC1)O MCULE-2081484623 [0,1,0,0,0,0|2,0,1]=4 989 B8R1.50 CC1=C(CCC1=O)O MCULE-6367252690 [0,1,0,0,0,0|2,0,1]=4 990 B8R1.50 CC1=C(N(CC1)C)Cl MCULE-2584612545 [0,1,0,0,0,0|3,0,0]=4 991 B8R1.50 CC1C(=O)CCC1=O MCULE-4418458735 [0,1,0,0,0,0|2,0,1]=4 992 B8R1.50 CC1C(=O)CCN1C MCULE-8191851293 [0,1,0,0,0,0|2,0,0]=3 993 B8R1.50 CC1CCC(=O)C1=O MCULE-7649396652 [0,1,0,0,0,0|1,0,0]=2 994 B8R1.50 CC1CCC(=O)N1C MCULE-7405072604 [0,1,0,0,0,0|1,0,0]=2 995 B8R1.50 CC1CCC(C1=O)C MCULE-1473375660 [0,1,0,0,0,0|2,0,1]=4 996 B8R1.50 CC1CCC(C1N)C MCULE-5534270110 [0,1,0,0,0,0|2,0,1]=4 997 B8R1.50 CC1CCC(C1N)C MCULE-9569539393 [0,1,0,0,0,0|2,0,1]=4 998 B8R1.50 CC1CCC(C1O)O MCULE-3292232581 [0,1,0,0,0,0|1,0,2]=4 999 B8R1.50 CC1CCN(C1=O)C MCULE-1499213360 [0,1,0,0,0,0|3,0,0]=4 1000 B8R1.50 CC1CNC(=O)C1C MCULE-7439537346 [0,1,0,0,0,0|2,0,0]=3 1001 B8R1.50 CC1OCC(=O)C1C MCULE-5834923125 [0,1,0,0,0,0|2,0,0]=3 1002 B8R1.50 CN1C(=O)CCC1=O MCULE-6726005566 [0,1,0,0,0,0|2,0,1]=4 1003 B8R1.50 CN1C(=O)CCC1O MCULE-1070053575 [0,1,0,0,0,0|2,0,0]=3 1004 B8R1.50 CN1CCC(=O)C1=O MCULE-7541521172 [0,1,0,0,0,0|2,0,0]=3 1005 B8R1.50 NN1C(=O)CCC1=O MCULE-4432056181 [0,1,0,0,0,0|2,0,1]=4 1006 B8R1.50 NN1C(=O)CCC1=O MCULE-8224510852 [0,1,0,0,0,0|2,0,1]=4 1007 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O MCULE-6840872048 [0,1,0,0,0,0|3,0,0]=4 1008 B8R1.50 O=C1CCC(=C1F)O MCULE-4719137849 [0,1,0,0,0,0|2,0,1]=4 1009 B8R1.50 O=C1CCC(=O)C1Br MCULE-7463233898 [0,1,0,0,0,0|2,0,1]=4 1010 B8R1.50 O=C1CCC(=O)C1Cl MCULE-9440848782 [0,1,0,0,0,0|2,0,1]=4 1011 B8R1.50 O=C1CCC(=O)N1Br MCULE-6561724377 [0,1,0,0,0,0|2,0,1]=4 1012 B8R1.50 O=C1CCC(=O)N1Cl MCULE-3093539402 [0,1,0,0,0,0|2,0,1]=4 1013 B8R1.50 O=C1CCC(=O)N1I MCULE-8261967194 [0,1,0,0,0,0|2,0,1]=4 1014 B8R1.50 O=C1CCC(=O)N1O MCULE-5478278340 [0,1,0,0,0,0|2,0,1]=4 1015 B8R1.50 O=C1OCC(C1O)O MCULE-9766741798 [0,1,0,0,0,0|3,0,0]=4 1016 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-5447777048 [0,1,0,0,0,0|3,0,0]=4 1017 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-8691985034 [0,1,0,0,0,0|3,0,0]=4 1018 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O MCULE-8629460196 [0,1,0,0,0,0|3,0,0]=4 1019 B8R1.50 O=C1OC[C@@H]([C@H]1O)O MCULE-7303431003 [0,1,0,0,0,0|3,0,0]=4 1020 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-4704805755 [0,1,0,0,0,0|3,0,0]=4 1021 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7070309718 [0,1,0,0,0,0|3,0,0]=4 1022 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7824820688 [0,1,0,0,0,0|3,0,0]=4 1023 B8R1.51 C=C1COC(O1)(C)C MCULE-6956184576 [0,1,0,0,0,0|2,0,0]=3 1024 B8R1.51 CC1(C=CC(=O)C1)C MCULE-2691948275 [0,1,0,0,0,0|1,0,2]=4 1025 B8R1.51 CC1(CC(=O)CN1)C MCULE-3002354818 [0,1,0,0,0,0|2,0,0]=3 1026 B8R1.51 CC1(CC(=O)CO1)C MCULE-3813236339 [0,1,0,0,0,0|2,0,0]=3 1027 B8R1.51 CC1(CC(=O)CS1)C MCULE-8119393989 [0,1,0,0,0,0|2,0,0]=3 1028 B8R1.51 CC1(CC(=O)NN1)C MCULE-3949987986 [0,1,0,0,0,0|3,0,0]=4 1029 B8R1.51 CC1(CC(=O)NO1)C MCULE-2107007864 [0,1,0,0,0,0|3,0,0]=4 1030 B8R1.51 CC1(CCC(=O)C1)C MCULE-9814375082 [0,1,0,0,0,0|1,0,0]=2 1031 B8R1.51 CC1(CCC(=O)N1)C MCULE-2538104334 [0,1,0,0,0,0|1,0,0]=2 1032 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [0,1,0,0,0,0|0,0,0]=1 1033 B8R1.51 CC1(CCC(C1)Br)C MCULE-7648461165 [0,1,0,0,0,0|2,0,1]=4 1034 B8R1.51 CC1(CCC(C1)N)C MCULE-1462634969 [0,1,0,0,0,0|2,0,1]=4 1035 B8R1.51 CC1(CCC(C1)N)C MCULE-7718074169 [0,1,0,0,0,0|2,0,1]=4 1036 B8R1.51 CC1(CCC(C1)N)O MCULE-2662110764 [0,1,0,0,0,0|2,0,1]=4 1037 B8R1.51 CC1(CCC(C1)N)O MCULE-8421528641 [0,1,0,0,0,0|2,0,1]=4 1038 B8R1.51 CC1(CCC(C1)O)N MCULE-1629381772 [0,1,0,0,0,0|1,0,2]=4 1039 B8R1.51 CC1(CCC(O1)O)C MCULE-7092868347 [0,1,0,0,0,0|0,0,2]=3 1040 B8R1.51 CC1(CN=C(C1)N)C MCULE-2728105590 [0,1,0,0,0,0|3,0,0]=4 1041 B8R1.51 CC1(CN=C(C1)N)C MCULE-9014086278 [0,1,0,0,0,0|3,0,0]=4 1042 B8R1.51 CC1(CN=C(O1)N)C MCULE-6517199560 [0,1,0,0,0,0|2,0,0]=3 1043 B8R1.51 CC1(CNC(=O)C1)C MCULE-1184902754 [0,1,0,0,0,0|2,0,0]=3 1044 B8R1.51 CC1(CNC(=O)C1)O MCULE-3317128471 [0,1,0,0,0,0|2,0,0]=3 1045 B8R1.51 CC1(CNC(=O)N1)C MCULE-2885809296 [0,1,0,0,0,0|2,0,0]=3 1046 B8R1.51 CC1(CNC(=O)O1)C MCULE-9188826896 [0,1,0,0,0,0|1,0,0]=2 1047 B8R1.51 CC1(CNC(=S)N1)C MCULE-1571486648 [0,1,0,0,0,0|2,1,0]=4 1048 B8R1.51 CC1(COC(=N1)N)C MCULE-6966870092 [0,1,0,0,0,0|3,0,0]=4 1049 B8R1.51 CC1(COC(=O)C1)C MCULE-2810911497 [0,1,0,0,0,0|2,0,0]=3 1050 B8R1.51 CC1(COC(=O)N1)C MCULE-9709457440 [0,1,0,0,0,0|2,0,0]=3 1051 B8R1.51 CC1(COC(=S)N1)C MCULE-2461637364 [0,1,0,0,0,0|2,1,0]=4 1052 B8R1.51 CC1(CSC(=S)N1)C MCULE-9871352236 [0,1,0,0,0,0|2,1,0]=4 1053 B8R1.51 CC1(N=NC(=O)N1)C MCULE-9521585830 [0,1,0,0,0,0|3,0,0]=4 1054 B8R1.51 CC1(NCC(=O)N1)C MCULE-4375597060 [0,1,0,0,0,0|2,0,0]=3 1055 B8R1.51 CC1(OCC(=O)O1)C MCULE-5121540413 [0,1,0,0,0,0|1,0,0]=2 1056 B8R1.51 CC1=CS(=O)(=O)CC1 MCULE-6179781717 [0,1,0,0,0,0|2,0,1]=4 1057 B8R1.51 CC1=NC(CO1)(C)C MCULE-5229270650 [0,1,0,0,0,0|3,0,0]=4 1058 B8R1.51 CC1=NC(CS1)(C)C MCULE-4639517834 [0,1,0,0,0,0|3,0,0]=4 1059 B8R1.51 CC1CCC(C1)(C)O MCULE-5369529521 [0,1,0,0,0,0|1,0,2]=4 1060 B8R1.51 CC1CCC(N1)(C)C MCULE-3065789797 [0,1,0,0,0,0|2,0,1]=4 1061 B8R1.51 CC1CCC(N1)(C)C MCULE-6175622918 [0,1,0,0,0,0|2,0,1]=4 1062 B8R1.51 CC1CCS(=O)(=O)C1 MCULE-8205416735 [0,1,0,0,0,0|2,0,0]=3 1063 B8R1.51 CC1CCS(=O)(=O)N1 MCULE-7593233575 [0,1,0,0,0,0|2,0,0]=3 1064 B8R1.51 CC1CCS(=O)(=O)O1 MCULE-3194494728 [0,1,0,0,0,0|1,0,0]=2 1065 B8R1.51 CC1CNS(=O)(=O)C1 MCULE-2299608411 [0,1,0,0,0,0|3,0,0]=4 1066 B8R1.51 CC1COC(O1)(C)C MCULE-2118300632 [0,1,0,0,0,0|2,0,1]=4 1067 B8R1.51 CC1COS(=O)(=O)C1 MCULE-3208476537 [0,1,0,0,0,0|3,0,0]=4 1068 B8R1.51 CC1COS(=O)(=O)O1 MCULE-1582385826 [0,1,0,0,0,0|2,0,0]=3 1069 B8R1.51 CN1CCC(C1)(C)C MCULE-4501256940 [0,1,0,0,0,0|3,0,0]=4 1070 B8R1.51 CN1CCC(C1)(C)N MCULE-2137989070 [0,1,0,0,0,0|3,0,0]=4 1071 B8R1.51 CN1CCC(C1)(C)N MCULE-6642743142 [0,1,0,0,0,0|3,0,0]=4 1072 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,1,0,0,0,0|1,0,0]=2 1073 B8R1.51 C[C@@H]1COS(=O)(=O)O1 MCULE-8592617135 [0,1,0,0,0,0|2,0,0]=3 1074 B8R1.51 C[C@@H]1COS(=O)(=O)O1 MCULE-8834088750 [0,1,0,0,0,0|2,0,0]=3 1075 B8R1.51 C[C@H]1COS(=O)(=O)O1 MCULE-3969026002 [0,1,0,0,0,0|2,0,0]=3 1076 B8R1.51 C[C@H]1COS(=O)(=O)O1 MCULE-5192877040 [0,1,0,0,0,0|2,0,0]=3 1077 B8R1.51 C[C@]1(CC[C@@H](C1)N)O MCULE-4320731186 [0,1,0,0,0,0|2,0,1]=4 1078 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-3664794949 [0,1,0,0,0,0|3,0,0]=4 1079 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-4987844102 [0,1,0,0,0,0|3,0,0]=4 1080 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-6173061448 [0,1,0,0,0,0|3,0,0]=4 1081 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-8024346240 [0,1,0,0,0,0|3,0,0]=4 1082 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-5491077502 [0,1,0,0,0,0|3,0,0]=4 1083 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-6127452891 [0,1,0,0,0,0|3,0,0]=4 1084 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-8245544049 [0,1,0,0,0,0|3,0,0]=4 1085 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-8690512997 [0,1,0,0,0,0|3,0,0]=4 1086 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-2755321215 [0,1,0,0,0,0|3,0,0]=4 1087 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-3468273378 [0,1,0,0,0,0|3,0,0]=4 1088 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-7343668152 [0,1,0,0,0,0|3,0,0]=4 1089 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-9897703297 [0,1,0,0,0,0|3,0,0]=4 1090 B8R1.51 O=C1CC(CN1)(F)F MCULE-5899183897 [0,1,0,0,0,0|3,0,0]=4 1091 B8R1.51 O=C1CCS(=O)(=O)C1 MCULE-8153139552 [0,1,0,0,0,0|3,0,0]=4 1092 B8R1.51 O=C1CCS(=O)(=O)N1 MCULE-4505524753 [0,1,0,0,0,0|3,0,0]=4 1093 B8R1.51 O=C1CCS(=O)(=O)O1 MCULE-1696670151 [0,1,0,0,0,0|2,0,0]=3 1094 B8R1.51 O=S1(=O)CCC(C1)Br MCULE-7705924050 [0,1,0,0,0,0|3,0,0]=4 1095 B8R1.51 O=S1(=O)CCC(C1)Cl MCULE-6623260684 [0,1,0,0,0,0|3,0,0]=4 1096 B8R1.51 O=S1(=O)CCC(C1)I MCULE-8157194528 [0,1,0,0,0,0|3,0,0]=4 1097 B8R1.51 O=S1(=O)CCC(C1)O MCULE-3784616685 [0,1,0,0,0,0|3,0,0]=4 1098 B8R1.51 O=S1(=O)CCC(C1)S MCULE-5583339693 [0,1,0,0,0,0|3,0,0]=4 1099 B8R1.51 O=S1(=O)CCC(O1)F MCULE-7853949290 [0,1,0,0,0,0|2,0,0]=3 1100 B8R1.51 [NH3+]C1CCS(=O)(=O)C1 MCULE-9144849902 [0,1,0,0,0,0|3,0,0]=4 1101 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [0,0,1,0,0,0|1,0,2]=4 1102 B6R0.1 C#CC(=O)NCC MCULE-3703208943 [0,0,1,0,0,0|1,0,2]=4 1103 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [0,0,1,0,0,0|0,0,2]=3 1104 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [0,0,1,0,0,0|1,0,1]=3 1105 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [0,0,1,0,0,0|2,0,1]=4 1106 B6R0.1 C=C(CC)CCO MCULE-5317656776 [0,0,1,0,0,0|3,0,0]=4 1107 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [0,0,1,0,0,0|1,0,2]=4 1108 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [0,0,1,0,0,0|1,0,2]=4 1109 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [0,0,1,0,0,0|0,0,2]=3 1110 B6R0.1 C=CCC(C)CC MCULE-8680856865 [0,0,1,0,0,0|2,0,0]=3 1111 B6R0.1 C=CCC(C)CO MCULE-9174943108 [0,0,1,0,0,0|3,0,0]=4 1112 B6R0.1 C=CCC(N)CC MCULE-2309097248 [0,0,1,0,0,0|3,0,0]=4 1113 B6R0.1 C=CCC(N)CC MCULE-8356954197 [0,0,1,0,0,0|3,0,0]=4 1114 B6R0.1 C=CCC(O)CC MCULE-1497539816 [0,0,1,0,0,0|3,0,0]=4 1115 B6R0.1 C=CC[C@@H](O)CC MCULE-3259102701 [0,0,1,0,0,0|3,0,0]=4 1116 B6R0.1 C=CC[C@H](O)CC MCULE-6527977219 [0,0,1,0,0,0|3,0,0]=4 1117 B6R0.1 C=COC(=O)CC MCULE-7662621547 [0,0,1,0,0,0|0,0,2]=3 1118 B6R0.1 C=COC(=O)CCl MCULE-7675766105 [0,0,1,0,0,0|1,0,2]=4 1119 B6R0.1 CC#CC(=O)OC MCULE-6108678475 [0,0,1,0,0,0|2,0,1]=4 1120 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [0,0,1,0,0,0|1,0,1]=3 1121 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [0,0,1,0,0,0|2,0,1]=4 1122 B6R0.1 CCC(=CCO)C MCULE-5264054153 [0,0,1,0,0,0|3,0,0]=4 1123 B6R0.1 CCC(=O)CC#N MCULE-6150629588 [0,0,1,0,0,0|2,0,1]=4 1124 B6R0.1 CCC(=O)CNC MCULE-3030105640 [0,0,1,0,0,0|2,0,0]=3 1125 B6R0.1 CCC(=O)CNC MCULE-6945295017 [0,0,1,0,0,0|2,0,0]=3 1126 B6R0.1 CCC(=O)COC MCULE-1087802011 [0,0,1,0,0,0|2,0,0]=3 1127 B6R0.1 CCC(=O)CSC MCULE-3230433182 [0,0,1,0,0,0|2,0,0]=3 1128 B6R0.1 CCC(=O)NOC MCULE-4440074406 [0,0,1,0,0,0|2,0,0]=3 1129 B6R0.1 CCC(=O)OCCl MCULE-6975707373 [0,0,1,0,0,0|1,0,0]=2 1130 B6R0.1 CCC(C)C=NO MCULE-2829500970 [0,0,1,0,0,0|2,0,1]=4 1131 B6R0.1 CCC(C)CC#N MCULE-8784266918 [0,0,1,0,0,0|2,0,1]=4 1132 B6R0.1 CCC(C)CC=O MCULE-9143756592 [0,0,1,0,0,0|1,0,0]=2 1133 B6R0.1 CCC(C)CCBr MCULE-6033010731 [0,0,1,0,0,0|2,0,1]=4 1134 B6R0.1 CCC(C)CCCl MCULE-2069721626 [0,0,1,0,0,0|2,0,1]=4 1135 B6R0.1 CCC(C)CCN MCULE-4140800594 [0,0,1,0,0,0|2,0,1]=4 1136 B6R0.1 CCC(C)CCN MCULE-5509248218 [0,0,1,0,0,0|2,0,1]=4 1137 B6R0.1 CCC(C)CCO MCULE-6482427735 [0,0,1,0,0,0|1,0,2]=4 1138 B6R0.1 CCC(C)CNC MCULE-1998406301 [0,0,1,0,0,0|3,0,0]=4 1139 B6R0.1 CCC(C)CNC MCULE-5957910094 [0,0,1,0,0,0|3,0,0]=4 1140 B6R0.1 CCC(C)CON MCULE-7033012303 [0,0,1,0,0,0|3,0,0]=4 1141 B6R0.1 CCC(C)N=C=O MCULE-4771945289 [0,0,1,0,0,0|1,0,1]=3 1142 B6R0.1 CCC(C)N=C=S MCULE-7411656228 [0,0,1,0,0,0|1,1,1]=4 1143 B6R0.1 CCC(C)NC=O MCULE-2197007756 [0,0,1,0,0,0|1,0,0]=2 1144 B6R0.1 CCC(C)OC=O MCULE-9361787208 [0,0,1,0,0,0|0,0,0]=1 1145 B6R0.1 CCC(C)SC#N MCULE-5870963705 [0,0,1,0,0,0|1,1,1]=4 1146 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [0,0,1,0,0,0|2,0,0]=3 1147 B6R0.1 CCCC(=O)CC MCULE-7121523805 [0,0,1,0,0,0|1,0,0]=2 1148 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [0,0,1,0,0,0|2,0,0]=3 1149 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,0,1,0,0,0|2,0,0]=3 1150 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,0,1,0,0,0|2,0,0]=3 1151 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,0,1,0,0,0|2,0,0]=3 1152 B6R0.1 CCCC(=O)NC MCULE-5770149071 [0,0,1,0,0,0|2,0,0]=3 1153 B6R0.1 CCCC(=O)NN MCULE-3660167295 [0,0,1,0,0,0|3,0,0]=4 1154 B6R0.1 CCCC(=O)NO MCULE-8710375368 [0,0,1,0,0,0|3,0,0]=4 1155 B6R0.1 CCCC(=O)OC MCULE-1092030267 [0,0,1,0,0,0|2,0,0]=3 1156 B6R0.1 CCCC(=O)SC MCULE-1490654381 [0,0,1,0,0,0|2,0,0]=3 1157 B6R0.1 CCCC(=S)OC MCULE-8125476093 [0,0,1,0,0,0|2,1,0]=4 1158 B6R0.1 CCCC(Br)CC MCULE-9116433502 [0,0,1,0,0,0|2,0,1]=4 1159 B6R0.1 CCCC(C)CC MCULE-7082933967 [0,0,1,0,0,0|2,0,1]=4 1160 B6R0.1 CCCC(Cl)CC MCULE-1581617529 [0,0,1,0,0,0|2,0,1]=4 1161 B6R0.1 CCCC(N)CC MCULE-5349906741 [0,0,1,0,0,0|2,0,1]=4 1162 B6R0.1 CCCC(N)CC MCULE-7172418373 [0,0,1,0,0,0|2,0,1]=4 1163 B6R0.1 CCCC(O)CC MCULE-9504041935 [0,0,1,0,0,0|1,0,2]=4 1164 B6R0.1 CCCC(S)CC MCULE-1322481338 [0,0,1,0,0,0|1,1,1]=4 1165 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [0,0,1,0,0,0|1,0,2]=4 1166 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [0,0,1,0,0,0|1,0,2]=4 1167 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [0,0,1,0,0,0|2,0,0]=3 1168 B6R0.1 CCNC(=O)CC MCULE-8820594723 [0,0,1,0,0,0|1,0,0]=2 1169 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [0,0,1,0,0,0|2,0,0]=3 1170 B6R0.1 CCNC(=O)CN MCULE-1913543460 [0,0,1,0,0,0|2,0,0]=3 1171 B6R0.1 CCNC(=O)CN MCULE-5473845751 [0,0,1,0,0,0|2,0,0]=3 1172 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,0,1,0,0,0|2,0,0]=3 1173 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,0,1,0,0,0|2,0,0]=3 1174 B6R0.1 CCNC(=O)NN MCULE-9055200574 [0,0,1,0,0,0|3,0,0]=4 1175 B6R0.1 CCNC(=O)NO MCULE-3264850022 [0,0,1,0,0,0|3,0,0]=4 1176 B6R0.1 CCNC(=O)OC MCULE-7110705188 [0,0,1,0,0,0|2,0,0]=3 1177 B6R0.1 CCNC(C)CC MCULE-1017617081 [0,0,1,0,0,0|2,0,1]=4 1178 B6R0.1 CCNC(C)CC MCULE-2691229640 [0,0,1,0,0,0|2,0,1]=4 1179 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [0,0,1,0,0,0|3,0,0]=4 1180 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [0,0,1,0,0,0|3,0,0]=4 1181 B6R0.1 CCOC(=N)CC MCULE-4645506860 [0,0,1,0,0,0|1,0,0]=2 1182 B6R0.1 CCOC(=N)CC MCULE-9526837631 [0,0,1,0,0,0|1,0,0]=2 1183 B6R0.1 CCOC(=N)CCl MCULE-6291047852 [0,0,1,0,0,0|2,0,0]=3 1184 B6R0.1 CCOC(=N)CCl MCULE-9207251975 [0,0,1,0,0,0|2,0,0]=3 1185 B6R0.1 CCOC(=NO)C MCULE-6964305821 [0,0,1,0,0,0|3,0,0]=4 1186 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [0,0,1,0,0,0|1,0,1]=3 1187 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [0,0,1,0,0,0|1,0,1]=3 1188 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [0,0,1,0,0,0|1,0,0]=2 1189 B6R0.1 CCOC(=O)CC MCULE-1639864693 [0,0,1,0,0,0|0,0,0]=1 1190 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [0,0,1,0,0,0|1,0,0]=2 1191 B6R0.1 CCOC(=O)CF MCULE-1926097423 [0,0,1,0,0,0|1,0,0]=2 1192 B6R0.1 CCOC(=O)CI MCULE-9898762324 [0,0,1,0,0,0|1,0,0]=2 1193 B6R0.1 CCOC(=O)CN MCULE-2185173056 [0,0,1,0,0,0|1,0,0]=2 1194 B6R0.1 CCOC(=O)CN MCULE-2628607025 [0,0,1,0,0,0|1,0,0]=2 1195 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,0,1,0,0,0|1,0,0]=2 1196 B6R0.1 CCOC(=O)CS MCULE-3354026239 [0,0,1,0,0,0|1,0,0]=2 1197 B6R0.1 CCOC(=O)NC MCULE-5506841198 [0,0,1,0,0,0|1,0,0]=2 1198 B6R0.1 CCOC(=O)NN MCULE-9872948119 [0,0,1,0,0,0|2,0,0]=3 1199 B6R0.1 CCOC(=O)NO MCULE-4701193610 [0,0,1,0,0,0|2,0,0]=3 1200 B6R0.1 CCOC(=O)OC MCULE-1185162684 [0,0,1,0,0,0|1,0,0]=2 1201 B6R0.1 CCOC(=S)SC MCULE-6959447720 [0,0,1,0,0,0|1,1,0]=3 1202 B6R0.1 CCOC(C)CC MCULE-5049998907 [0,0,1,0,0,0|1,0,1]=3 1203 B6R0.1 CCOC(C)CN MCULE-2322112215 [0,0,1,0,0,0|2,0,1]=4 1204 B6R0.1 CCOC(C)CN MCULE-7307949125 [0,0,1,0,0,0|2,0,1]=4 1205 B6R0.1 CCOC(C)CO MCULE-1592146913 [0,0,1,0,0,0|2,0,1]=4 1206 B6R0.1 CCOC(Cl)CCl MCULE-2309448343 [0,0,1,0,0,0|2,0,1]=4 1207 B6R0.1 CCOS(=O)CC MCULE-4858180441 [0,0,1,0,0,0|1,0,0]=2 1208 B6R0.1 CCS(=O)CCCl MCULE-1910591721 [0,0,1,0,0,0|3,0,0]=4 1209 B6R0.1 CCS(=O)CCN MCULE-7201812983 [0,0,1,0,0,0|3,0,0]=4 1210 B6R0.1 CCS(=O)CCN MCULE-7831905163 [0,0,1,0,0,0|3,0,0]=4 1211 B6R0.1 CCS(=O)CCO MCULE-8290368918 [0,0,1,0,0,0|3,0,0]=4 1212 B6R0.1 CCSC(=O)CC MCULE-6361738004 [0,0,1,0,0,0|0,1,0]=2 1213 B6R0.1 CC[C@H](C)CCO MCULE-1190203828 [0,0,1,0,0,0|1,0,2]=4 1214 B6R0.1 CC[C@H](C)CCO MCULE-8460710173 [0,0,1,0,0,0|1,0,2]=4 1215 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [0,0,1,0,0,0|3,0,0]=4 1216 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [0,0,1,0,0,0|3,0,0]=4 1217 B6R0.1 CNC(=O)CCN MCULE-1374127264 [0,0,1,0,0,0|3,0,0]=4 1218 B6R0.1 CNC(=O)CCN MCULE-3948893656 [0,0,1,0,0,0|3,0,0]=4 1219 B6R0.1 CNC(=O)CCO MCULE-3222339741 [0,0,1,0,0,0|3,0,0]=4 1220 B6R0.1 CNC(=O)CCS MCULE-2385806944 [0,0,1,0,0,0|3,0,0]=4 1221 B6R0.1 CNCC(=O)NC MCULE-4579550577 [0,0,1,0,0,0|3,0,0]=4 1222 B6R0.1 CNCC(=O)NC MCULE-7833395637 [0,0,1,0,0,0|3,0,0]=4 1223 B6R0.1 CNCC(=O)OC MCULE-1667683926 [0,0,1,0,0,0|3,0,0]=4 1224 B6R0.1 CNCC(=O)OC MCULE-5530863658 [0,0,1,0,0,0|3,0,0]=4 1225 B6R0.1 CNNC(=O)OC MCULE-4763095719 [0,0,1,0,0,0|3,0,0]=4 1226 B6R0.1 COC(=O)CCBr MCULE-3565567444 [0,0,1,0,0,0|3,0,0]=4 1227 B6R0.1 COC(=O)CCCl MCULE-5034007224 [0,0,1,0,0,0|3,0,0]=4 1228 B6R0.1 COC(=O)CCI MCULE-5984806612 [0,0,1,0,0,0|3,0,0]=4 1229 B6R0.1 COC(=O)CCN MCULE-2306060188 [0,0,1,0,0,0|3,0,0]=4 1230 B6R0.1 COC(=O)CCN MCULE-8245275833 [0,0,1,0,0,0|3,0,0]=4 1231 B6R0.1 COC(=O)CCO MCULE-8538834260 [0,0,1,0,0,0|3,0,0]=4 1232 B6R0.1 COC(=O)CCS MCULE-1695345183 [0,0,1,0,0,0|3,0,0]=4 1233 B6R0.1 COC(=O)CSC MCULE-6735536033 [0,0,1,0,0,0|3,0,0]=4 1234 B6R0.1 COC(=O)OCCl MCULE-7856529986 [0,0,1,0,0,0|2,0,0]=3 1235 B6R0.1 COC(=O)OCF MCULE-4705008675 [0,0,1,0,0,0|2,0,0]=3 1236 B6R0.1 COC(=O)OCI MCULE-8692720175 [0,0,1,0,0,0|2,0,0]=3 1237 B6R0.1 COC(C)CC=O MCULE-7243333697 [0,0,1,0,0,0|2,0,0]=3 1238 B6R0.1 COCC(=O)CCl MCULE-7542636020 [0,0,1,0,0,0|3,0,0]=4 1239 B6R0.1 COCC(=O)OC MCULE-8337685268 [0,0,1,0,0,0|3,0,0]=4 1240 B6R0.1 CONC(=O)OC MCULE-9304532248 [0,0,1,0,0,0|3,0,0]=4 1241 B6R0.1 CSC(C)CC=O MCULE-9433914892 [0,0,1,0,0,0|2,0,0]=3 1242 B6R0.1 NCCC(=O)CN MCULE-3906468943 [0,0,1,0,0,0|3,0,0]=4 1243 B6R0.1 NCCC(=O)CN MCULE-9593243702 [0,0,1,0,0,0|3,0,0]=4 1244 B6R0.1 O=C(CCl)CCCl MCULE-6460902474 [0,0,1,0,0,0|3,0,0]=4 1245 B6R0.1 O=C(CCl)NCO MCULE-9960585064 [0,0,1,0,0,0|3,0,0]=4 1246 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [0,0,1,0,0,0|3,0,0]=4 1247 B6R0.2 C=C(C)C=C(C)C MCULE-1842732141 [0,0,1,0,0,0|2,0,1]=4 1248 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,0,1,0,0,0|1,0,2]=4 1249 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [0,0,1,0,0,0|2,0,0]=3 1250 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,0,1,0,0,0|3,0,0]=4 1251 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,0,1,0,0,0|3,0,0]=4 1252 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,0,1,0,0,0|0,0,2]=3 1253 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,0,1,0,0,0|2,0,1]=4 1254 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,0,1,0,0,0|2,0,1]=4 1255 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,1,0,0,0|2,0,1]=4 1256 B6R0.2 CC(=CC(C)C)C MCULE-5460531772 [0,0,1,0,0,0|2,0,0]=3 1257 B6R0.2 CC(=CC(C)O)C MCULE-5270694894 [0,0,1,0,0,0|3,0,0]=4 1258 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,1,0,0,0|2,0,1]=4 1259 B6R0.2 CC(=NC(C)C)C MCULE-4174313497 [0,0,1,0,0,0|2,0,0]=3 1260 B6R0.2 CC(=NN(C)C)C MCULE-6010928278 [0,0,1,0,0,0|3,0,0]=4 1261 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,0,1,0,0,0|2,0,1]=4 1262 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,0,1,0,0,0|2,0,1]=4 1263 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,0,1,0,0,0|2,0,1]=4 1264 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,0,1,0,0,0|2,0,1]=4 1265 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,0,1,0,0,0|1,0,1]=3 1266 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,0,1,0,0,0|2,0,1]=4 1267 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,0,1,0,0,0|2,0,1]=4 1268 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,0,1,0,0,0|2,0,1]=4 1269 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,1,0,0,0|2,0,1]=4 1270 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,0,1,0,0,0|1,0,0]=2 1271 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,0,1,0,0,0|2,0,0]=3 1272 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,0,1,0,0,0|2,0,0]=3 1273 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,0,1,0,0,0|2,0,0]=3 1274 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,0,1,0,0,0|2,0,0]=3 1275 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,0,1,0,0,0|2,0,0]=3 1276 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,0,1,0,0,0|2,0,0]=3 1277 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,1,0,0,0|2,0,1]=4 1278 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [0,0,1,0,0,0|1,0,0]=2 1279 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [0,0,1,0,0,0|2,0,0]=3 1280 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [0,0,1,0,0,0|2,0,0]=3 1281 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,0,1,0,0,0|1,0,1]=3 1282 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [0,0,1,0,0,0|1,0,0]=2 1283 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [0,0,1,0,0,0|0,0,0]=1 1284 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [0,0,1,0,0,0|1,0,0]=2 1285 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,0,1,0,0,0|1,1,1]=4 1286 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,0,1,0,0,0|2,0,1]=4 1287 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,0,1,0,0,0|2,0,1]=4 1288 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,0,1,0,0,0|3,0,0]=4 1289 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [0,0,1,0,0,0|3,0,0]=4 1290 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [0,0,1,0,0,0|3,0,0]=4 1291 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [0,0,1,0,0,0|3,0,0]=4 1292 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,0,1,0,0,0|2,0,0]=3 1293 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,0,1,0,0,0|2,0,0]=3 1294 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,0,1,0,0,0|2,0,0]=3 1295 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [0,0,1,0,0,0|2,1,0]=4 1296 B6R0.2 CC(C)CC(C)Br MCULE-1549882864 [0,0,1,0,0,0|2,0,1]=4 1297 B6R0.2 CC(C)CC(C)C MCULE-1646863110 [0,0,1,0,0,0|2,0,1]=4 1298 B6R0.2 CC(C)CC(C)I MCULE-6965017338 [0,0,1,0,0,0|2,0,1]=4 1299 B6R0.2 CC(C)CC(C)N MCULE-1144229692 [0,0,1,0,0,0|2,0,1]=4 1300 B6R0.2 CC(C)CC(C)N MCULE-5992377656 [0,0,1,0,0,0|2,0,1]=4 1301 B6R0.2 CC(C)CC(C)O MCULE-9223768698 [0,0,1,0,0,0|1,0,2]=4 1302 B6R0.2 CC(C)CN(=O)=O MCULE-1357840093 [0,0,1,0,0,0|3,0,0]=4 1303 B6R0.2 CC(C)CS(=O)[O-] MCULE-3716652382 [0,0,1,0,0,0|3,0,0]=4 1304 B6R0.2 CC(C)CS(=O)[O-] MCULE-7111094918 [0,0,1,0,0,0|3,0,0]=4 1305 B6R0.2 CC(C)C[C@@H](C)N MCULE-5902933285 [0,0,1,0,0,0|2,0,1]=4 1306 B6R0.2 CC(C)C[C@@H](C)N MCULE-7208228535 [0,0,1,0,0,0|2,0,1]=4 1307 B6R0.2 CC(C)C[C@@H](C)O MCULE-3150675602 [0,0,1,0,0,0|1,0,2]=4 1308 B6R0.2 CC(C)C[C@@H](C)O MCULE-4011042896 [0,0,1,0,0,0|1,0,2]=4 1309 B6R0.2 CC(C)NC(=N)N MCULE-4913172476 [0,0,1,0,0,0|3,0,0]=4 1310 B6R0.2 CC(C)NC(=N)N MCULE-4959976198 [0,0,1,0,0,0|3,0,0]=4 1311 B6R0.2 CC(C)NC(=N)N MCULE-5602505573 [0,0,1,0,0,0|3,0,0]=4 1312 B6R0.2 CC(C)NC(=N)N MCULE-8448870710 [0,0,1,0,0,0|3,0,0]=4 1313 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,0,1,0,0,0|2,0,0]=3 1314 B6R0.2 CC(C)NC(=S)N MCULE-9243939729 [0,0,1,0,0,0|2,1,0]=4 1315 B6R0.2 CC(C)NC(C)C MCULE-4201618834 [0,0,1,0,0,0|2,0,1]=4 1316 B6R0.2 CC(C)NC(C)C MCULE-4622359369 [0,0,1,0,0,0|2,0,1]=4 1317 B6R0.2 CC(C)NC(C)C MCULE-6982639198 [0,0,1,0,0,0|2,0,1]=4 1318 B6R0.2 CC(C)NC(C)C MCULE-8645161809 [0,0,1,0,0,0|2,0,1]=4 1319 B6R0.2 CC(C)NC(C)C MCULE-9048109449 [0,0,1,0,0,0|2,0,1]=4 1320 B6R0.2 CC(C)OC(=N)N MCULE-3607061697 [0,0,1,0,0,0|2,0,0]=3 1321 B6R0.2 CC(C)OC(=N)N MCULE-6662387960 [0,0,1,0,0,0|2,0,0]=3 1322 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [0,0,1,0,0,0|1,0,0]=2 1323 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [0,0,1,0,0,0|1,0,0]=2 1324 B6R0.2 CC(C)OC(=S)[S-] MCULE-2902588510 [0,0,1,0,0,0|1,1,0]=3 1325 B6R0.2 CC(C)OC(=S)[S-] MCULE-9078070002 [0,0,1,0,0,0|1,1,0]=3 1326 B6R0.2 CC(C)OC(=S)[S-] MCULE-9949285618 [0,0,1,0,0,0|1,1,0]=3 1327 B6R0.2 CC(C)OC(C)C MCULE-2250230766 [0,0,1,0,0,0|1,0,1]=3 1328 B6R0.2 CC(C)ON(=O)=O MCULE-8820340461 [0,0,1,0,0,0|2,0,0]=3 1329 B6R0.2 CC(C)PC(C)C MCULE-7216494966 [0,0,1,0,0,0|2,0,1]=4 1330 B6R0.2 CC(C)SC(=N)N MCULE-1974434339 [0,0,1,0,0,0|2,1,0]=4 1331 B6R0.2 CC(C)SC(=N)N MCULE-3570639733 [0,0,1,0,0,0|2,1,0]=4 1332 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [0,0,1,0,0,0|1,1,0]=3 1333 B6R0.2 CC(C)SC(C)C MCULE-4851334832 [0,0,1,0,0,0|1,1,1]=4 1334 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,0,1,0,0,0|3,0,0]=4 1335 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,0,1,0,0,0|3,0,0]=4 1336 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [0,0,1,0,0,0|2,0,0]=3 1337 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,0,1,0,0,0|3,0,0]=4 1338 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,0,1,0,0,0|3,0,0]=4 1339 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,0,1,0,0,0|3,0,0]=4 1340 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,0,1,0,0,0|3,0,0]=4 1341 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,0,1,0,0,0|3,0,0]=4 1342 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,0,1,0,0,0|3,0,0]=4 1343 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,0,1,0,0,0|3,0,0]=4 1344 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [0,0,1,0,0,0|3,0,0]=4 1345 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,0,1,0,0,0|3,0,0]=4 1346 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,1,0,0,0|3,0,0]=4 1347 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,1,0,0,0|3,0,0]=4 1348 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,0,1,0,0,0|3,0,0]=4 1349 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,0,1,0,0,0|3,0,0]=4 1350 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [0,0,1,0,0,0|3,0,0]=4 1351 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [0,0,1,0,0,0|3,0,0]=4 1352 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [0,0,1,0,0,0|3,0,0]=4 1353 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,0,1,0,0,0|3,0,0]=4 1354 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,0,1,0,0,0|3,0,0]=4 1355 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,0,1,0,0,0|3,0,0]=4 1356 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [0,0,1,0,0,0|3,0,0]=4 1357 B6R0.2 CN(C)NC(=O)N MCULE-4462686977 [0,0,1,0,0,0|3,0,0]=4 1358 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,0,1,0,0,0|3,0,0]=4 1359 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,0,1,0,0,0|3,0,0]=4 1360 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,0,1,0,0,0|3,0,0]=4 1361 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,0,1,0,0,0|3,0,0]=4 1362 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,1,0,0,0|3,0,0]=4 1363 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,1,0,0,0|3,0,0]=4 1364 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,0,1,0,0,0|3,0,0]=4 1365 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,0,1,0,0,0|3,0,0]=4 1366 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,0,1,0,0,0|3,0,0]=4 1367 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,0,1,0,0,0|3,0,0]=4 1368 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,0,1,0,0,0|3,0,0]=4 1369 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,0,1,0,0,0|3,0,0]=4 1370 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,0,1,0,0,0|3,0,0]=4 1371 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,0,1,0,0,0|3,0,0]=4 1372 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,1,0,0,0|3,0,0]=4 1373 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,1,0,0,0|3,0,0]=4 1374 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,0,1,0,0,0|3,0,0]=4 1375 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,0,1,0,0,0|3,0,0]=4 1376 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [0,0,1,0,0,0|3,0,0]=4 1377 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [0,0,1,0,0,0|3,0,0]=4 1378 B6R0.2 P(=O)([O-])OC(C)C MCULE-5865480150 [0,0,1,0,0,0|2,0,0]=3 1379 B6R0.2 P(=O)([O-])OC(C)C MCULE-7393903455 [0,0,1,0,0,0|2,0,0]=3 1380 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [0,0,1,0,0,0|1,0,2]=4 1381 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [0,0,1,0,0,0|1,0,2]=4 1382 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [0,0,1,0,0,0|1,0,2]=4 1383 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [0,0,1,0,0,0|0,0,2]=3 1384 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [0,0,1,0,0,0|0,0,3]=4 1385 B6R0.4 C#CCCC(C)C MCULE-9613694830 [0,0,1,0,0,0|2,0,1]=4 1386 B6R0.4 C#CCCC(C)O MCULE-1476308263 [0,0,1,0,0,0|1,0,1]=3 1387 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [0,0,1,0,0,0|1,0,2]=4 1388 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [0,0,1,0,0,0|1,0,2]=4 1389 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [0,0,1,0,0,0|0,0,2]=3 1390 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [0,0,1,0,0,0|3,0,0]=4 1391 B6R0.4 C=C(C)CCCC MCULE-1010177756 [0,0,1,0,0,0|2,0,0]=3 1392 B6R0.4 C=C(C)CCCO MCULE-4629274490 [0,0,1,0,0,0|3,0,0]=4 1393 B6R0.4 C=C(C)CNCC MCULE-2237759977 [0,0,1,0,0,0|3,0,0]=4 1394 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [0,0,1,0,0,0|3,0,0]=4 1395 B6R0.4 C=C(F)CCCO MCULE-1688645687 [0,0,1,0,0,0|3,0,0]=4 1396 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [0,0,1,0,0,0|0,0,3]=4 1397 B6R0.4 C=CCCB(O)O MCULE-9431650735 [0,0,1,0,0,0|3,0,0]=4 1398 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [0,0,1,0,0,0|2,0,1]=4 1399 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [0,0,1,0,0,0|1,0,2]=4 1400 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [0,0,1,0,0,0|1,0,2]=4 1401 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [0,0,1,0,0,0|1,0,2]=4 1402 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [0,0,1,0,0,0|0,0,2]=3 1403 B6R0.4 C=CCCC(C)Br MCULE-5841356762 [0,0,1,0,0,0|2,0,0]=3 1404 B6R0.4 C=CCCC(C)C MCULE-7128249655 [0,0,1,0,0,0|2,0,0]=3 1405 B6R0.4 C=CCCC(C)O MCULE-3388106789 [0,0,1,0,0,0|1,0,0]=2 1406 B6R0.4 C=CCC[C@@H](C)O MCULE-1272820385 [0,0,1,0,0,0|1,0,0]=2 1407 B6R0.4 C=CCC[C@@H](C)O MCULE-8509867177 [0,0,1,0,0,0|1,0,0]=2 1408 B6R0.4 C=CCC[C@H](C)O MCULE-4371391667 [0,0,1,0,0,0|1,0,0]=2 1409 B6R0.4 C=CCNC(C)C MCULE-1450045891 [0,0,1,0,0,0|3,0,0]=4 1410 B6R0.4 C=CCNC(C)C MCULE-3261189096 [0,0,1,0,0,0|3,0,0]=4 1411 B6R0.4 C=CCNC(C)C MCULE-4894255968 [0,0,1,0,0,0|3,0,0]=4 1412 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [0,0,1,0,0,0|1,0,2]=4 1413 B6R0.4 C=COCC(C)C MCULE-7268141053 [0,0,1,0,0,0|3,0,0]=4 1414 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [0,0,1,0,0,0|0,0,2]=3 1415 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [0,0,1,0,0,0|2,0,1]=4 1416 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [0,0,1,0,0,0|0,0,2]=3 1417 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [0,0,1,0,0,0|2,0,0]=3 1418 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [0,0,1,0,0,0|2,0,0]=3 1419 B6R0.4 CC(=O)CCCO MCULE-1335342150 [0,0,1,0,0,0|2,0,0]=3 1420 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [0,0,1,0,0,0|3,0,0]=4 1421 B6R0.4 CC(=O)NCCN MCULE-2230084818 [0,0,1,0,0,0|3,0,0]=4 1422 B6R0.4 CC(=O)NCCO MCULE-5968518415 [0,0,1,0,0,0|3,0,0]=4 1423 B6R0.4 CC(=O)NCCS MCULE-3345813615 [0,0,1,0,0,0|3,0,0]=4 1424 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [0,0,1,0,0,0|3,0,0]=4 1425 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [0,0,1,0,0,0|3,0,0]=4 1426 B6R0.4 CC(=O)OCCN MCULE-4530529900 [0,0,1,0,0,0|3,0,0]=4 1427 B6R0.4 CC(=O)OCCN MCULE-6854340494 [0,0,1,0,0,0|3,0,0]=4 1428 B6R0.4 CC(=O)OCCO MCULE-1251660436 [0,0,1,0,0,0|3,0,0]=4 1429 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [0,0,1,0,0,0|3,0,0]=4 1430 B6R0.4 CC(=O)SCCN MCULE-3819903256 [0,0,1,0,0,0|3,0,0]=4 1431 B6R0.4 CC(=O)SCCN MCULE-4872130470 [0,0,1,0,0,0|3,0,0]=4 1432 B6R0.4 CC(=O)SCCN MCULE-7084821345 [0,0,1,0,0,0|3,0,0]=4 1433 B6R0.4 CC(Br)CCC#N MCULE-7424967519 [0,0,1,0,0,0|2,0,1]=4 1434 B6R0.4 CC(Br)CCCBr MCULE-8808667049 [0,0,1,0,0,0|2,0,1]=4 1435 B6R0.4 CC(C)C=CC=O MCULE-5034551905 [0,0,1,0,0,0|1,0,2]=4 1436 B6R0.4 CC(C)CCC#N MCULE-5503038837 [0,0,1,0,0,0|2,0,1]=4 1437 B6R0.4 CC(C)CCC=O MCULE-9664145623 [0,0,1,0,0,0|1,0,0]=2 1438 B6R0.4 CC(C)CCCBr MCULE-2045625937 [0,0,1,0,0,0|2,0,1]=4 1439 B6R0.4 CC(C)CCCCl MCULE-4841628592 [0,0,1,0,0,0|2,0,1]=4 1440 B6R0.4 CC(C)CCCI MCULE-4035616717 [0,0,1,0,0,0|2,0,1]=4 1441 B6R0.4 CC(C)CCCN MCULE-2232715676 [0,0,1,0,0,0|2,0,1]=4 1442 B6R0.4 CC(C)CCCN MCULE-7121372197 [0,0,1,0,0,0|2,0,1]=4 1443 B6R0.4 CC(C)CCCO MCULE-5797993948 [0,0,1,0,0,0|1,0,2]=4 1444 B6R0.4 CC(C)CCCS MCULE-8417191578 [0,0,1,0,0,0|1,1,1]=4 1445 B6R0.4 CC(C)CCNN MCULE-1163630283 [0,0,1,0,0,0|3,0,0]=4 1446 B6R0.4 CC(C)CCNN MCULE-2023326468 [0,0,1,0,0,0|3,0,0]=4 1447 B6R0.4 CC(C)CCNN MCULE-4572239737 [0,0,1,0,0,0|3,0,0]=4 1448 B6R0.4 CC(C)CCON MCULE-2653553816 [0,0,1,0,0,0|3,0,0]=4 1449 B6R0.4 CC(C)CCON MCULE-6468395078 [0,0,1,0,0,0|3,0,0]=4 1450 B6R0.4 CC(C)CN=C=O MCULE-3174970377 [0,0,1,0,0,0|2,0,1]=4 1451 B6R0.4 CC(C)CNC=O MCULE-2156996206 [0,0,1,0,0,0|2,0,0]=3 1452 B6R0.4 CC(C)COC=O MCULE-8234906771 [0,0,1,0,0,0|2,0,0]=3 1453 B6R0.4 CC(C)CON=O MCULE-8394966903 [0,0,1,0,0,0|3,0,0]=4 1454 B6R0.4 CC(C)OCC=O MCULE-5974054323 [0,0,1,0,0,0|2,0,0]=3 1455 B6R0.4 CC(C)SCC=O MCULE-3174965592 [0,0,1,0,0,0|2,0,0]=3 1456 B6R0.4 CC(Cl)CCC#N MCULE-2064174419 [0,0,1,0,0,0|2,0,1]=4 1457 B6R0.4 CC(Cl)CCCCl MCULE-9382073752 [0,0,1,0,0,0|2,0,1]=4 1458 B6R0.4 CC(Cl)CCCO MCULE-2554250532 [0,0,1,0,0,0|1,0,2]=4 1459 B6R0.4 CC(N)CCCN MCULE-4857113826 [0,0,1,0,0,0|2,0,1]=4 1460 B6R0.4 CC(N)CCCN MCULE-4899798325 [0,0,1,0,0,0|2,0,1]=4 1461 B6R0.4 CC(N)CCCO MCULE-6629535696 [0,0,1,0,0,0|1,0,2]=4 1462 B6R0.4 CC(O)CCC#N MCULE-6350143710 [0,0,1,0,0,0|1,0,1]=3 1463 B6R0.4 CC(O)CCCBr MCULE-5477662754 [0,0,1,0,0,0|1,0,1]=3 1464 B6R0.4 CC(O)CCCCl MCULE-6993728810 [0,0,1,0,0,0|1,0,1]=3 1465 B6R0.4 CC(O)CCCN MCULE-3754805134 [0,0,1,0,0,0|1,0,1]=3 1466 B6R0.4 CC(O)CCCO MCULE-6580326052 [0,0,1,0,0,0|0,0,2]=3 1467 B6R0.4 CC(O)CN=N#N MCULE-3020215858 [0,0,1,0,0,0|3,0,0]=4 1468 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [0,0,1,0,0,0|1,0,2]=4 1469 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [0,0,1,0,0,0|0,0,2]=3 1470 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [0,0,1,0,0,0|0,0,2]=3 1471 B6R0.4 CC=CCC(C)C MCULE-7145682250 [0,0,1,0,0,0|2,0,1]=4 1472 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [0,0,1,0,0,0|1,0,2]=4 1473 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [0,0,1,0,0,0|0,0,2]=3 1474 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [0,0,1,0,0,0|1,0,2]=4 1475 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [0,0,1,0,0,0|1,0,2]=4 1476 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [0,0,1,0,0,0|0,0,2]=3 1477 B6R0.4 CCCC=C(C)C MCULE-2110588796 [0,0,1,0,0,0|2,0,1]=4 1478 B6R0.4 CCCCB(O)O MCULE-9002672645 [0,0,1,0,0,0|1,0,1]=3 1479 B6R0.4 CCCCC(=N)N MCULE-3271993509 [0,0,1,0,0,0|2,0,0]=3 1480 B6R0.4 CCCCC(=N)N MCULE-3935017760 [0,0,1,0,0,0|2,0,0]=3 1481 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [0,0,1,0,0,0|1,0,0]=2 1482 B6R0.4 CCCCC(=O)C MCULE-3554390184 [0,0,1,0,0,0|1,0,0]=2 1483 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [0,0,1,0,0,0|1,0,0]=2 1484 B6R0.4 CCCCC(=O)N MCULE-6419483436 [0,0,1,0,0,0|1,0,0]=2 1485 B6R0.4 CCCCC(=O)O MCULE-2333640078 [0,0,1,0,0,0|0,0,0]=1 1486 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [0,0,1,0,0,0|0,0,1]=2 1487 B6R0.4 CCCCC(=S)N MCULE-8236760762 [0,0,1,0,0,0|1,1,0]=3 1488 B6R0.4 CCCCC(C)Br MCULE-3252474574 [0,0,1,0,0,0|2,0,1]=4 1489 B6R0.4 CCCCC(C)C MCULE-7568461039 [0,0,1,0,0,0|2,0,1]=4 1490 B6R0.4 CCCCC(C)Cl MCULE-4825682003 [0,0,1,0,0,0|2,0,1]=4 1491 B6R0.4 CCCCC(C)N MCULE-5349371506 [0,0,1,0,0,0|2,0,1]=4 1492 B6R0.4 CCCCC(C)N MCULE-6696490028 [0,0,1,0,0,0|2,0,1]=4 1493 B6R0.4 CCCCC(C)O MCULE-6558228722 [0,0,1,0,0,0|1,0,1]=3 1494 B6R0.4 CCCCC(C)S MCULE-4791681848 [0,0,1,0,0,0|1,1,1]=4 1495 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [0,0,1,0,0,0|1,0,1]=3 1496 B6R0.4 CCCCN(C)C MCULE-7202077639 [0,0,1,0,0,0|3,0,0]=4 1497 B6R0.4 CCCCN(C)N MCULE-7927159797 [0,0,1,0,0,0|3,0,0]=4 1498 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [0,0,1,0,0,0|1,0,1]=3 1499 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [0,0,1,0,0,0|1,0,1]=3 1500 B6R0.4 CCCC[C@@H](C)N MCULE-2673058676 [0,0,1,0,0,0|2,0,1]=4 1501 B6R0.4 CCCC[C@@H](C)N MCULE-7666196055 [0,0,1,0,0,0|2,0,1]=4 1502 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [0,0,1,0,0,0|1,0,1]=3 1503 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [0,0,1,0,0,0|1,0,1]=3 1504 B6R0.4 CCCC[C@H](C)N MCULE-6212068145 [0,0,1,0,0,0|2,0,1]=4 1505 B6R0.4 CCCC[C@H](C)N MCULE-7818513999 [0,0,1,0,0,0|2,0,1]=4 1506 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [0,0,1,0,0,0|1,0,1]=3 1507 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [0,0,1,0,0,0|1,0,1]=3 1508 B6R0.4 CCCNC(=N)N MCULE-6381843991 [0,0,1,0,0,0|3,0,0]=4 1509 B6R0.4 CCCNC(=N)N MCULE-8286774592 [0,0,1,0,0,0|3,0,0]=4 1510 B6R0.4 CCCNC(=O)C MCULE-5899703886 [0,0,1,0,0,0|2,0,0]=3 1511 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [0,0,1,0,0,0|2,0,0]=3 1512 B6R0.4 CCCNC(=O)N MCULE-8528844765 [0,0,1,0,0,0|2,0,0]=3 1513 B6R0.4 CCCNC(=S)N MCULE-3142756488 [0,0,1,0,0,0|2,1,0]=4 1514 B6R0.4 CCCOC(=O)C MCULE-7327042566 [0,0,1,0,0,0|2,0,0]=3 1515 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [0,0,1,0,0,0|2,0,0]=3 1516 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,0,1,0,0,0|2,0,0]=3 1517 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [0,0,1,0,0,0|1,2,0]=4 1518 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [0,0,1,0,0,0|1,2,0]=4 1519 B6R0.4 CCCON(=O)=O MCULE-3372904250 [0,0,1,0,0,0|2,0,1]=4 1520 B6R0.4 CCCSC(=N)N MCULE-4777505658 [0,0,1,0,0,0|3,0,0]=4 1521 B6R0.4 CCCSC(=N)N MCULE-8873393921 [0,0,1,0,0,0|3,0,0]=4 1522 B6R0.4 CCCSC(=O)C MCULE-4329646671 [0,0,1,0,0,0|2,0,0]=3 1523 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [0,0,1,0,0,0|2,0,0]=3 1524 B6R0.4 CCCSC(=[NH2+])N MCULE-6759252204 [0,0,1,0,0,0|3,0,0]=4 1525 B6R0.4 CCNCC(=O)C MCULE-5799315547 [0,0,1,0,0,0|2,0,0]=3 1526 B6R0.4 CCNCC(=O)C MCULE-9258294157 [0,0,1,0,0,0|2,0,0]=3 1527 B6R0.4 CCNCC(=O)N MCULE-1787248899 [0,0,1,0,0,0|2,0,0]=3 1528 B6R0.4 CCNCC(=O)N MCULE-3821700273 [0,0,1,0,0,0|2,0,0]=3 1529 B6R0.4 CCNCC(=O)O MCULE-5989480216 [0,0,1,0,0,0|1,0,0]=2 1530 B6R0.4 CCNCC(=O)O MCULE-8087863397 [0,0,1,0,0,0|1,0,0]=2 1531 B6R0.4 CCNCC(C)O MCULE-5078068369 [0,0,1,0,0,0|2,0,1]=4 1532 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [0,0,1,0,0,0|2,0,1]=4 1533 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [0,0,1,0,0,0|2,0,1]=4 1534 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [0,0,1,0,0,0|2,0,1]=4 1535 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [0,0,1,0,0,0|2,0,1]=4 1536 B6R0.4 CCOCC(=N)N MCULE-3232806707 [0,0,1,0,0,0|3,0,0]=4 1537 B6R0.4 CCOCC(=N)N MCULE-4996987536 [0,0,1,0,0,0|3,0,0]=4 1538 B6R0.4 CCOCC(=O)C MCULE-2825677443 [0,0,1,0,0,0|2,0,0]=3 1539 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [0,0,1,0,0,0|2,0,0]=3 1540 B6R0.4 CCOCC(=O)O MCULE-1726530898 [0,0,1,0,0,0|1,0,0]=2 1541 B6R0.4 CCOCC(=S)N MCULE-7064672670 [0,0,1,0,0,0|2,1,0]=4 1542 B6R0.4 CCOCC(C)O MCULE-6224339526 [0,0,1,0,0,0|2,0,1]=4 1543 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [0,0,1,0,0,0|2,0,1]=4 1544 B6R0.4 CCSCC(=O)C MCULE-9872082780 [0,0,1,0,0,0|2,0,0]=3 1545 B6R0.4 CCSCC(=O)O MCULE-7471335718 [0,0,1,0,0,0|1,0,0]=2 1546 B6R0.4 CN(C)CCC=O MCULE-6830649526 [0,0,1,0,0,0|2,0,0]=3 1547 B6R0.4 CNCCC(=O)N MCULE-1118876220 [0,0,1,0,0,0|2,0,0]=3 1548 B6R0.4 CNCCC(=O)N MCULE-6679713144 [0,0,1,0,0,0|2,0,0]=3 1549 B6R0.4 CNCCC(=O)O MCULE-3627988097 [0,0,1,0,0,0|1,0,0]=2 1550 B6R0.4 CNCCC(=O)O MCULE-9858204248 [0,0,1,0,0,0|1,0,0]=2 1551 B6R0.4 CNCCC(C)C MCULE-3679914556 [0,0,1,0,0,0|3,0,0]=4 1552 B6R0.4 CNCCC(C)C MCULE-9679972004 [0,0,1,0,0,0|3,0,0]=4 1553 B6R0.4 CNCCC(C)N MCULE-5955505029 [0,0,1,0,0,0|3,0,0]=4 1554 B6R0.4 CNCCC(C)N MCULE-8933967952 [0,0,1,0,0,0|3,0,0]=4 1555 B6R0.4 CNCCC(C)O MCULE-1615526002 [0,0,1,0,0,0|2,0,0]=3 1556 B6R0.4 CNCC[C@@H](C)N MCULE-6024494304 [0,0,1,0,0,0|3,0,0]=4 1557 B6R0.4 CNCC[C@H](C)N MCULE-5449372796 [0,0,1,0,0,0|3,0,0]=4 1558 B6R0.4 CNCC[C@H](C)N MCULE-8157402351 [0,0,1,0,0,0|3,0,0]=4 1559 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [0,0,1,0,0,0|1,0,2]=4 1560 B6R0.4 COC=CC(=O)O MCULE-4252899122 [0,0,1,0,0,0|1,0,2]=4 1561 B6R0.4 COCCC(=N)N MCULE-8118559492 [0,0,1,0,0,0|3,0,0]=4 1562 B6R0.4 COCCC(=N)N MCULE-9000138086 [0,0,1,0,0,0|3,0,0]=4 1563 B6R0.4 COCCC(=O)C MCULE-5939812376 [0,0,1,0,0,0|2,0,0]=3 1564 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [0,0,1,0,0,0|2,0,0]=3 1565 B6R0.4 COCCC(=O)N MCULE-7556483675 [0,0,1,0,0,0|2,0,0]=3 1566 B6R0.4 COCCC(=O)O MCULE-3436347115 [0,0,1,0,0,0|1,0,0]=2 1567 B6R0.4 COCCC(C)Br MCULE-6529807745 [0,0,1,0,0,0|3,0,0]=4 1568 B6R0.4 COCCC(C)C MCULE-8727768886 [0,0,1,0,0,0|3,0,0]=4 1569 B6R0.4 COCCC(C)N MCULE-6183216923 [0,0,1,0,0,0|3,0,0]=4 1570 B6R0.4 COCCC(C)O MCULE-6536001437 [0,0,1,0,0,0|2,0,0]=3 1571 B6R0.4 COCC[C@H](C)N MCULE-6163336851 [0,0,1,0,0,0|3,0,0]=4 1572 B6R0.4 COCC[C@H](C)N MCULE-6363449253 [0,0,1,0,0,0|3,0,0]=4 1573 B6R0.4 COCNC(=O)N MCULE-8367032240 [0,0,1,0,0,0|3,0,0]=4 1574 B6R0.4 COCOC(=O)C MCULE-8876091916 [0,0,1,0,0,0|3,0,0]=4 1575 B6R0.4 CON=CC(=O)O MCULE-6800819509 [0,0,1,0,0,0|2,0,1]=4 1576 B6R0.4 CS(=O)CCCN MCULE-1124989526 [0,0,1,0,0,0|3,0,0]=4 1577 B6R0.4 CS(=O)CCCN MCULE-8758903495 [0,0,1,0,0,0|3,0,0]=4 1578 B6R0.4 CSCCC(=N)N MCULE-3926353306 [0,0,1,0,0,0|3,0,0]=4 1579 B6R0.4 CSCCC(=N)N MCULE-4451485733 [0,0,1,0,0,0|3,0,0]=4 1580 B6R0.4 CSCCC(=O)C MCULE-6178663156 [0,0,1,0,0,0|2,0,0]=3 1581 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [0,0,1,0,0,0|2,0,0]=3 1582 B6R0.4 CSCCC(=O)N MCULE-7105035733 [0,0,1,0,0,0|2,0,0]=3 1583 B6R0.4 CSCCC(=O)O MCULE-9550032941 [0,0,1,0,0,0|1,0,0]=2 1584 B6R0.4 CSCCC(C)N MCULE-3925048385 [0,0,1,0,0,0|3,0,0]=4 1585 B6R0.4 CSCCC(C)O MCULE-5934844952 [0,0,1,0,0,0|2,0,0]=3 1586 B6R0.4 CSCOC(=O)C MCULE-1498769347 [0,0,1,0,0,0|3,0,0]=4 1587 B6R0.4 CSSCC(=O)O MCULE-5829510166 [0,0,1,0,0,0|2,0,0]=3 1588 B6R0.4 C[C@@H](N)CCCO MCULE-8313291415 [0,0,1,0,0,0|1,0,2]=4 1589 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [0,0,1,0,0,0|0,0,2]=3 1590 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [0,0,1,0,0,0|1,0,1]=3 1591 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [0,0,1,0,0,0|2,0,1]=4 1592 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [0,0,1,0,0,0|3,0,0]=4 1593 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [0,0,1,0,0,0|2,0,0]=3 1594 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,0,1,0,0,0|2,0,0]=3 1595 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [0,0,1,0,0,0|3,0,0]=4 1596 B6R0.4 NC(=O)NCCF MCULE-9526714989 [0,0,1,0,0,0|3,0,0]=4 1597 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,0,1,0,0,0|3,0,0]=4 1598 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,0,1,0,0,0|3,0,0]=4 1599 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,0,1,0,0,0|3,0,0]=4 1600 B6R0.4 NC(=S)CCCO MCULE-8951145487 [0,0,1,0,0,0|2,1,0]=4 1601 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [0,0,1,0,0,0|1,0,2]=4 1602 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [0,0,1,0,0,0|1,0,2]=4 1603 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [0,0,1,0,0,0|1,0,2]=4 1604 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [0,0,1,0,0,0|1,0,2]=4 1605 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [0,0,1,0,0,0|2,0,0]=3 1606 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [0,0,1,0,0,0|2,0,0]=3 1607 B6R0.4 NCCCC(=O)N MCULE-8039142092 [0,0,1,0,0,0|2,0,0]=3 1608 B6R0.4 NCCCC(=O)N MCULE-8262250872 [0,0,1,0,0,0|2,0,0]=3 1609 B6R0.4 NCCCC(=O)O MCULE-3615304273 [0,0,1,0,0,0|1,0,0]=2 1610 B6R0.4 NCCCC(=O)O MCULE-7613134021 [0,0,1,0,0,0|1,0,0]=2 1611 B6R0.4 NCCNC(=O)N MCULE-1197396950 [0,0,1,0,0,0|3,0,0]=4 1612 B6R0.4 NCCNC(=O)N MCULE-2171700183 [0,0,1,0,0,0|3,0,0]=4 1613 B6R0.4 NCCNC(=O)N MCULE-3799764813 [0,0,1,0,0,0|3,0,0]=4 1614 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,0,1,0,0,0|3,0,0]=4 1615 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,0,1,0,0,0|3,0,0]=4 1616 B6R0.4 NOCCC(=O)O MCULE-1529492904 [0,0,1,0,0,0|2,0,0]=3 1617 B6R0.4 NOCCC(=O)O MCULE-6297331357 [0,0,1,0,0,0|2,0,0]=3 1618 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [0,0,1,0,0,0|2,0,0]=3 1619 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [0,0,1,0,0,0|2,0,0]=3 1620 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [0,0,1,0,0,0|3,0,0]=4 1621 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [0,0,1,0,0,0|3,0,0]=4 1622 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [0,0,1,0,0,0|3,0,0]=4 1623 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [0,0,1,0,0,0|1,0,2]=4 1624 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [0,0,1,0,0,0|1,0,2]=4 1625 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [0,0,1,0,0,0|1,0,2]=4 1626 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [0,0,1,0,0,0|1,0,2]=4 1627 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [0,0,1,0,0,0|1,0,2]=4 1628 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [0,0,1,0,0,0|1,0,2]=4 1629 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [0,0,1,0,0,0|1,0,2]=4 1630 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [0,0,1,0,0,0|1,0,2]=4 1631 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [0,0,1,0,0,0|1,0,2]=4 1632 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [0,0,1,0,0,0|1,0,0]=2 1633 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [0,0,1,0,0,0|1,0,0]=2 1634 B6R0.4 O=C(O)CCCF MCULE-2415675768 [0,0,1,0,0,0|1,0,0]=2 1635 B6R0.4 O=C(O)CCCI MCULE-7794841553 [0,0,1,0,0,0|1,0,0]=2 1636 B6R0.4 O=C(O)CCCS MCULE-3352840152 [0,0,1,0,0,0|1,0,0]=2 1637 B6R0.4 O=C(O)CNCO MCULE-4092998319 [0,0,1,0,0,0|2,0,0]=3 1638 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [0,0,1,0,0,0|1,0,1]=3 1639 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [0,0,1,0,0,0|2,0,1]=4 1640 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [0,0,1,0,0,0|1,0,1]=3 1641 B6R0.4 O=CCCC(F)F MCULE-4743402824 [0,0,1,0,0,0|2,0,0]=3 1642 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [0,0,1,0,0,0|2,0,1]=4 1643 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [0,0,1,0,0,0|2,0,1]=4 1644 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [0,0,1,0,0,0|2,0,1]=4 1645 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [0,0,1,0,0,0|2,0,1]=4 1646 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [0,0,1,0,0,0|2,0,1]=4 1647 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [0,0,1,0,0,0|2,0,1]=4 1648 B8R2.4 O=C1CC2CC1C2 MCULE-5372379094 [0,0,0,1,0,0|1,0,0]=2 1649 B8R2.7 NC12CCC(C1)C2 MCULE-6127979464 [0,0,0,1,0,0|2,0,1]=4 1650 B8R2.7 NC12CCC(C1)C2 MCULE-6156688419 [0,0,0,1,0,0|2,0,1]=4 1651 B8R2.18 CN1CC2CC2C1 MCULE-2724053241 [0,0,0,1,0,0|3,0,0]=4 1652 B8R2.18 NC1CC2CC2C1 MCULE-3032680567 [0,0,0,1,0,0|2,0,1]=4 1653 B8R2.18 NC1CC2CC2C1 MCULE-9934458935 [0,0,0,1,0,0|2,0,1]=4 1654 B8R2.18 O=C1CC2CC2C1 MCULE-4411193370 [0,0,0,1,0,0|1,0,0]=2 1655 B8R2.18 O=C1CC2CC2N1 MCULE-6301280583 [0,0,0,1,0,0|1,0,0]=2 1656 B8R2.18 O=C1CC2OC2C1 MCULE-2497020989 [0,0,0,1,0,0|2,0,0]=3 1657 B8R2.18 O=C1C[C@@H]2C[C@@H]2C1 MCULE-3069760916 [0,0,0,1,0,0|1,0,0]=2 1658 B8R2.18 OC1CC2CC2C1 MCULE-8286897753 [0,0,0,1,0,0|1,0,2]=4 1659 B8R2.18 OC1C[C@@H]2C[C@H]2C1 MCULE-5372275932 [0,0,0,1,0,0|1,0,2]=4 1660 B8R2.18 [C@H]12C[C@@H](C[C@H]1C2)N MCULE-8411228973 [0,0,0,1,0,0|2,0,1]=4 1661 B8R2.18 [C@H]12C[C@@H](C[C@H]1C2)O MCULE-6709379275 [0,0,0,1,0,0|1,0,2]=4 1662 B8R2.18 [C@H]12C[C@H](C[C@H]1C2)O MCULE-6265084997 [0,0,0,1,0,0|1,0,2]=4 1663 B8R2.34 C12CCC(C1)CC2 MCULE-1355055086 [0,0,0,1,0,0|2,0,1]=4 1664 B8R2.34 C12CCC(N1)CC2 MCULE-1281306416 [0,0,0,1,0,0|2,0,1]=4 1665 B8R2.34 C12CCC(N1)CC2 MCULE-7971232384 [0,0,0,1,0,0|2,0,1]=4 1666 B8R2.34 C12CCC(O1)CC2 MCULE-3311907785 [0,0,0,1,0,0|1,0,1]=3 1667 B8R2.34 C1CC2CC1CN2 MCULE-3108846258 [0,0,0,1,0,0|2,0,1]=4 1668 B8R2.34 C1CC2CC1CN2 MCULE-9423533249 [0,0,0,1,0,0|2,0,1]=4 1669 B8R2.34 C1CC2CCC1C2 MCULE-4823835016 [0,0,0,1,0,0|2,0,1]=4 1670 B8R2.34 C1CC2CCC1N2 MCULE-3442591342 [0,0,0,1,0,0|2,0,1]=4 1671 B8R2.34 C1CC2CCC1N2 MCULE-6907063220 [0,0,0,1,0,0|2,0,1]=4 1672 B8R2.34 C1CC2CCC1O2 MCULE-2448969815 [0,0,0,1,0,0|1,0,1]=3 1673 B8R2.34 C1CN2CCC1C2 MCULE-2842080329 [0,0,0,1,0,0|3,0,0]=4 1674 B8R2.34 C1CN2CCC1C2 MCULE-4482053071 [0,0,0,1,0,0|3,0,0]=4 1675 B8R2.34 C1C[C@@H]2C[C@H]1CN2 MCULE-9652354064 [0,0,0,1,0,0|2,0,1]=4 1676 B8R2.34 [C@H]12CC[C@H](C1)CN2 MCULE-2608477156 [0,0,0,1,0,0|2,0,1]=4 1677 B8R2.34 [C@H]12CC[C@H](C1)CN2 MCULE-3717752357 [0,0,0,1,0,0|2,0,1]=4 1678 B8R2.34 [C@H]12CC[C@H](C1)NC2 MCULE-6796267590 [0,0,0,1,0,0|2,0,1]=4 1679 B8R2.34 [C@H]12CC[C@H](C1)NC2 MCULE-8206189991 [0,0,0,1,0,0|2,0,1]=4 1680 B8R2.38 NC1CCC2C1C2 MCULE-4902375424 [0,0,0,1,0,0|2,0,1]=4 1681 B8R2.38 NC1CCC2C1C2 MCULE-9059443543 [0,0,0,1,0,0|2,0,1]=4 1682 B8R2.38 O=C1CCC2C1C2 MCULE-4714285285 [0,0,0,1,0,0|1,0,0]=2 1683 B8R2.38 O=C1CCC2C1O2 MCULE-5532735099 [0,0,0,1,0,0|2,0,0]=3 1684 B8R2.38 O=C1CC[C@@H]2[C@H]1C2 MCULE-7728867768 [0,0,0,1,0,0|1,0,0]=2 1685 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-1007541778 [0,0,0,1,0,0|1,0,0]=2 1686 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-8077752466 [0,0,0,1,0,0|1,0,0]=2 1687 B8R2.38 O=C1NCC2C1C2 MCULE-5593114305 [0,0,0,1,0,0|2,0,0]=3 1688 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 MCULE-6438081695 [0,0,0,1,0,0|2,0,0]=3 1689 B8R2.38 OC1CCC2C1C2 MCULE-7193372575 [0,0,0,1,0,0|1,0,2]=4 1690 B8R2.38 O[C@@H]1CC[C@@H]2[C@H]1C2 MCULE-5135101961 [0,0,0,1,0,0|1,0,2]=4 1691 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,0,0,0,1,0|0,0,0]=1 1692 B6R1.4 CC1CCC1N MCULE-9634057678 [0,0,0,0,1,0|1,0,1]=3 1693 B6R1.4 CC1CCC1N MCULE-9849489304 [0,0,0,0,1,0|1,0,1]=3 1694 B6R1.4 CC1CCC1O MCULE-3852133104 [0,0,0,0,1,0|0,0,2]=3 1695 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,0,0,0,1,0|1,0,0]=2 1696 B6R1.4 CC1CNC1C MCULE-6217110869 [0,0,0,0,1,0|2,0,1]=4 1697 B6R1.4 CC1CNC1C MCULE-8966220604 [0,0,0,0,1,0|2,0,1]=4 1698 B6R1.4 CC1COC1=O MCULE-9711165188 [0,0,0,0,1,0|1,0,0]=2 1699 B6R1.4 CC1NCC1F MCULE-2205876595 [0,0,0,0,1,0|2,0,1]=4 1700 B6R1.4 CC1NCC1F MCULE-3575637458 [0,0,0,0,1,0|2,0,1]=4 1701 B6R1.4 CC1NCC1O MCULE-6512695808 [0,0,0,0,1,0|1,0,2]=4 1702 B6R1.4 CC1NCC1O MCULE-8357296054 [0,0,0,0,1,0|1,0,2]=4 1703 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,0,0,0,1,0|1,0,0]=2 1704 B6R1.4 CC1OCC1O MCULE-1893283492 [0,0,0,0,1,0|1,0,2]=4 1705 B6R1.4 C[C@@H]1CC[C@@H]1N MCULE-9803413081 [0,0,0,0,1,0|1,0,1]=3 1706 B6R1.4 C[C@@H]1CC[C@H]1N MCULE-3888655890 [0,0,0,0,1,0|1,0,1]=3 1707 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-5099590573 [0,0,0,0,1,0|2,0,1]=4 1708 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-6754257002 [0,0,0,0,1,0|2,0,1]=4 1709 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-7084262632 [0,0,0,0,1,0|2,0,1]=4 1710 B6R1.4 C[C@@H]1CN[C@@H]1C MCULE-9147724667 [0,0,0,0,1,0|2,0,1]=4 1711 B6R1.4 C[C@@H]1NC[C@@H]1F MCULE-2104999017 [0,0,0,0,1,0|2,0,1]=4 1712 B6R1.4 C[C@@H]1NC[C@@H]1F MCULE-9859591204 [0,0,0,0,1,0|2,0,1]=4 1713 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-1528414534 [0,0,0,0,1,0|1,0,2]=4 1714 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-2910306067 [0,0,0,0,1,0|1,0,2]=4 1715 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3197698089 [0,0,0,0,1,0|1,0,2]=4 1716 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3295326997 [0,0,0,0,1,0|1,0,2]=4 1717 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-5640695802 [0,0,0,0,1,0|1,0,2]=4 1718 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-7598216076 [0,0,0,0,1,0|1,0,2]=4 1719 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-2384338566 [0,0,0,0,1,0|2,0,1]=4 1720 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-3761027062 [0,0,0,0,1,0|2,0,1]=4 1721 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-7625337051 [0,0,0,0,1,0|2,0,1]=4 1722 B6R1.4 C[C@@H]1NC[C@H]1F MCULE-8482078532 [0,0,0,0,1,0|2,0,1]=4 1723 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3152396704 [0,0,0,0,1,0|1,0,2]=4 1724 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3248209918 [0,0,0,0,1,0|1,0,2]=4 1725 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3575939824 [0,0,0,0,1,0|1,0,2]=4 1726 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-4120662394 [0,0,0,0,1,0|1,0,2]=4 1727 B6R1.4 C[C@H]1CC[C@@H]1N MCULE-1445146965 [0,0,0,0,1,0|1,0,1]=3 1728 B6R1.4 C[C@H]1CC[C@H]1N MCULE-3329522369 [0,0,0,0,1,0|1,0,1]=3 1729 B6R1.4 C[C@H]1NC[C@@H]1F MCULE-6266484815 [0,0,0,0,1,0|2,0,1]=4 1730 B6R1.4 C[C@H]1NC[C@@H]1F MCULE-9525975864 [0,0,0,0,1,0|2,0,1]=4 1731 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-3510002118 [0,0,0,0,1,0|1,0,2]=4 1732 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-6901722671 [0,0,0,0,1,0|1,0,2]=4 1733 B6R1.4 C[C@H]1NC[C@H]1F MCULE-6303998999 [0,0,0,0,1,0|2,0,1]=4 1734 B6R1.4 C[C@H]1NC[C@H]1F MCULE-8897044344 [0,0,0,0,1,0|2,0,1]=4 1735 B6R1.4 C[C@H]1NC[C@H]1O MCULE-1733557375 [0,0,0,0,1,0|1,0,2]=4 1736 B6R1.4 C[C@H]1NC[C@H]1O MCULE-3026150373 [0,0,0,0,1,0|1,0,2]=4 1737 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7386387747 [0,0,0,0,1,0|1,0,2]=4 1738 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7405032693 [0,0,0,0,1,0|1,0,2]=4 1739 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,0,0,0,1,0|1,0,0]=2 1740 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,0,0,0,1,0|1,0,0]=2 1741 B6R1.4 NC1CCC1F MCULE-1403984623 [0,0,0,0,1,0|2,0,1]=4 1742 B6R1.4 NC1CCC1F MCULE-8216841286 [0,0,0,0,1,0|2,0,1]=4 1743 B6R1.4 NC1CCC1N MCULE-6052332328 [0,0,0,0,1,0|2,0,1]=4 1744 B6R1.4 NC1CCC1O MCULE-4636397534 [0,0,0,0,1,0|1,0,2]=4 1745 B6R1.4 NC1CCC1O MCULE-7148132261 [0,0,0,0,1,0|1,0,2]=4 1746 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,0,0,0,1,0|2,0,0]=3 1747 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,0,0,0,1,0|2,0,0]=3 1748 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,0,0,0,1,0|2,0,0]=3 1749 B6R1.4 NC1COC1=O MCULE-6998565452 [0,0,0,0,1,0|2,0,0]=3 1750 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,0,0,0,1,0|2,0,0]=3 1751 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,0,0,0,1,0|2,0,0]=3 1752 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-1054283097 [0,0,0,0,1,0|1,0,2]=4 1753 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-3905992171 [0,0,0,0,1,0|1,0,2]=4 1754 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-6111990015 [0,0,0,0,1,0|1,0,2]=4 1755 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-9101755956 [0,0,0,0,1,0|1,0,2]=4 1756 B6R1.4 N[C@@H]1CC[C@H]1N MCULE-6204977772 [0,0,0,0,1,0|2,0,1]=4 1757 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-1883601377 [0,0,0,0,1,0|1,0,2]=4 1758 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-6045787726 [0,0,0,0,1,0|1,0,2]=4 1759 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-7120290402 [0,0,0,0,1,0|1,0,2]=4 1760 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-8603369729 [0,0,0,0,1,0|1,0,2]=4 1761 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,0,0,0,1,0|2,0,0]=3 1762 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,0,0,0,1,0|2,0,0]=3 1763 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,0,0,0,1,0|2,0,0]=3 1764 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,0,0,0,1,0|2,0,0]=3 1765 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,0,0,0,1,0|2,0,0]=3 1766 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,0,0,0,1,0|2,0,0]=3 1767 B6R1.4 N[C@H]1CC[C@@H]1N MCULE-3551063683 [0,0,0,0,1,0|2,0,1]=4 1768 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-1761694918 [0,0,0,0,1,0|1,0,2]=4 1769 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-2828590958 [0,0,0,0,1,0|1,0,2]=4 1770 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-3261752057 [0,0,0,0,1,0|1,0,2]=4 1771 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-7711512049 [0,0,0,0,1,0|1,0,2]=4 1772 B6R1.4 N[C@H]1CC[C@H]1N MCULE-2823061893 [0,0,0,0,1,0|2,0,1]=4 1773 B6R1.4 N[C@H]1CC[C@H]1N MCULE-6752412872 [0,0,0,0,1,0|2,0,1]=4 1774 B6R1.4 N[C@H]1CC[C@H]1O MCULE-3204268809 [0,0,0,0,1,0|1,0,2]=4 1775 B6R1.4 N[C@H]1CC[C@H]1O MCULE-4184135738 [0,0,0,0,1,0|1,0,2]=4 1776 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,0,0,0,1,0|2,0,0]=3 1777 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,0,0,0,1,0|2,0,0]=3 1778 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,0,0,0,1,0|2,0,0]=3 1779 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,0,0,0,1,0|2,0,0]=3 1780 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,0,0,0,1,0|2,0,0]=3 1781 B6R1.4 O=C1CCC1Br MCULE-1088592133 [0,0,0,0,1,0|1,0,0]=2 1782 B6R1.4 O=C1CCC1F MCULE-6197375881 [0,0,0,0,1,0|1,0,0]=2 1783 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,0,0,0,1,0|1,0,0]=2 1784 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [0,0,0,0,1,0|1,0,0]=2 1785 B6R1.4 OC1CCC1O MCULE-3286787157 [0,0,0,0,1,0|1,0,2]=4 1786 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-5060593050 [0,0,0,0,1,0|1,0,2]=4 1787 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-6357622033 [0,0,0,0,1,0|1,0,2]=4 1788 B6R1.4 O[C@H]1CC[C@H]1O MCULE-7964152901 [0,0,0,0,1,0|1,0,2]=4 1789 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,0,0,0,1,0|2,0,0]=3 1790 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [0,0,0,0,1,0|0,0,2]=3 1791 B6R1.5 C=C1CC(C1)N MCULE-4635717695 [0,0,0,0,1,0|3,0,0]=4 1792 B6R1.5 C=C1CC(C1)N MCULE-6992894696 [0,0,0,0,1,0|3,0,0]=4 1793 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [0,0,0,0,1,0|1,0,0]=2 1794 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [0,0,0,0,1,0|1,0,0]=2 1795 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,0,0,0,1,0|0,0,0]=1 1796 B6R1.5 CC1CC(C1)N MCULE-5323299846 [0,0,0,0,1,0|2,0,1]=4 1797 B6R1.5 CC1CC(C1)N MCULE-9940885824 [0,0,0,0,1,0|2,0,1]=4 1798 B6R1.5 CC1CC(C1)O MCULE-8612661286 [0,0,0,0,1,0|1,0,2]=4 1799 B6R1.5 CC1CC(N1)C MCULE-2112479012 [0,0,0,0,1,0|2,0,1]=4 1800 B6R1.5 CC1CC(N1)C MCULE-4224653730 [0,0,0,0,1,0|2,0,1]=4 1801 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [0,0,0,0,1,0|2,0,0]=3 1802 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [0,0,0,0,1,0|2,0,0]=3 1803 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,0,0,0,1,0|0,0,0]=1 1804 B6R1.5 C[C@@H]1C[C@H](N1)C MCULE-1994890312 [0,0,0,0,1,0|2,0,1]=4 1805 B6R1.5 C[C@@H]1C[C@H](N1)C MCULE-7235151096 [0,0,0,0,1,0|2,0,1]=4 1806 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-1535311916 [0,0,0,0,1,0|2,0,1]=4 1807 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-2831484375 [0,0,0,0,1,0|2,0,1]=4 1808 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-4062075526 [0,0,0,0,1,0|2,0,1]=4 1809 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-8779826872 [0,0,0,0,1,0|2,0,1]=4 1810 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-9842353775 [0,0,0,0,1,0|2,0,1]=4 1811 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-9945333960 [0,0,0,0,1,0|2,0,1]=4 1812 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-7323273959 [0,0,0,0,1,0|2,0,1]=4 1813 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-9517005721 [0,0,0,0,1,0|2,0,1]=4 1814 B6R1.5 C[C@H]1C[C@H](C1)O MCULE-9757332081 [0,0,0,0,1,0|1,0,2]=4 1815 B6R1.5 C[C@H]1C[C@H](N1)C MCULE-1014047015 [0,0,0,0,1,0|2,0,1]=4 1816 B6R1.5 C[C@H]1C[C@H](N1)C MCULE-9280852387 [0,0,0,0,1,0|2,0,1]=4 1817 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [0,0,0,0,1,0|2,0,0]=3 1818 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [0,0,0,0,1,0|2,0,0]=3 1819 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [0,0,0,0,1,0|2,0,0]=3 1820 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [0,0,0,0,1,0|2,0,0]=3 1821 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [0,0,0,0,1,0|2,0,0]=3 1822 B8R1.3 C1(CNC(=O)CN1)C MCULE-9891046463 [0,0,0,0,0,1|2,0,0]=3 1823 B8R1.3 C=C1CCC(=O)CC1 MCULE-8766071389 [0,0,0,0,0,1|1,0,2]=4 1824 B8R1.3 C=C1CCC(CC1)C MCULE-8335929583 [0,0,0,0,0,1|2,0,0]=3 1825 B8R1.3 C=C1CCC(CC1)N MCULE-3488509161 [0,0,0,0,0,1|3,0,0]=4 1826 B8R1.3 C=C1CCC(CC1)N MCULE-4928995581 [0,0,0,0,0,1|3,0,0]=4 1827 B8R1.3 C=C1CCN(CC1)C MCULE-8616538841 [0,0,0,0,0,1|3,0,0]=4 1828 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [0,0,0,0,0,1|1,0,1]=3 1829 B8R1.3 CC1=CCC(CC1)N MCULE-2698586518 [0,0,0,0,0,1|3,0,0]=4 1830 B8R1.3 CC1=NNC(=O)CC1 MCULE-3548202908 [0,0,0,0,0,1|1,0,1]=3 1831 B8R1.3 CC1C=CC(=O)CC1 MCULE-6972928704 [0,0,0,0,0,1|1,0,0]=2 1832 B8R1.3 CC1CC=C(CC1)Cl MCULE-9255462781 [0,0,0,0,0,1|2,0,0]=3 1833 B8R1.3 CC1CCC(=O)CC1 MCULE-5534475096 [0,0,0,0,0,1|1,0,0]=2 1834 B8R1.3 CC1CCC(=O)CC1 MCULE-9038467737 [0,0,0,0,0,1|1,0,0]=2 1835 B8R1.3 CC1CCC(=O)CN1 MCULE-1285022466 [0,0,0,0,0,1|1,0,0]=2 1836 B8R1.3 CC1CCC(=O)CN1 MCULE-9314433387 [0,0,0,0,0,1|1,0,0]=2 1837 B8R1.3 CC1CCC(=O)CO1 MCULE-8334906567 [0,0,0,0,0,1|0,0,0]=1 1838 B8R1.3 CC1CCC(=O)CS1 MCULE-9188619559 [0,0,0,0,0,1|0,1,0]=2 1839 B8R1.3 CC1CCC(=O)NC1 MCULE-1307751847 [0,0,0,0,0,1|1,0,0]=2 1840 B8R1.3 CC1CCC(CC1)Br MCULE-9651780583 [0,0,0,0,0,1|2,0,1]=4 1841 B8R1.3 CC1CCC(CC1)C MCULE-8970080763 [0,0,0,0,0,1|2,0,1]=4 1842 B8R1.3 CC1CCC(CC1)N MCULE-1405299661 [0,0,0,0,0,1|2,0,1]=4 1843 B8R1.3 CC1CCC(CC1)N MCULE-2075843541 [0,0,0,0,0,1|2,0,1]=4 1844 B8R1.3 CC1CCC(CC1)O MCULE-7501628471 [0,0,0,0,0,1|1,0,2]=4 1845 B8R1.3 CC1CCC(CC1)S MCULE-6252839554 [0,0,0,0,0,1|1,1,1]=4 1846 B8R1.3 CC1CCC(CN1)O MCULE-1965969511 [0,0,0,0,0,1|1,0,2]=4 1847 B8R1.3 CC1CCC(CN1)O MCULE-8922826910 [0,0,0,0,0,1|1,0,2]=4 1848 B8R1.3 CC1CCC(CO1)O MCULE-8416383333 [0,0,0,0,0,1|0,0,2]=3 1849 B8R1.3 CC1CCC(NC1)C MCULE-5442214938 [0,0,0,0,0,1|2,0,1]=4 1850 B8R1.3 CC1CCN(CC1)C MCULE-6129657861 [0,0,0,0,0,1|3,0,0]=4 1851 B8R1.3 CC1CCN(CC1)N MCULE-3896858235 [0,0,0,0,0,1|3,0,0]=4 1852 B8R1.3 CC1CCN(CC1)N MCULE-5103609084 [0,0,0,0,0,1|3,0,0]=4 1853 B8R1.3 CC1CCN(CC1)N MCULE-5894508004 [0,0,0,0,0,1|3,0,0]=4 1854 B8R1.3 CC1CNC(=O)CN1 MCULE-2050820306 [0,0,0,0,0,1|2,0,0]=3 1855 B8R1.3 CC1CNC(=O)CN1 MCULE-9509469557 [0,0,0,0,0,1|2,0,0]=3 1856 B8R1.3 CC1CNC(=O)CO1 MCULE-6817757578 [0,0,0,0,0,1|1,0,0]=2 1857 B8R1.3 CC1COC(=O)OC1 MCULE-6795228051 [0,0,0,0,0,1|1,0,0]=2 1858 B8R1.3 CC1COC(CN1)C MCULE-4975068364 [0,0,0,0,0,1|2,0,1]=4 1859 B8R1.3 CC1COC(CN1)C MCULE-6443209935 [0,0,0,0,0,1|2,0,1]=4 1860 B8R1.3 CN1CC=C(CC1)Br MCULE-7803632839 [0,0,0,0,0,1|3,0,0]=4 1861 B8R1.3 CN1CC=C(CC1)Br MCULE-9568791028 [0,0,0,0,0,1|3,0,0]=4 1862 B8R1.3 CN1CCC(=O)CC1 MCULE-3370577555 [0,0,0,0,0,1|2,0,0]=3 1863 B8R1.3 CN1CCC(=O)CC1 MCULE-5364011649 [0,0,0,0,0,1|2,0,0]=3 1864 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-4693797730 [0,0,0,0,0,1|1,0,0]=2 1865 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-5991774380 [0,0,0,0,0,1|1,0,0]=2 1866 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-6484213897 [0,0,0,0,0,1|1,0,0]=2 1867 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-7346191190 [0,0,0,0,0,1|1,0,0]=2 1868 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-1181513126 [0,0,0,0,0,1|1,0,2]=4 1869 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-1902739569 [0,0,0,0,0,1|1,0,2]=4 1870 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-4923873245 [0,0,0,0,0,1|1,0,2]=4 1871 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-5091971479 [0,0,0,0,0,1|1,0,2]=4 1872 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-7440788820 [0,0,0,0,0,1|1,0,2]=4 1873 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-8869692501 [0,0,0,0,0,1|1,0,2]=4 1874 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-8099689887 [0,0,0,0,0,1|1,0,2]=4 1875 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-8746216012 [0,0,0,0,0,1|1,0,2]=4 1876 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-9870191339 [0,0,0,0,0,1|1,0,2]=4 1877 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1088991552 [0,0,0,0,0,1|2,0,0]=3 1878 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1952714815 [0,0,0,0,0,1|2,0,0]=3 1879 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-3350871833 [0,0,0,0,0,1|2,0,0]=3 1880 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-9637742350 [0,0,0,0,0,1|2,0,0]=3 1881 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7192421297 [0,0,0,0,0,1|1,0,0]=2 1882 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7394512903 [0,0,0,0,0,1|1,0,0]=2 1883 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1103945502 [0,0,0,0,0,1|2,0,1]=4 1884 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1391537108 [0,0,0,0,0,1|2,0,1]=4 1885 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1946095385 [0,0,0,0,0,1|2,0,1]=4 1886 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-4549349129 [0,0,0,0,0,1|2,0,1]=4 1887 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-6334939841 [0,0,0,0,0,1|1,0,0]=2 1888 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-8476307649 [0,0,0,0,0,1|1,0,0]=2 1889 B8R1.3 C[C@H]1CCC(=O)NC1 MCULE-5712112445 [0,0,0,0,0,1|1,0,0]=2 1890 B8R1.3 C[C@H]1CC[C@@H](CC1)N MCULE-4582129313 [0,0,0,0,0,1|2,0,1]=4 1891 B8R1.3 C[C@H]1CC[C@@H](CC1)N MCULE-8719793702 [0,0,0,0,0,1|2,0,1]=4 1892 B8R1.3 C[C@H]1CC[C@@H](CC1)O MCULE-9131864343 [0,0,0,0,0,1|1,0,2]=4 1893 B8R1.3 C[C@H]1CC[C@@H](CN1)O MCULE-4342382470 [0,0,0,0,0,1|1,0,2]=4 1894 B8R1.3 C[C@H]1CC[C@@H](CN1)O MCULE-7588845174 [0,0,0,0,0,1|1,0,2]=4 1895 B8R1.3 C[C@H]1CC[C@H](CC1)C MCULE-5381492320 [0,0,0,0,0,1|2,0,1]=4 1896 B8R1.3 C[C@H]1CC[C@H](CC1)N MCULE-5470842973 [0,0,0,0,0,1|2,0,1]=4 1897 B8R1.3 C[C@H]1CC[C@H](CC1)N MCULE-9610267582 [0,0,0,0,0,1|2,0,1]=4 1898 B8R1.3 C[C@H]1CC[C@H](CC1)O MCULE-3495737054 [0,0,0,0,0,1|1,0,2]=4 1899 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-1161766631 [0,0,0,0,0,1|1,0,2]=4 1900 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-1646727489 [0,0,0,0,0,1|1,0,2]=4 1901 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-4706855730 [0,0,0,0,0,1|1,0,2]=4 1902 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-6031163394 [0,0,0,0,0,1|1,0,2]=4 1903 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-3373819559 [0,0,0,0,0,1|2,0,0]=3 1904 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-4486681671 [0,0,0,0,0,1|2,0,0]=3 1905 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-7180229103 [0,0,0,0,0,1|2,0,0]=3 1906 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-9466864223 [0,0,0,0,0,1|2,0,0]=3 1907 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-6169535590 [0,0,0,0,0,1|1,0,0]=2 1908 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-8876635175 [0,0,0,0,0,1|1,0,0]=2 1909 B8R1.3 C[C@H]1CN[C@@H](CO1)C MCULE-4621250808 [0,0,0,0,0,1|2,0,1]=4 1910 B8R1.3 C[C@H]1CN[C@@H](CO1)C MCULE-7331563103 [0,0,0,0,0,1|2,0,1]=4 1911 B8R1.3 C[C@H]1CO[C@@H](CN1)C MCULE-5045303209 [0,0,0,0,0,1|2,0,1]=4 1912 B8R1.3 C[C@H]1CO[C@@H](CN1)C MCULE-8352332219 [0,0,0,0,0,1|2,0,1]=4 1913 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-1410633938 [0,0,0,0,0,1|2,0,1]=4 1914 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-1498993915 [0,0,0,0,0,1|2,0,1]=4 1915 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-3545205619 [0,0,0,0,0,1|2,0,1]=4 1916 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-5064602423 [0,0,0,0,0,1|2,0,1]=4 1917 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-5773597642 [0,0,0,0,0,1|2,0,1]=4 1918 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-6073716335 [0,0,0,0,0,1|2,0,1]=4 1919 B8R1.3 NC1CC=C(CC1)F MCULE-2544035375 [0,0,0,0,0,1|3,0,0]=4 1920 B8R1.3 NC1CC=C(CC1)F MCULE-8564869491 [0,0,0,0,0,1|3,0,0]=4 1921 B8R1.3 NC1CCC(=O)CC1 MCULE-5825363145 [0,0,0,0,0,1|2,0,0]=3 1922 B8R1.3 NC1CCC(=O)CC1 MCULE-6212878324 [0,0,0,0,0,1|2,0,0]=3 1923 B8R1.3 NC1CCC(=O)NC1 MCULE-2677675224 [0,0,0,0,0,1|2,0,0]=3 1924 B8R1.3 NC1CCC(=O)NC1 MCULE-8711968877 [0,0,0,0,0,1|2,0,0]=3 1925 B8R1.3 NC1CCC(=O)NC1 MCULE-8915391016 [0,0,0,0,0,1|2,0,0]=3 1926 B8R1.3 NC1CCS(=O)CC1 MCULE-3451996362 [0,0,0,0,0,1|3,0,0]=4 1927 B8R1.3 NC1CCS(=O)CC1 MCULE-4019175019 [0,0,0,0,0,1|3,0,0]=4 1928 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-5372893548 [0,0,0,0,0,1|2,0,0]=3 1929 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6411408704 [0,0,0,0,0,1|2,0,0]=3 1930 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6771263407 [0,0,0,0,0,1|2,0,0]=3 1931 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-9035818807 [0,0,0,0,0,1|2,0,0]=3 1932 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-1921494480 [0,0,0,0,0,1|2,0,0]=3 1933 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-4843708987 [0,0,0,0,0,1|2,0,0]=3 1934 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-6599794889 [0,0,0,0,0,1|2,0,0]=3 1935 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-7112568050 [0,0,0,0,0,1|2,0,0]=3 1936 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9053885307 [0,0,0,0,0,1|2,0,0]=3 1937 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9780118077 [0,0,0,0,0,1|2,0,0]=3 1938 B8R1.3 O=C1C=CC(OC1)O MCULE-1206409270 [0,0,0,0,0,1|1,0,2]=4 1939 B8R1.3 O=C1CCC(=O)CC1 MCULE-5432049567 [0,0,0,0,0,1|2,0,1]=4 1940 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,0,0,0,0,1|2,0,1]=4 1941 B8R1.3 O=C1CCC(=O)NN1 MCULE-3404255918 [0,0,0,0,0,1|2,0,1]=4 1942 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,0,0,0,0,1|1,0,1]=3 1943 B8R1.3 O=C1CCC(CC1)Br MCULE-1177789896 [0,0,0,0,0,1|2,0,0]=3 1944 B8R1.3 O=C1CCC(CC1)Cl MCULE-3647406761 [0,0,0,0,0,1|2,0,0]=3 1945 B8R1.3 O=C1CCC(CC1)F MCULE-5757540710 [0,0,0,0,0,1|2,0,0]=3 1946 B8R1.3 O=C1CCC(CC1)O MCULE-7247867750 [0,0,0,0,0,1|2,0,0]=3 1947 B8R1.3 O=C1CCC(CN1)F MCULE-1848493447 [0,0,0,0,0,1|2,0,0]=3 1948 B8R1.3 O=C1CCC(CN1)O MCULE-4501886280 [0,0,0,0,0,1|2,0,0]=3 1949 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,0,0,0,0,1|1,0,0]=2 1950 B8R1.3 O=C1CCS(=O)CC1 MCULE-5385870019 [0,0,0,0,0,1|3,0,0]=4 1951 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-3426407148 [0,0,0,0,0,1|2,0,0]=3 1952 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-9592320749 [0,0,0,0,0,1|2,0,0]=3 1953 B8R1.3 O=C1CC[C@H](CN1)O MCULE-1500705916 [0,0,0,0,0,1|2,0,0]=3 1954 B8R1.3 O=C1CC[C@H](CN1)O MCULE-9578240246 [0,0,0,0,0,1|2,0,0]=3 1955 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,0,0,1|2,0,1]=4 1956 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,0,0,0,0,1|2,0,1]=4 1957 B8R1.3 O=C1NCC(CN1)O MCULE-7019603243 [0,0,0,0,0,1|3,0,0]=4 1958 B8R1.3 O=S1CCC(CC1)O MCULE-7693506009 [0,0,0,0,0,1|3,0,0]=4 1959 B8R1.3 [C@@H]1(CC[C@@H](CC1)C)C MCULE-9917903475 [0,0,0,0,0,1|2,0,1]=4 1960 B8R1.3 [C@@H]1(CN[C@@H](CO1)C)C MCULE-3712952908 [0,0,0,0,0,1|2,0,1]=4 1961 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [0,0,0,0,0,1|1,0,0]=2 1962 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [0,0,0,0,0,1|1,0,0]=2 1963 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [0,0,0,0,0,1|1,0,0]=2 1964 B8R1.4 C1(CN(CCN1)C)C MCULE-4105126849 [0,0,0,0,0,1|3,0,0]=4 1965 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,0,0,0,0,1|1,0,0]=2 1966 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [0,0,0,0,0,1|0,0,2]=3 1967 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [0,0,0,0,0,1|1,0,1]=3 1968 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,0,0,0,0,1|1,0,1]=3 1969 B8R1.4 CC1=CC(CCC1)O MCULE-3389687006 [0,0,0,0,0,1|3,0,0]=4 1970 B8R1.4 CC1=CC(CNC1)C MCULE-4673363753 [0,0,0,0,0,1|2,0,0]=3 1971 B8R1.4 CC1=CC(CNC1)C MCULE-8321555834 [0,0,0,0,0,1|2,0,0]=3 1972 B8R1.4 CC1=CCCC(=O)C1 MCULE-8078773996 [0,0,0,0,0,1|1,0,1]=3 1973 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [0,0,0,0,0,1|0,0,1]=2 1974 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [0,0,0,0,0,1|1,0,0]=2 1975 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [0,0,0,0,0,1|1,0,0]=2 1976 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [0,0,0,0,0,1|1,0,0]=2 1977 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [0,0,0,0,0,1|1,0,0]=2 1978 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [0,0,0,0,0,1|1,0,0]=2 1979 B8R1.4 CC1CC(CCN1)O MCULE-6498081704 [0,0,0,0,0,1|1,0,2]=4 1980 B8R1.4 CC1CC(CCN1)O MCULE-7903568675 [0,0,0,0,0,1|1,0,2]=4 1981 B8R1.4 CC1CC(CCO1)N MCULE-6804148880 [0,0,0,0,0,1|2,0,1]=4 1982 B8R1.4 CC1CC(CCO1)N MCULE-8648516718 [0,0,0,0,0,1|2,0,1]=4 1983 B8R1.4 CC1CC(CCO1)O MCULE-4865141445 [0,0,0,0,0,1|1,0,2]=4 1984 B8R1.4 CC1CC(CCS1)N MCULE-2033728520 [0,0,0,0,0,1|2,0,1]=4 1985 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [0,0,0,0,0,1|0,0,1]=2 1986 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,0,0,0,0,1|1,0,0]=2 1987 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,0,0,0,0,1|1,0,0]=2 1988 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,0,0,0,0,1|1,0,0]=2 1989 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,0,0,0,0,1|0,0,0]=1 1990 B8R1.4 CC1CCCC(C1)Br MCULE-5316207726 [0,0,0,0,0,1|2,0,1]=4 1991 B8R1.4 CC1CCCC(C1)C MCULE-4586744389 [0,0,0,0,0,1|2,0,1]=4 1992 B8R1.4 CC1CCCC(C1)N MCULE-5556282713 [0,0,0,0,0,1|2,0,1]=4 1993 B8R1.4 CC1CCCC(C1)N MCULE-8731144009 [0,0,0,0,0,1|2,0,1]=4 1994 B8R1.4 CC1CCCC(C1)O MCULE-5839979596 [0,0,0,0,0,1|1,0,2]=4 1995 B8R1.4 CC1CCCC(C1)S MCULE-6656207820 [0,0,0,0,0,1|1,1,1]=4 1996 B8R1.4 CC1CCCC(N1)C MCULE-1701252671 [0,0,0,0,0,1|2,0,1]=4 1997 B8R1.4 CC1CCCC(N1)C MCULE-3781585788 [0,0,0,0,0,1|2,0,1]=4 1998 B8R1.4 CC1CCC[C@@H](N1)C MCULE-6717885612 [0,0,0,0,0,1|2,0,1]=4 1999 B8R1.4 CC1CCC[C@@H](N1)C MCULE-8850784160 [0,0,0,0,0,1|2,0,1]=4 2000 B8R1.4 CC1CCC[C@H](C1)O MCULE-8817611474 [0,0,0,0,0,1|1,0,2]=4 2001 B8R1.4 CC1CCC[C@H](N1)C MCULE-3950492914 [0,0,0,0,0,1|2,0,1]=4 2002 B8R1.4 CC1CCC[C@H](N1)C MCULE-6363665850 [0,0,0,0,0,1|2,0,1]=4 2003 B8R1.4 CC1CCN=C(S1)N MCULE-2188659606 [0,0,0,0,0,1|1,1,0]=3 2004 B8R1.4 CC1CCN=C(S1)N MCULE-8502352820 [0,0,0,0,0,1|1,1,0]=3 2005 B8R1.4 CC1CCNC(=N)C1 MCULE-2615774284 [0,0,0,0,0,1|2,0,0]=3 2006 B8R1.4 CC1CCNC(=N)C1 MCULE-9034088725 [0,0,0,0,0,1|2,0,0]=3 2007 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,0,0,0,0,1|1,0,0]=2 2008 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [0,0,0,0,0,1|1,0,0]=2 2009 B8R1.4 CC1CCNC(C1)C MCULE-8040810294 [0,0,0,0,0,1|2,0,1]=4 2010 B8R1.4 CC1CCNC(C1)C MCULE-8404028981 [0,0,0,0,0,1|2,0,1]=4 2011 B8R1.4 CC1CCOB(O1)O MCULE-4196565139 [0,0,0,0,0,1|1,0,1]=3 2012 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,0,0,0,0,1|1,0,0]=2 2013 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,0,0,0,0,1|0,0,0]=1 2014 B8R1.4 CC1CCOC(O1)C MCULE-1813287934 [0,0,0,0,0,1|1,0,1]=3 2015 B8R1.4 CC1CCOS(=O)O1 MCULE-8688981983 [0,0,0,0,0,1|1,0,0]=2 2016 B8R1.4 CC1CN(CCN1)C MCULE-1055309117 [0,0,0,0,0,1|3,0,0]=4 2017 B8R1.4 CC1CN(CCN1)C MCULE-3824647587 [0,0,0,0,0,1|3,0,0]=4 2018 B8R1.4 CC1CN(CCN1)C MCULE-6324823217 [0,0,0,0,0,1|3,0,0]=4 2019 B8R1.4 CC1CN(CCN1)C MCULE-6503611187 [0,0,0,0,0,1|3,0,0]=4 2020 B8R1.4 CC1CN(CCN1)C MCULE-7041006360 [0,0,0,0,0,1|3,0,0]=4 2021 B8R1.4 CC1CN(CCN1)C MCULE-7191718712 [0,0,0,0,0,1|3,0,0]=4 2022 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,0,0,0,0,1|1,0,0]=2 2023 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,0,0,0,0,1|1,0,0]=2 2024 B8R1.4 CC1CNCC(C1)C MCULE-6398397068 [0,0,0,0,0,1|2,0,1]=4 2025 B8R1.4 CC1CNCC(C1)F MCULE-8189756576 [0,0,0,0,0,1|2,0,1]=4 2026 B8R1.4 CC1CNCC(C1)N MCULE-3061635524 [0,0,0,0,0,1|2,0,1]=4 2027 B8R1.4 CC1CNCC(C1)O MCULE-3984160340 [0,0,0,0,0,1|1,0,2]=4 2028 B8R1.4 CC1CNCC(C1)O MCULE-8485435970 [0,0,0,0,0,1|1,0,2]=4 2029 B8R1.4 CC1CNCC(N1)C MCULE-3223409733 [0,0,0,0,0,1|2,0,1]=4 2030 B8R1.4 CC1CNCC(N1)C MCULE-5745545417 [0,0,0,0,0,1|2,0,1]=4 2031 B8R1.4 CC1CNCC(N1)C MCULE-8884559456 [0,0,0,0,0,1|2,0,1]=4 2032 B8R1.4 CC1CNCC(O1)C MCULE-1246186846 [0,0,0,0,0,1|1,0,1]=3 2033 B8R1.4 CC1CNCC(O1)C MCULE-4536319828 [0,0,0,0,0,1|1,0,1]=3 2034 B8R1.4 CC1CNCC(S1)C MCULE-8995906277 [0,0,0,0,0,1|1,1,1]=4 2035 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [0,0,0,0,0,1|1,0,0]=2 2036 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [0,0,0,0,0,1|1,0,0]=2 2037 B8R1.4 CC1COCC(N1)C MCULE-4328769074 [0,0,0,0,0,1|2,0,1]=4 2038 B8R1.4 CC1COCC(N1)C MCULE-5344050444 [0,0,0,0,0,1|2,0,1]=4 2039 B8R1.4 CC1CS(=O)CCN1 MCULE-1283703183 [0,0,0,0,0,1|2,0,0]=3 2040 B8R1.4 CC1CSCC(N1)C MCULE-6013986092 [0,0,0,0,0,1|2,0,1]=4 2041 B8R1.4 CN1CCC=C(C1)Br MCULE-2257933393 [0,0,0,0,0,1|3,0,0]=4 2042 B8R1.4 CN1CCC=C(C1)Br MCULE-5744160461 [0,0,0,0,0,1|3,0,0]=4 2043 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,0,0,0,0,1|2,0,0]=3 2044 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,0,0,0,0,1|2,0,0]=3 2045 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,0,0,0,0,1|2,0,0]=3 2046 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,0,0,0,0,1|2,0,0]=3 2047 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,0,0,0,0,1|2,0,0]=3 2048 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [0,0,0,0,0,1|1,0,0]=2 2049 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [0,0,0,0,0,1|1,0,0]=2 2050 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [0,0,0,0,0,1|1,0,0]=2 2051 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [0,0,0,0,0,1|1,0,0]=2 2052 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [0,0,0,0,0,1|1,0,0]=2 2053 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [0,0,0,0,0,1|1,0,0]=2 2054 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,0,0,0,0,1|1,0,0]=2 2055 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,0,0,0,0,1|1,0,0]=2 2056 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,0,0,0,0,1|1,0,0]=2 2057 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,0,0,0,0,1|1,0,0]=2 2058 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,0,0,0,0,1|0,0,0]=1 2059 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,0,0,0,0,1|0,0,0]=1 2060 B8R1.4 C[C@@H]1CCC[C@@H](C1)N MCULE-4415985299 [0,0,0,0,0,1|2,0,1]=4 2061 B8R1.4 C[C@@H]1CCC[C@@H](C1)N MCULE-8377118927 [0,0,0,0,0,1|2,0,1]=4 2062 B8R1.4 C[C@@H]1CCC[C@@H](C1)O MCULE-9818117668 [0,0,0,0,0,1|1,0,2]=4 2063 B8R1.4 C[C@@H]1CCC[C@H](C1)C MCULE-3238245504 [0,0,0,0,0,1|2,0,1]=4 2064 B8R1.4 C[C@@H]1CCC[C@H](C1)C MCULE-5078558305 [0,0,0,0,0,1|2,0,1]=4 2065 B8R1.4 C[C@@H]1CCC[C@H](C1)N MCULE-8122076410 [0,0,0,0,0,1|2,0,1]=4 2066 B8R1.4 C[C@@H]1CCC[C@H](C1)N MCULE-8755565938 [0,0,0,0,0,1|2,0,1]=4 2067 B8R1.4 C[C@@H]1CCC[C@H](N1)C MCULE-3698881454 [0,0,0,0,0,1|2,0,1]=4 2068 B8R1.4 C[C@@H]1CCC[C@H](N1)C MCULE-9551065058 [0,0,0,0,0,1|2,0,1]=4 2069 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-5066686774 [0,0,0,0,0,1|1,1,0]=3 2070 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-6965708093 [0,0,0,0,0,1|1,1,0]=3 2071 B8R1.4 C[C@@H]1CCN[C@@H](C1)C MCULE-1028257294 [0,0,0,0,0,1|2,0,1]=4 2072 B8R1.4 C[C@@H]1CCN[C@@H](C1)C MCULE-6672836947 [0,0,0,0,0,1|2,0,1]=4 2073 B8R1.4 C[C@@H]1CN(CCN1)C MCULE-1570359061 [0,0,0,0,0,1|3,0,0]=4 2074 B8R1.4 C[C@@H]1CN(CCN1)C MCULE-2310985091 [0,0,0,0,0,1|3,0,0]=4 2075 B8R1.4 C[C@@H]1CN(CCN1)C MCULE-2316648491 [0,0,0,0,0,1|3,0,0]=4 2076 B8R1.4 C[C@@H]1CN(CCN1)C MCULE-3211045897 [0,0,0,0,0,1|3,0,0]=4 2077 B8R1.4 C[C@@H]1CN(CCN1)C MCULE-4792990163 [0,0,0,0,0,1|3,0,0]=4 2078 B8R1.4 C[C@@H]1CN(CCN1)C MCULE-7243491288 [0,0,0,0,0,1|3,0,0]=4 2079 B8R1.4 C[C@@H]1CN(CCN1)C MCULE-7866165756 [0,0,0,0,0,1|3,0,0]=4 2080 B8R1.4 C[C@@H]1CN(CCN1)C MCULE-8629381213 [0,0,0,0,0,1|3,0,0]=4 2081 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,0,0,0,0,1|1,0,0]=2 2082 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,0,0,0,0,1|1,0,0]=2 2083 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,0,0,0,0,1|1,0,0]=2 2084 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,0,0,0,0,1|1,0,0]=2 2085 B8R1.4 C[C@@H]1CNC[C@@H](C1)C MCULE-5074164144 [0,0,0,0,0,1|2,0,1]=4 2086 B8R1.4 C[C@@H]1CNC[C@@H](C1)C MCULE-6080949069 [0,0,0,0,0,1|2,0,1]=4 2087 B8R1.4 C[C@@H]1CNC[C@H](C1)C MCULE-2125944179 [0,0,0,0,0,1|2,0,1]=4 2088 B8R1.4 C[C@@H]1CNC[C@H](C1)C MCULE-2907126543 [0,0,0,0,0,1|2,0,1]=4 2089 B8R1.4 C[C@@H]1CNC[C@H](N1)C MCULE-1696828647 [0,0,0,0,0,1|2,0,1]=4 2090 B8R1.4 C[C@@H]1CNC[C@H](N1)C MCULE-2468311268 [0,0,0,0,0,1|2,0,1]=4 2091 B8R1.4 C[C@@H]1CNC[C@H](N1)C MCULE-2908961419 [0,0,0,0,0,1|2,0,1]=4 2092 B8R1.4 C[C@@H]1CNC[C@H](N1)C MCULE-5992167849 [0,0,0,0,0,1|2,0,1]=4 2093 B8R1.4 C[C@@H]1CNC[C@H](N1)C MCULE-7171430893 [0,0,0,0,0,1|2,0,1]=4 2094 B8R1.4 C[C@@H]1CNC[C@H](N1)C MCULE-7562808389 [0,0,0,0,0,1|2,0,1]=4 2095 B8R1.4 C[C@@H]1CNC[C@H](N1)C MCULE-9110042896 [0,0,0,0,0,1|2,0,1]=4 2096 B8R1.4 C[C@@H]1CNC[C@H](O1)C MCULE-8338777291 [0,0,0,0,0,1|1,0,1]=3 2097 B8R1.4 C[C@@H]1CNC[C@H](O1)C MCULE-9597572516 [0,0,0,0,0,1|1,0,1]=3 2098 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [0,0,0,0,0,1|1,0,0]=2 2099 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [0,0,0,0,0,1|1,0,0]=2 2100 B8R1.4 C[C@@H]1COC[C@H](N1)C MCULE-2736879628 [0,0,0,0,0,1|2,0,1]=4 2101 B8R1.4 C[C@@H]1COC[C@H](N1)C MCULE-6480700093 [0,0,0,0,0,1|2,0,1]=4 2102 B8R1.4 C[C@@H]1COC[C@H](N1)C MCULE-7175758116 [0,0,0,0,0,1|2,0,1]=4 2103 B8R1.4 C[C@@H]1COC[C@H](N1)C MCULE-8111856201 [0,0,0,0,0,1|2,0,1]=4 2104 B8R1.4 C[C@@H]1COC[C@H](N1)C MCULE-9185751584 [0,0,0,0,0,1|2,0,1]=4 2105 B8R1.4 C[C@@H]1CSC[C@H](N1)C MCULE-1704971441 [0,0,0,0,0,1|2,0,1]=4 2106 B8R1.4 C[C@@H]1C[C@@H](CCN1)F MCULE-1398077984 [0,0,0,0,0,1|2,0,1]=4 2107 B8R1.4 C[C@@H]1C[C@@H](CCN1)F MCULE-2358777348 [0,0,0,0,0,1|2,0,1]=4 2108 B8R1.4 C[C@@H]1C[C@@H](CCN1)F MCULE-3912836765 [0,0,0,0,0,1|2,0,1]=4 2109 B8R1.4 C[C@@H]1C[C@@H](CCN1)F MCULE-4676698183 [0,0,0,0,0,1|2,0,1]=4 2110 B8R1.4 C[C@@H]1C[C@@H](CCN1)N MCULE-5240939973 [0,0,0,0,0,1|2,0,1]=4 2111 B8R1.4 C[C@@H]1C[C@@H](CCN1)N MCULE-7786078968 [0,0,0,0,0,1|2,0,1]=4 2112 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-4140093728 [0,0,0,0,0,1|1,0,2]=4 2113 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-5163618886 [0,0,0,0,0,1|1,0,2]=4 2114 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-7763919398 [0,0,0,0,0,1|1,0,2]=4 2115 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-8618284571 [0,0,0,0,0,1|1,0,2]=4 2116 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-5401313109 [0,0,0,0,0,1|2,0,1]=4 2117 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-6369939467 [0,0,0,0,0,1|2,0,1]=4 2118 B8R1.4 C[C@@H]1C[C@@H](CCO1)O MCULE-6251959536 [0,0,0,0,0,1|1,0,2]=4 2119 B8R1.4 C[C@@H]1C[C@H](CCN1)O MCULE-6703272966 [0,0,0,0,0,1|1,0,2]=4 2120 B8R1.4 C[C@@H]1C[C@H](CCO1)Br MCULE-5055630042 [0,0,0,0,0,1|2,0,1]=4 2121 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-3414529082 [0,0,0,0,0,1|2,0,1]=4 2122 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-9424615508 [0,0,0,0,0,1|2,0,1]=4 2123 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [0,0,0,0,0,1|1,0,0]=2 2124 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [0,0,0,0,0,1|1,0,0]=2 2125 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [0,0,0,0,0,1|1,0,0]=2 2126 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [0,0,0,0,0,1|1,0,0]=2 2127 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [0,0,0,0,0,1|1,0,0]=2 2128 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [0,0,0,0,0,1|1,0,0]=2 2129 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [0,0,0,0,0,1|1,0,0]=2 2130 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,0,0,0,0,1|1,0,0]=2 2131 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,0,0,0,0,1|1,0,0]=2 2132 B8R1.4 C[C@H]1CCC[C@@H](N1)C MCULE-1147260663 [0,0,0,0,0,1|2,0,1]=4 2133 B8R1.4 C[C@H]1CCC[C@@H](N1)C MCULE-9029116005 [0,0,0,0,0,1|2,0,1]=4 2134 B8R1.4 C[C@H]1CCC[C@H](C1)C MCULE-7889833647 [0,0,0,0,0,1|2,0,1]=4 2135 B8R1.4 C[C@H]1CCC[C@H](C1)N MCULE-5054508849 [0,0,0,0,0,1|2,0,1]=4 2136 B8R1.4 C[C@H]1CCC[C@H](C1)O MCULE-9355825371 [0,0,0,0,0,1|1,0,2]=4 2137 B8R1.4 C[C@H]1CCC[C@H](N1)C MCULE-5870895189 [0,0,0,0,0,1|2,0,1]=4 2138 B8R1.4 C[C@H]1CCC[C@H](N1)C MCULE-9926277933 [0,0,0,0,0,1|2,0,1]=4 2139 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,0,0,0,0,1|1,0,0]=2 2140 B8R1.4 C[C@H]1CCN[C@H](C1)C MCULE-3280721182 [0,0,0,0,0,1|2,0,1]=4 2141 B8R1.4 C[C@H]1CCN[C@H](C1)C MCULE-4356238844 [0,0,0,0,0,1|2,0,1]=4 2142 B8R1.4 C[C@H]1CN(CCN1)C MCULE-3768688515 [0,0,0,0,0,1|3,0,0]=4 2143 B8R1.4 C[C@H]1CN(CCN1)C MCULE-4142367217 [0,0,0,0,0,1|3,0,0]=4 2144 B8R1.4 C[C@H]1CN(CCN1)C MCULE-7427337853 [0,0,0,0,0,1|3,0,0]=4 2145 B8R1.4 C[C@H]1CN(CCN1)C MCULE-9194909314 [0,0,0,0,0,1|3,0,0]=4 2146 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,0,0,0,0,1|1,0,0]=2 2147 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,0,0,0,0,1|1,0,0]=2 2148 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,0,0,0,0,1|1,0,0]=2 2149 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,0,0,0,0,1|1,0,0]=2 2150 B8R1.4 C[C@H]1CNC[C@@H](C1)C MCULE-3540731481 [0,0,0,0,0,1|2,0,1]=4 2151 B8R1.4 C[C@H]1CNC[C@@H](N1)C MCULE-2085737588 [0,0,0,0,0,1|2,0,1]=4 2152 B8R1.4 C[C@H]1CNC[C@@H](N1)C MCULE-3560259275 [0,0,0,0,0,1|2,0,1]=4 2153 B8R1.4 C[C@H]1CNC[C@@H](N1)C MCULE-4934383491 [0,0,0,0,0,1|2,0,1]=4 2154 B8R1.4 C[C@H]1CNC[C@@H](N1)C MCULE-5596475906 [0,0,0,0,0,1|2,0,1]=4 2155 B8R1.4 C[C@H]1CNC[C@@H](N1)C MCULE-9160000333 [0,0,0,0,0,1|2,0,1]=4 2156 B8R1.4 C[C@H]1CNC[C@@H](N1)C MCULE-9804669326 [0,0,0,0,0,1|2,0,1]=4 2157 B8R1.4 C[C@H]1CNC[C@@H](O1)C MCULE-3690703731 [0,0,0,0,0,1|1,0,1]=3 2158 B8R1.4 C[C@H]1CNC[C@@H](O1)C MCULE-4390136549 [0,0,0,0,0,1|1,0,1]=3 2159 B8R1.4 C[C@H]1CNC[C@@H](O1)C MCULE-6341510399 [0,0,0,0,0,1|1,0,1]=3 2160 B8R1.4 C[C@H]1CNC[C@H](N1)C MCULE-1933589286 [0,0,0,0,0,1|2,0,1]=4 2161 B8R1.4 C[C@H]1CNC[C@H](O1)C MCULE-8184385886 [0,0,0,0,0,1|1,0,1]=3 2162 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [0,0,0,0,0,1|1,0,0]=2 2163 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [0,0,0,0,0,1|1,0,0]=2 2164 B8R1.4 C[C@H]1COC[C@@H](N1)C MCULE-1719904204 [0,0,0,0,0,1|2,0,1]=4 2165 B8R1.4 C[C@H]1COC[C@@H](N1)C MCULE-4982848827 [0,0,0,0,0,1|2,0,1]=4 2166 B8R1.4 C[C@H]1COC[C@@H](N1)C MCULE-5187697554 [0,0,0,0,0,1|2,0,1]=4 2167 B8R1.4 C[C@H]1COC[C@@H](N1)C MCULE-5502522190 [0,0,0,0,0,1|2,0,1]=4 2168 B8R1.4 C[C@H]1COC[C@H](N1)C MCULE-1213066303 [0,0,0,0,0,1|2,0,1]=4 2169 B8R1.4 C[C@H]1COC[C@H](N1)C MCULE-4127485214 [0,0,0,0,0,1|2,0,1]=4 2170 B8R1.4 C[C@H]1CSC[C@@H](N1)C MCULE-8706645092 [0,0,0,0,0,1|2,0,1]=4 2171 B8R1.4 C[C@H]1CSC[C@H](N1)C MCULE-8606563794 [0,0,0,0,0,1|2,0,1]=4 2172 B8R1.4 C[C@H]1C[C@@H](CCN1)O MCULE-1694554479 [0,0,0,0,0,1|1,0,2]=4 2173 B8R1.4 C[C@H]1C[C@@H](CCO1)N MCULE-1731421927 [0,0,0,0,0,1|2,0,1]=4 2174 B8R1.4 C[C@H]1C[C@@H](CCO1)O MCULE-3846187212 [0,0,0,0,0,1|1,0,2]=4 2175 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2129467220 [0,0,0,0,0,1|1,0,2]=4 2176 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2293561927 [0,0,0,0,0,1|1,0,2]=4 2177 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2465229358 [0,0,0,0,0,1|1,0,2]=4 2178 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2588665539 [0,0,0,0,0,1|1,0,2]=4 2179 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-4194322726 [0,0,0,0,0,1|1,0,2]=4 2180 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-4666938059 [0,0,0,0,0,1|1,0,2]=4 2181 B8R1.4 C[C@H]1C[C@H](CCO1)N MCULE-6954386064 [0,0,0,0,0,1|2,0,1]=4 2182 B8R1.4 C[C@H]1C[C@H](CCO1)O MCULE-3007764630 [0,0,0,0,0,1|1,0,2]=4 2183 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [0,0,0,0,0,1|2,0,1]=4 2184 B8R1.4 NC1=CC(=O)COC1 MCULE-7765608843 [0,0,0,0,0,1|2,0,1]=4 2185 B8R1.4 NC1=NCCC(=O)N1 MCULE-1616157929 [0,0,0,0,0,1|2,0,1]=4 2186 B8R1.4 NC1C=C(CCC1)F MCULE-7477602128 [0,0,0,0,0,1|3,0,0]=4 2187 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,0,0,0,0,1|2,0,0]=3 2188 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,0,0,0,0,1|2,0,0]=3 2189 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,0,0,0,0,1|2,0,0]=3 2190 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,0,0,0,0,1|2,0,0]=3 2191 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,0,0,0,0,1|2,0,0]=3 2192 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,0,0,0,0,1|2,0,0]=3 2193 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,0,0,0,0,1|2,0,0]=3 2194 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,0,0,0,0,1|2,0,0]=3 2195 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,0,0,0,0,1|2,0,0]=3 2196 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,0,0,0,0,1|2,0,0]=3 2197 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,0,0,0,0,1|2,0,0]=3 2198 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,0,0,0,0,1|2,0,0]=3 2199 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,0,0,0,0,1|2,0,0]=3 2200 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,0,0,0,0,1|2,0,0]=3 2201 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,0,0,0,0,1|2,0,0]=3 2202 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,0,0,0,0,1|2,0,0]=3 2203 B8R1.4 O=C1C=C(CCC1)Br MCULE-3733885681 [0,0,0,0,0,1|2,0,1]=4 2204 B8R1.4 O=C1C=C(CCC1)Cl MCULE-9612484193 [0,0,0,0,0,1|2,0,1]=4 2205 B8R1.4 O=C1C=C(CCC1)I MCULE-4085762002 [0,0,0,0,0,1|2,0,1]=4 2206 B8R1.4 O=C1C=C(CCC1)O MCULE-5615245957 [0,0,0,0,0,1|2,0,1]=4 2207 B8R1.4 O=C1C=C(CCN1)Br MCULE-5356952780 [0,0,0,0,0,1|2,0,1]=4 2208 B8R1.4 O=C1C=C(COC1)O MCULE-2385941614 [0,0,0,0,0,1|2,0,1]=4 2209 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,0,0,0,0,1|2,0,0]=3 2210 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,0,0,0,0,1|2,0,0]=3 2211 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,0,0,0,0,1|2,0,0]=3 2212 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,0,0,0,0,1|2,0,0]=3 2213 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [0,0,0,0,0,1|2,0,1]=4 2214 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [0,0,0,0,0,1|2,0,1]=4 2215 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [0,0,0,0,0,1|1,0,1]=3 2216 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,0,0,0,0,1|2,0,0]=3 2217 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,0,0,0,0,1|2,0,0]=3 2218 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [0,0,0,0,0,1|2,0,1]=4 2219 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [0,0,0,0,0,1|2,0,1]=4 2220 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [0,0,0,0,0,1|1,0,1]=3 2221 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,0,0,0,0,1|2,0,1]=4 2222 B8R1.4 O=C1CNCC(=O)C1 MCULE-9390215509 [0,0,0,0,0,1|2,0,1]=4 2223 B8R1.4 O=C1CNCC(=O)C1 MCULE-9631657912 [0,0,0,0,0,1|2,0,1]=4 2224 B8R1.4 O=C1CNCC(=O)N1 MCULE-2684405909 [0,0,0,0,0,1|2,0,1]=4 2225 B8R1.4 O=C1CNCC(=O)N1 MCULE-8918860650 [0,0,0,0,0,1|2,0,1]=4 2226 B8R1.4 O=C1COCC(=O)C1 MCULE-1763175933 [0,0,0,0,0,1|2,0,1]=4 2227 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [0,0,0,0,0,1|2,0,1]=4 2228 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [0,0,0,0,0,1|1,0,1]=3 2229 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,0,0,0,0,1|2,0,0]=3 2230 B8R1.4 O=C1CSCC(=O)C1 MCULE-7749510849 [0,0,0,0,0,1|2,0,1]=4 2231 B8R1.4 O=C1CSCC(=O)N1 MCULE-5124635458 [0,0,0,0,0,1|2,0,1]=4 2232 B8R1.4 O=C1CSCC(=O)O1 MCULE-6767203470 [0,0,0,0,0,1|1,0,1]=3 2233 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,0,0,0,0,1|2,0,0]=3 2234 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,0,0,0,0,1|2,0,0]=3 2235 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,0,0,0,0,1|2,0,0]=3 2236 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,0,0,0,0,1|2,0,0]=3 2237 B8R1.4 O=C1NC(=S)CCS1 MCULE-5745642312 [0,0,0,0,0,1|2,0,1]=4 2238 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-6235987509 [0,0,0,0,0,1|2,0,1]=4 2239 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-9016019550 [0,0,0,0,0,1|2,0,1]=4 2240 B8R1.4 OC1C=C(COC1)Br MCULE-4969292541 [0,0,0,0,0,1|3,0,0]=4 2241 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,0,0,0,0,1|1,0,0]=2 2242 B8R1.4 [C@@H]1(CCC[C@@H](C1)N)C MCULE-3863430976 [0,0,0,0,0,1|2,0,1]=4 2243 B8R1.4 [C@@H]1(CNC[C@@H](N1)C)C MCULE-6979318448 [0,0,0,0,0,1|2,0,1]=4 2244 B8R1.4 [C@@H]1(CNC[C@@H](N1)C)C MCULE-8120831918 [0,0,0,0,0,1|2,0,1]=4 2245 B8R1.4 [C@H]1(COC[C@H](N1)C)C MCULE-9060251275 [0,0,0,0,0,1|2,0,1]=4 2246 B5R0.1 C#CCC(=O)O MCULE-4680699666 [1,0,1,0,0,0|0,0,2]=4 2247 B5R0.1 C#CCC(C)O MCULE-2487589857 [1,0,1,0,0,0|0,0,2]=4 2248 B5R0.1 C(C)(N)CCC MCULE-4800297905 [1,0,1,0,0,0|1,0,1]=4 2249 B5R0.1 C(C)(N)CCC MCULE-7674864567 [1,0,1,0,0,0|1,0,1]=4 2250 B5R0.1 C(C)(N)CCO MCULE-5545469271 [1,0,1,0,0,0|1,0,1]=4 2251 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,0,1,0,0,0|1,0,1]=4 2252 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,1,0,0,0|0,0,2]=4 2253 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [1,0,1,0,0,0|1,0,0]=3 2254 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [1,0,1,0,0,0|1,0,1]=4 2255 B5R0.1 C=C(C)CCC MCULE-8225129744 [1,0,1,0,0,0|2,0,0]=4 2256 B5R0.1 C=C(C)OCC MCULE-5303468686 [1,0,1,0,0,0|1,0,0]=3 2257 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,0,1,0,0,0|0,0,2]=4 2258 B5R0.1 C=CCC(C)Br MCULE-5638987302 [1,0,1,0,0,0|1,0,1]=4 2259 B5R0.1 C=CCC(C)C MCULE-4586731422 [1,0,1,0,0,0|1,0,1]=4 2260 B5R0.1 C=CCC(C)N MCULE-5354228552 [1,0,1,0,0,0|1,0,1]=4 2261 B5R0.1 C=CCC(C)N MCULE-9454660067 [1,0,1,0,0,0|1,0,1]=4 2262 B5R0.1 C=CCC(C)O MCULE-7724200334 [1,0,1,0,0,0|0,0,1]=3 2263 B5R0.1 C=CCC(C)O MCULE-9910771503 [1,0,1,0,0,0|0,0,1]=3 2264 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [1,0,1,0,0,0|0,0,1]=3 2265 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [1,0,1,0,0,0|0,0,1]=3 2266 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [1,0,1,0,0,0|1,0,1]=4 2267 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [1,0,1,0,0,0|1,0,1]=4 2268 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [1,0,1,0,0,0|0,0,1]=3 2269 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [1,0,1,0,0,0|0,0,1]=3 2270 B5R0.1 C=COC(=O)C MCULE-7626795765 [1,0,1,0,0,0|0,0,2]=4 2271 B5R0.1 C=COC(C)C MCULE-6339383821 [1,0,1,0,0,0|0,0,1]=3 2272 B5R0.1 CC#CC(=O)C MCULE-4083248904 [1,0,1,0,0,0|1,0,1]=4 2273 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,0,1,0,0,0|0,0,2]=4 2274 B5R0.1 CC#CC(C)C MCULE-9841369985 [1,0,1,0,0,0|1,0,1]=4 2275 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,0,1,0,0,0|1,0,1]=4 2276 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,1,0,0,0|2,0,0]=4 2277 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,1,0,0,0|2,0,0]=4 2278 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,1,0,0,0|2,0,0]=4 2279 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,1,0,0,0|2,0,0]=4 2280 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,1,0,0,0|2,0,0]=4 2281 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,0,1,0,0,0|2,0,0]=4 2282 B5R0.1 CC(=O)OCBr MCULE-9842804945 [1,0,1,0,0,0|1,0,0]=3 2283 B5R0.1 CC(=O)OCCl MCULE-6822222026 [1,0,1,0,0,0|1,0,0]=3 2284 B5R0.1 CC(=O)SCBr MCULE-9794607323 [1,0,1,0,0,0|1,1,0]=4 2285 B5R0.1 CC(Br)CCBr MCULE-1045475402 [1,0,1,0,0,0|2,0,0]=4 2286 B5R0.1 CC(C)CC=O MCULE-2939497534 [1,0,1,0,0,0|1,0,0]=3 2287 B5R0.1 CC(C)CCBr MCULE-7163010428 [1,0,1,0,0,0|2,0,0]=4 2288 B5R0.1 CC(C)CCCl MCULE-8360122696 [1,0,1,0,0,0|2,0,0]=4 2289 B5R0.1 CC(C)CCCl MCULE-9017922949 [1,0,1,0,0,0|2,0,0]=4 2290 B5R0.1 CC(C)CCI MCULE-4934529500 [1,0,1,0,0,0|2,0,0]=4 2291 B5R0.1 CC(C)CCN MCULE-3081003576 [1,0,1,0,0,0|2,0,0]=4 2292 B5R0.1 CC(C)CCN MCULE-5118782389 [1,0,1,0,0,0|2,0,0]=4 2293 B5R0.1 CC(C)CCN MCULE-5217981670 [1,0,1,0,0,0|2,0,0]=4 2294 B5R0.1 CC(C)CCN MCULE-6280940933 [1,0,1,0,0,0|2,0,0]=4 2295 B5R0.1 CC(C)CCO MCULE-7411270401 [1,0,1,0,0,0|1,0,1]=4 2296 B5R0.1 CC(C)CCS MCULE-7115473363 [1,0,1,0,0,0|1,1,0]=4 2297 B5R0.1 CC(C)N=C=O MCULE-8392299675 [1,0,1,0,0,0|1,0,1]=4 2298 B5R0.1 CC(C)NC=O MCULE-1764010394 [1,0,1,0,0,0|1,0,0]=3 2299 B5R0.1 CC(C)OC=O MCULE-8263698122 [1,0,1,0,0,0|0,0,0]=2 2300 B5R0.1 CC(C)OCCl MCULE-3680602217 [1,0,1,0,0,0|1,0,1]=4 2301 B5R0.1 CC(Cl)CCCl MCULE-3656498608 [1,0,1,0,0,0|2,0,0]=4 2302 B5R0.1 CC(Cl)CCO MCULE-1955496242 [1,0,1,0,0,0|1,0,1]=4 2303 B5R0.1 CC(F)CCBr MCULE-3035340901 [1,0,1,0,0,0|2,0,0]=4 2304 B5R0.1 CC(F)CCI MCULE-6469250150 [1,0,1,0,0,0|2,0,0]=4 2305 B5R0.1 CC(F)CCN MCULE-2805813131 [1,0,1,0,0,0|2,0,0]=4 2306 B5R0.1 CC(F)CCN MCULE-5849913362 [1,0,1,0,0,0|2,0,0]=4 2307 B5R0.1 CC(N)CCN MCULE-5308134596 [1,0,1,0,0,0|2,0,0]=4 2308 B5R0.1 CC(N)CCN MCULE-5880045507 [1,0,1,0,0,0|2,0,0]=4 2309 B5R0.1 CC(N)CCN MCULE-7827515430 [1,0,1,0,0,0|2,0,0]=4 2310 B5R0.1 CC(N)CCO MCULE-1771399942 [1,0,1,0,0,0|1,0,1]=4 2311 B5R0.1 CC(N)CCO MCULE-7239872808 [1,0,1,0,0,0|1,0,1]=4 2312 B5R0.1 CC(O)CC#N MCULE-7172428142 [1,0,1,0,0,0|1,0,1]=4 2313 B5R0.1 CC(O)CCBr MCULE-7983169885 [1,0,1,0,0,0|1,0,0]=3 2314 B5R0.1 CC(O)CCCl MCULE-2952545606 [1,0,1,0,0,0|1,0,0]=3 2315 B5R0.1 CC(O)CCN MCULE-6836791276 [1,0,1,0,0,0|1,0,0]=3 2316 B5R0.1 CC(O)CCN MCULE-7186260925 [1,0,1,0,0,0|1,0,0]=3 2317 B5R0.1 CC(O)CCO MCULE-1694239851 [1,0,1,0,0,0|0,0,1]=3 2318 B5R0.1 CC(O)CCO MCULE-7784884948 [1,0,1,0,0,0|0,0,1]=3 2319 B5R0.1 CC(O)CNN MCULE-4956670781 [1,0,1,0,0,0|2,0,0]=4 2320 B5R0.1 CC(O)CNN MCULE-7917439573 [1,0,1,0,0,0|2,0,0]=4 2321 B5R0.1 CC(O)CON MCULE-1051091134 [1,0,1,0,0,0|2,0,0]=4 2322 B5R0.1 CC(O)CON MCULE-6722092589 [1,0,1,0,0,0|2,0,0]=4 2323 B5R0.1 CC(S)CCO MCULE-5702212503 [1,0,1,0,0,0|0,1,1]=4 2324 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,0,1,0,0,0|1,0,1]=4 2325 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,1,0,0,0|0,0,2]=4 2326 B5R0.1 CC=CC(C)C MCULE-9898453837 [1,0,1,0,0,0|1,0,0]=3 2327 B5R0.1 CC=CC(C)O MCULE-4806592836 [1,0,1,0,0,0|1,0,1]=4 2328 B5R0.1 CC=NN(C)C MCULE-7039280578 [1,0,1,0,0,0|2,0,0]=4 2329 B5R0.1 CCC=C(C)C MCULE-2405063894 [1,0,1,0,0,0|2,0,0]=4 2330 B5R0.1 CCCB(O)O MCULE-4994980798 [1,0,1,0,0,0|1,0,1]=4 2331 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,0,1,0,0,0|2,0,0]=4 2332 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,0,1,0,0,0|2,0,0]=4 2333 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,1,0,0,0|1,0,0]=3 2334 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,1,0,0,0|1,0,0]=3 2335 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,1,0,0,0|1,0,0]=3 2336 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,1,0,0,0|0,0,0]=2 2337 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,1,0,0,0|0,0,1]=3 2338 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,1,0,0,0|0,0,1]=3 2339 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,0,1,0,0,0|1,1,0]=4 2340 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,1,0,0,0|0,1,0]=3 2341 B5R0.1 CCCC(C)Br MCULE-3178073667 [1,0,1,0,0,0|1,0,1]=4 2342 B5R0.1 CCCC(C)C MCULE-9604552974 [1,0,1,0,0,0|1,0,1]=4 2343 B5R0.1 CCCC(C)N MCULE-2640298430 [1,0,1,0,0,0|1,0,1]=4 2344 B5R0.1 CCCC(C)N MCULE-7225905167 [1,0,1,0,0,0|1,0,1]=4 2345 B5R0.1 CCCC(C)O MCULE-8205906299 [1,0,1,0,0,0|0,0,1]=3 2346 B5R0.1 CCCC(C)S MCULE-1649095713 [1,0,1,0,0,0|0,1,1]=4 2347 B5R0.1 CCCC(O)Cl MCULE-3188577082 [1,0,1,0,0,0|1,0,1]=4 2348 B5R0.1 CCCN(=O)=O MCULE-5615753372 [1,0,1,0,0,0|1,0,1]=4 2349 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [1,0,1,0,0,0|1,0,1]=4 2350 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [1,0,1,0,0,0|1,0,1]=4 2351 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [1,0,1,0,0,0|1,0,1]=4 2352 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [1,0,1,0,0,0|1,0,1]=4 2353 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [1,0,1,0,0,0|1,0,1]=4 2354 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [1,0,1,0,0,0|1,0,1]=4 2355 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [1,0,1,0,0,0|0,0,1]=3 2356 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [1,0,1,0,0,0|1,0,1]=4 2357 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [1,0,1,0,0,0|1,0,1]=4 2358 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [1,0,1,0,0,0|1,0,1]=4 2359 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [1,0,1,0,0,0|1,0,1]=4 2360 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [1,0,1,0,0,0|0,0,1]=3 2361 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,1,0,0,0|1,0,0]=3 2362 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,1,0,0,0|2,0,0]=4 2363 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,1,0,0,0|2,0,0]=4 2364 B5R0.1 CCNC(C)C MCULE-8064118469 [1,0,1,0,0,0|1,0,1]=4 2365 B5R0.1 CCOC(=N)C MCULE-3060267072 [1,0,1,0,0,0|1,0,0]=3 2366 B5R0.1 CCOC(=N)C MCULE-3943786182 [1,0,1,0,0,0|1,0,0]=3 2367 B5R0.1 CCOC(=N)N MCULE-3570858508 [1,0,1,0,0,0|2,0,0]=4 2368 B5R0.1 CCOC(=N)N MCULE-6061063856 [1,0,1,0,0,0|2,0,0]=4 2369 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,1,0,0,0|0,0,0]=2 2370 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,0,1,0,0,0|1,0,0]=3 2371 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,1,0,0,0|1,0,0]=3 2372 B5R0.1 CCOC(=S)C MCULE-3358897597 [1,0,1,0,0,0|0,1,0]=3 2373 B5R0.1 CCOC(=S)N MCULE-4649285010 [1,0,1,0,0,0|1,1,0]=4 2374 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [1,0,1,0,0,0|1,1,0]=4 2375 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [1,0,1,0,0,0|1,1,0]=4 2376 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [1,0,1,0,0,0|1,1,0]=4 2377 B5R0.1 CCOC(C)C MCULE-1934548340 [1,0,1,0,0,0|0,0,1]=3 2378 B5R0.1 CCOC(C)Cl MCULE-8486994638 [1,0,1,0,0,0|1,0,1]=4 2379 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,1,0,0,0|0,1,0]=3 2380 B5R0.1 CCSC(=S)C MCULE-1502137460 [1,0,1,0,0,0|0,2,0]=4 2381 B5R0.1 CCSC(C)C MCULE-3738251898 [1,0,1,0,0,0|0,1,1]=4 2382 B5R0.1 CN(C)CC=O MCULE-1229218563 [1,0,1,0,0,0|2,0,0]=4 2383 B5R0.1 CN(C)CC=O MCULE-3577561950 [1,0,1,0,0,0|2,0,0]=4 2384 B5R0.1 CN(C)CC=O MCULE-4493766862 [1,0,1,0,0,0|2,0,0]=4 2385 B5R0.1 CN(C)CC=O MCULE-8123455398 [1,0,1,0,0,0|2,0,0]=4 2386 B5R0.1 CN(C)NC=O MCULE-1557896286 [1,0,1,0,0,0|2,0,0]=4 2387 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,1,0,0,0|2,0,0]=4 2388 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,1,0,0,0|2,0,0]=4 2389 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,1,0,0,0|2,0,0]=4 2390 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,1,0,0,0|2,0,0]=4 2391 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,1,0,0,0|2,0,0]=4 2392 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,0,1,0,0,0|1,0,0]=3 2393 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,0,1,0,0,0|1,0,0]=3 2394 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,0,1,0,0,0|1,0,1]=4 2395 B5R0.1 CNCC(C)C MCULE-6582386339 [1,0,1,0,0,0|2,0,0]=4 2396 B5R0.1 CNCC(C)C MCULE-6856717783 [1,0,1,0,0,0|2,0,0]=4 2397 B5R0.1 CNCC(C)O MCULE-3671071529 [1,0,1,0,0,0|1,0,1]=4 2398 B5R0.1 CNCC(C)O MCULE-4171705304 [1,0,1,0,0,0|1,0,1]=4 2399 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [1,0,1,0,0,0|1,0,1]=4 2400 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [1,0,1,0,0,0|1,0,1]=4 2401 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [1,0,1,0,0,0|1,0,1]=4 2402 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [1,0,1,0,0,0|1,0,1]=4 2403 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [1,0,1,0,0,0|1,0,1]=4 2404 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [1,0,1,0,0,0|1,0,1]=4 2405 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,0,1,0,0,0|1,0,0]=3 2406 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,0,1,0,0,0|1,0,0]=3 2407 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,1,0,0,0|2,0,0]=4 2408 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,0,1,0,0,0|2,0,0]=4 2409 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,1,0,0,0|2,0,0]=4 2410 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,1,0,0,0|1,0,0]=3 2411 B5R0.1 COCC(C)O MCULE-4022733014 [1,0,1,0,0,0|1,0,1]=4 2412 B5R0.1 COCC(C)O MCULE-7513310960 [1,0,1,0,0,0|1,0,1]=4 2413 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [1,0,1,0,0,0|1,0,1]=4 2414 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [1,0,1,0,0,0|1,0,1]=4 2415 B5R0.1 COC[C@H](C)O MCULE-5908531683 [1,0,1,0,0,0|1,0,1]=4 2416 B5R0.1 COC[C@H](C)O MCULE-8619138238 [1,0,1,0,0,0|1,0,1]=4 2417 B5R0.1 CONC(=O)C MCULE-6601866630 [1,0,1,0,0,0|2,0,0]=4 2418 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,1,0,0,0|2,0,0]=4 2419 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [1,0,1,0,0,0|2,0,0]=4 2420 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,1,0,0,0|2,0,0]=4 2421 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,0,1,0,0,0|1,0,0]=3 2422 B5R0.1 CSCC(C)O MCULE-2227652351 [1,0,1,0,0,0|1,0,1]=4 2423 B5R0.1 CSNC(=O)C MCULE-7350061514 [1,0,1,0,0,0|2,0,0]=4 2424 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [1,0,1,0,0,0|1,0,1]=4 2425 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [1,0,1,0,0,0|1,0,1]=4 2426 B5R0.1 C[C@@H](O)CC#N MCULE-2879004464 [1,0,1,0,0,0|1,0,1]=4 2427 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [1,0,1,0,0,0|1,0,0]=3 2428 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [1,0,1,0,0,0|1,0,0]=3 2429 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [1,0,1,0,0,0|1,0,0]=3 2430 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [1,0,1,0,0,0|1,0,0]=3 2431 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [1,0,1,0,0,0|0,0,1]=3 2432 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [1,0,1,0,0,0|0,0,1]=3 2433 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [1,0,1,0,0,0|2,0,0]=4 2434 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [1,0,1,0,0,0|2,0,0]=4 2435 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [1,0,1,0,0,0|1,0,1]=4 2436 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [1,0,1,0,0,0|1,0,1]=4 2437 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [1,0,1,0,0,0|1,0,1]=4 2438 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [1,0,1,0,0,0|1,0,1]=4 2439 B5R0.1 C[C@H](O)CC#N MCULE-1968982761 [1,0,1,0,0,0|1,0,1]=4 2440 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [1,0,1,0,0,0|1,0,0]=3 2441 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [1,0,1,0,0,0|1,0,0]=3 2442 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [1,0,1,0,0,0|0,0,1]=3 2443 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [1,0,1,0,0,0|0,0,1]=3 2444 B5R0.1 C[C@H](O)CON MCULE-4216605221 [1,0,1,0,0,0|2,0,0]=4 2445 B5R0.1 C[C@H](O)CON MCULE-9863094719 [1,0,1,0,0,0|2,0,0]=4 2446 B5R0.1 N#CCC(=O)O MCULE-3440765061 [1,0,1,0,0,0|1,0,1]=4 2447 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,1,0,0,0|2,0,0]=4 2448 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,1,0,0,0|2,0,0]=4 2449 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,1,0,0,0|2,0,0]=4 2450 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,1,0,0,0|2,0,0]=4 2451 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,1,0,0,0|2,0,0]=4 2452 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,1,0,0,0|2,0,0]=4 2453 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,1,0,0,0|2,0,0]=4 2454 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,1,0,0,0|1,0,0]=3 2455 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,1,0,0,0|1,0,0]=3 2456 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,1,0,0,0|1,0,0]=3 2457 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,1,0,0,0|1,0,1]=4 2458 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,0,1,0,0,0|2,0,0]=4 2459 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,0,1,0,0,0|2,0,0]=4 2460 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,0,1,0,0,0|2,0,0]=4 2461 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,0,1,0,0,0|2,0,0]=4 2462 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,0,1,0,0,0|2,0,0]=4 2463 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,0,1,0,0,0|2,0,0]=4 2464 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,0,1,0,0,0|2,0,0]=4 2465 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,0,1,0,0,0|2,0,0]=4 2466 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,0,1,0,0,0|2,0,0]=4 2467 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,0,1,0,0,0|2,0,0]=4 2468 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [1,0,1,0,0,0|2,0,0]=4 2469 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,1,0,0,0|1,0,0]=3 2470 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,1,0,0,0|1,0,0]=3 2471 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,1,0,0,0|1,0,0]=3 2472 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,1,0,0,0|1,0,0]=3 2473 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,1,0,0,0|1,0,0]=3 2474 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,1,0,0,0|1,0,0]=3 2475 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,0,1,0,0,0|2,0,0]=4 2476 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,1,0,0,0|1,0,1]=4 2477 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [1,0,1,0,0,0|0,0,1]=3 2478 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [1,0,1,0,0,0|1,0,1]=4 2479 B5R0.1 [C@H](C)(O)CC#N MCULE-6894178072 [1,0,1,0,0,0|1,0,1]=4 2480 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [1,0,1,0,0,0|0,0,1]=3 2481 B5R0.2 C#CCCC=O MCULE-9994552907 [1,0,1,0,0,0|0,0,2]=4 2482 B5R0.2 C#CCCCC MCULE-5706969297 [1,0,1,0,0,0|1,0,1]=4 2483 B5R0.2 C#CCCCO MCULE-6360852809 [1,0,1,0,0,0|1,0,1]=4 2484 B5R0.2 C/C=C/CCC MCULE-9851656818 [1,0,1,0,0,0|1,0,1]=4 2485 B5R0.2 C/C=C/CCO MCULE-3952855392 [1,0,1,0,0,0|1,0,1]=4 2486 B5R0.2 C/C=C/OCC MCULE-2891896400 [1,0,1,0,0,0|0,0,1]=3 2487 B5R0.2 C/C=C\CCC MCULE-1013657748 [1,0,1,0,0,0|1,0,1]=4 2488 B5R0.2 C=CCCC=O MCULE-7850336174 [1,0,1,0,0,0|0,0,2]=4 2489 B5R0.2 C=CCCCBr MCULE-5027518679 [1,0,1,0,0,0|2,0,0]=4 2490 B5R0.2 C=CCCCC MCULE-4750698031 [1,0,1,0,0,0|1,0,0]=3 2491 B5R0.2 C=CCCCCl MCULE-3877430809 [1,0,1,0,0,0|2,0,0]=4 2492 B5R0.2 C=CCCCI MCULE-8692831514 [1,0,1,0,0,0|2,0,0]=4 2493 B5R0.2 C=CCCCN MCULE-5787926547 [1,0,1,0,0,0|2,0,0]=4 2494 B5R0.2 C=CCCCN MCULE-7346989227 [1,0,1,0,0,0|2,0,0]=4 2495 B5R0.2 C=CCCCO MCULE-5946342321 [1,0,1,0,0,0|1,0,0]=3 2496 B5R0.2 C=CCCNC MCULE-2124263362 [1,0,1,0,0,0|2,0,0]=4 2497 B5R0.2 C=CCCNC MCULE-5024925990 [1,0,1,0,0,0|2,0,0]=4 2498 B5R0.2 C=CCCOC MCULE-4681354270 [1,0,1,0,0,0|2,0,0]=4 2499 B5R0.2 C=CCNCC MCULE-6987567673 [1,0,1,0,0,0|2,0,0]=4 2500 B5R0.2 C=CCNCC MCULE-8318544337 [1,0,1,0,0,0|2,0,0]=4 2501 B5R0.2 C=CCOC=O MCULE-4161785970 [1,0,1,0,0,0|0,0,2]=4 2502 B5R0.2 C=CCOCC MCULE-4363356618 [1,0,1,0,0,0|2,0,0]=4 2503 B5R0.2 C=CCSCC MCULE-3816911529 [1,0,1,0,0,0|2,0,0]=4 2504 B5R0.2 C=COCCC MCULE-4423853666 [1,0,1,0,0,0|1,0,0]=3 2505 B5R0.2 C=COCCCl MCULE-7782311030 [1,0,1,0,0,0|2,0,0]=4 2506 B5R0.2 C=COCCN MCULE-8052872924 [1,0,1,0,0,0|2,0,0]=4 2507 B5R0.2 C=COCCN MCULE-8496820259 [1,0,1,0,0,0|2,0,0]=4 2508 B5R0.2 C=COCCO MCULE-9383372818 [1,0,1,0,0,0|2,0,0]=4 2509 B5R0.2 CC#CCC=O MCULE-6071390808 [1,0,1,0,0,0|0,0,2]=4 2510 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,0,1,0,0,0|0,0,2]=4 2511 B5R0.2 CC/C=C/CC MCULE-6762040186 [1,0,1,0,0,0|1,0,0]=3 2512 B5R0.2 CC/C=C\CC MCULE-9418110460 [1,0,1,0,0,0|1,0,0]=3 2513 B5R0.2 CC/C=C\CO MCULE-5480473249 [1,0,1,0,0,0|2,0,0]=4 2514 B5R0.2 CC=CCCC MCULE-8736231124 [1,0,1,0,0,0|1,0,1]=4 2515 B5R0.2 CC=CCCO MCULE-4302367089 [1,0,1,0,0,0|1,0,1]=4 2516 B5R0.2 CC=COCC MCULE-1473170404 [1,0,1,0,0,0|0,0,1]=3 2517 B5R0.2 CCC#CC=O MCULE-3889262436 [1,0,1,0,0,0|0,0,2]=4 2518 B5R0.2 CCC#CCC MCULE-2027962178 [1,0,1,0,0,0|1,0,1]=4 2519 B5R0.2 CCC=CC=O MCULE-1318250395 [1,0,1,0,0,0|0,0,2]=4 2520 B5R0.2 CCC=CCBr MCULE-5326763881 [1,0,1,0,0,0|2,0,0]=4 2521 B5R0.2 CCC=CCC MCULE-5435957422 [1,0,1,0,0,0|1,0,0]=3 2522 B5R0.2 CCC=CCO MCULE-5633399984 [1,0,1,0,0,0|2,0,0]=4 2523 B5R0.2 CCCC=NO MCULE-7364375780 [1,0,1,0,0,0|1,0,1]=4 2524 B5R0.2 CCCCC#N MCULE-4015236167 [1,0,1,0,0,0|1,0,1]=4 2525 B5R0.2 CCCCC=O MCULE-4736782822 [1,0,1,0,0,0|0,0,0]=2 2526 B5R0.2 CCCCCBr MCULE-8513521912 [1,0,1,0,0,0|1,0,1]=4 2527 B5R0.2 CCCCCC MCULE-3465692202 [1,0,1,0,0,0|1,0,1]=4 2528 B5R0.2 CCCCCCl MCULE-4412759460 [1,0,1,0,0,0|1,0,1]=4 2529 B5R0.2 CCCCCF MCULE-6399883281 [1,0,1,0,0,0|1,0,1]=4 2530 B5R0.2 CCCCCI MCULE-4590300793 [1,0,1,0,0,0|1,0,1]=4 2531 B5R0.2 CCCCCN MCULE-3371742982 [1,0,1,0,0,0|1,0,1]=4 2532 B5R0.2 CCCCCN MCULE-4371067300 [1,0,1,0,0,0|1,0,1]=4 2533 B5R0.2 CCCCCN MCULE-6547961798 [1,0,1,0,0,0|1,0,1]=4 2534 B5R0.2 CCCCCN MCULE-7483248760 [1,0,1,0,0,0|1,0,1]=4 2535 B5R0.2 CCCCCO MCULE-8714292632 [1,0,1,0,0,0|0,0,1]=3 2536 B5R0.2 CCCCCS MCULE-5476379340 [1,0,1,0,0,0|0,1,1]=4 2537 B5R0.2 CCCCNC MCULE-9321610906 [1,0,1,0,0,0|2,0,0]=4 2538 B5R0.2 CCCCNN MCULE-6681305566 [1,0,1,0,0,0|2,0,0]=4 2539 B5R0.2 CCCCNN MCULE-6890760890 [1,0,1,0,0,0|2,0,0]=4 2540 B5R0.2 CCCCNN MCULE-7362497327 [1,0,1,0,0,0|2,0,0]=4 2541 B5R0.2 CCCCNN MCULE-8463623644 [1,0,1,0,0,0|2,0,0]=4 2542 B5R0.2 CCCCNO MCULE-1911206569 [1,0,1,0,0,0|1,0,0]=3 2543 B5R0.2 CCCCNO MCULE-3820646216 [1,0,1,0,0,0|1,0,0]=3 2544 B5R0.2 CCCCOC MCULE-9814272675 [1,0,1,0,0,0|2,0,0]=4 2545 B5R0.2 CCCCON MCULE-7582349983 [1,0,1,0,0,0|2,0,0]=4 2546 B5R0.2 CCCCON MCULE-8175627798 [1,0,1,0,0,0|2,0,0]=4 2547 B5R0.2 CCCCSC MCULE-2799775567 [1,0,1,0,0,0|2,0,0]=4 2548 B5R0.2 CCCN=C=O MCULE-9014468293 [1,0,1,0,0,0|1,0,1]=4 2549 B5R0.2 CCCNC=O MCULE-6344556391 [1,0,1,0,0,0|1,0,0]=3 2550 B5R0.2 CCCNCC MCULE-7948828264 [1,0,1,0,0,0|1,0,1]=4 2551 B5R0.2 CCCNCC MCULE-9107549207 [1,0,1,0,0,0|1,0,1]=4 2552 B5R0.2 CCCOC=O MCULE-3133604529 [1,0,1,0,0,0|0,0,0]=2 2553 B5R0.2 CCCOCBr MCULE-3585683043 [1,0,1,0,0,0|1,0,1]=4 2554 B5R0.2 CCCOCC MCULE-9971916790 [1,0,1,0,0,0|0,0,1]=3 2555 B5R0.2 CCCOCCl MCULE-1932627202 [1,0,1,0,0,0|1,0,1]=4 2556 B5R0.2 CCCSCC MCULE-4547385568 [1,0,1,0,0,0|0,1,1]=4 2557 B5R0.2 CCNCCO MCULE-2537734730 [1,0,1,0,0,0|1,0,1]=4 2558 B5R0.2 CCNCCO MCULE-3738714907 [1,0,1,0,0,0|1,0,1]=4 2559 B5R0.2 CCNNCC MCULE-4789314801 [1,0,1,0,0,0|2,0,0]=4 2560 B5R0.2 CCNNCC MCULE-9060220585 [1,0,1,0,0,0|2,0,0]=4 2561 B5R0.2 CCO/C=C\Br MCULE-7396084973 [1,0,1,0,0,0|1,0,1]=4 2562 B5R0.2 CCOC=CBr MCULE-5241125671 [1,0,1,0,0,0|1,0,1]=4 2563 B5R0.2 CCOCCBr MCULE-4818900555 [1,0,1,0,0,0|1,0,1]=4 2564 B5R0.2 CCOCCCl MCULE-1290576729 [1,0,1,0,0,0|1,0,1]=4 2565 B5R0.2 CCOCCI MCULE-1833092968 [1,0,1,0,0,0|1,0,1]=4 2566 B5R0.2 CCOCCN MCULE-1254431240 [1,0,1,0,0,0|1,0,1]=4 2567 B5R0.2 CCOCCN MCULE-4039110889 [1,0,1,0,0,0|1,0,1]=4 2568 B5R0.2 CCOCCN MCULE-4400456933 [1,0,1,0,0,0|1,0,1]=4 2569 B5R0.2 CCOCCO MCULE-4311513289 [1,0,1,0,0,0|1,0,1]=4 2570 B5R0.2 CCOCCS MCULE-3968740645 [1,0,1,0,0,0|1,0,1]=4 2571 B5R0.2 CCSCC=O MCULE-8069035019 [1,0,1,0,0,0|1,0,0]=3 2572 B5R0.2 CCSCCO MCULE-3557086162 [1,0,1,0,0,0|1,0,1]=4 2573 B5R0.2 CCSSCC MCULE-7989926475 [1,0,1,0,0,0|1,1,0]=4 2574 B5R0.2 CC[Se][Se]CC MCULE-2725282576 [1,0,1,0,0,0|1,1,0]=4 2575 B5R0.2 CNCCCO MCULE-9530478547 [1,0,1,0,0,0|1,0,1]=4 2576 B5R0.2 COCCC=O MCULE-2812117208 [1,0,1,0,0,0|1,0,0]=3 2577 B5R0.2 COCCCO MCULE-4041418048 [1,0,1,0,0,0|1,0,1]=4 2578 B5R0.2 CSCCC=O MCULE-6273241704 [1,0,1,0,0,0|1,0,0]=3 2579 B5R0.2 CSCCCO MCULE-9232413185 [1,0,1,0,0,0|1,0,1]=4 2580 B5R0.2 N#CCCC=O MCULE-9521735106 [1,0,1,0,0,0|1,0,1]=4 2581 B5R0.2 N#CCCCO MCULE-2108386837 [1,0,1,0,0,0|1,0,1]=4 2582 B5R0.2 N#CCOC=O MCULE-4453241991 [1,0,1,0,0,0|1,0,1]=4 2583 B5R0.2 NCCCCO MCULE-7395674091 [1,0,1,0,0,0|1,0,1]=4 2584 B5R0.2 NNCCCO MCULE-5557482626 [1,0,1,0,0,0|2,0,0]=4 2585 B5R0.2 NNCCCO MCULE-7351853032 [1,0,1,0,0,0|2,0,0]=4 2586 B5R0.2 NNCCCO MCULE-7919314403 [1,0,1,0,0,0|2,0,0]=4 2587 B5R0.2 NOCCCO MCULE-1072312935 [1,0,1,0,0,0|2,0,0]=4 2588 B5R0.2 NOCCCO MCULE-3715520109 [1,0,1,0,0,0|2,0,0]=4 2589 B5R0.2 O=CCCC=O MCULE-3362810468 [1,0,1,0,0,0|0,0,2]=4 2590 B5R0.2 O=CCCC=O MCULE-3813951568 [1,0,1,0,0,0|0,0,2]=4 2591 B5R0.2 O=CCCCBr MCULE-7239613396 [1,0,1,0,0,0|1,0,0]=3 2592 B5R0.2 O=CCCCCl MCULE-3011225716 [1,0,1,0,0,0|1,0,0]=3 2593 B5R0.2 O=CCCCI MCULE-3153720790 [1,0,1,0,0,0|1,0,0]=3 2594 B5R0.2 O=CCCCO MCULE-8728420992 [1,0,1,0,0,0|0,0,0]=2 2595 B5R0.2 O=CNCCO MCULE-3688614090 [1,0,1,0,0,0|1,0,0]=3 2596 B5R0.2 O=COCCO MCULE-1922672843 [1,0,1,0,0,0|1,0,0]=3 2597 B5R0.2 OC=CCCBr MCULE-3964604828 [1,0,1,0,0,0|1,0,1]=4 2598 B5R0.2 OC=CCCBr MCULE-5728835735 [1,0,1,0,0,0|1,0,1]=4 2599 B5R0.2 OCCCCBr MCULE-9231591925 [1,0,1,0,0,0|1,0,1]=4 2600 B5R0.2 OCCCCCl MCULE-3507644812 [1,0,1,0,0,0|1,0,1]=4 2601 B5R0.2 OCCCCF MCULE-9242285588 [1,0,1,0,0,0|1,0,1]=4 2602 B5R0.2 OCCCCI MCULE-8723720522 [1,0,1,0,0,0|1,0,1]=4 2603 B5R0.2 OCCCCO MCULE-2010022287 [1,0,1,0,0,0|0,0,2]=4 2604 B5R0.2 OCCCCO MCULE-6551106098 [1,0,1,0,0,0|0,0,2]=4 2605 B5R0.2 OCCCCS MCULE-8169490949 [1,0,1,0,0,0|0,1,1]=4 2606 B5R0.3 C#CC(=O)CC MCULE-1563732373 [1,0,1,0,0,0|0,0,2]=4 2607 B5R0.3 C#CC(=O)OC MCULE-5108326717 [1,0,1,0,0,0|0,0,2]=4 2608 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [1,0,1,0,0,0|1,0,1]=4 2609 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [1,0,1,0,0,0|0,0,2]=4 2610 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [1,0,1,0,0,0|1,0,1]=4 2611 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,0,1,0,0,0|0,0,2]=4 2612 B5R0.3 C=C(CC)CBr MCULE-1652422688 [1,0,1,0,0,0|2,0,0]=4 2613 B5R0.3 C=C(CC)CC MCULE-9174509622 [1,0,1,0,0,0|1,0,0]=3 2614 B5R0.3 C=C(CC)CN MCULE-2269385026 [1,0,1,0,0,0|2,0,0]=4 2615 B5R0.3 C=C(CC)CN MCULE-3033447984 [1,0,1,0,0,0|2,0,0]=4 2616 B5R0.3 C=C(CC)CO MCULE-8127766352 [1,0,1,0,0,0|2,0,0]=4 2617 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,0,1,0,0,0|0,0,2]=4 2618 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,0,1,0,0,0|0,0,2]=4 2619 B5R0.3 C=CC(C)CC MCULE-8112547661 [1,0,1,0,0,0|1,0,0]=3 2620 B5R0.3 C=CC(C)NC MCULE-1929679074 [1,0,1,0,0,0|2,0,0]=4 2621 B5R0.3 C=CC(C)NC MCULE-6382339452 [1,0,1,0,0,0|2,0,0]=4 2622 B5R0.3 C=CC(N)CC MCULE-6270835453 [1,0,1,0,0,0|2,0,0]=4 2623 B5R0.3 C=CC(N)CC MCULE-7920121163 [1,0,1,0,0,0|2,0,0]=4 2624 B5R0.3 C=CC(O)CC MCULE-2794806228 [1,0,1,0,0,0|2,0,0]=4 2625 B5R0.3 CC=C(C)C=O MCULE-9453566957 [1,0,1,0,0,0|0,0,2]=4 2626 B5R0.3 CC=C(C)CC MCULE-5790494157 [1,0,1,0,0,0|1,0,1]=4 2627 B5R0.3 CCC(=N)OC MCULE-4123543795 [1,0,1,0,0,0|1,0,0]=3 2628 B5R0.3 CCC(=N)OC MCULE-5346320805 [1,0,1,0,0,0|1,0,0]=3 2629 B5R0.3 CCC(=O)CBr MCULE-7825573294 [1,0,1,0,0,0|1,0,0]=3 2630 B5R0.3 CCC(=O)CC MCULE-8236549739 [1,0,1,0,0,0|0,0,0]=2 2631 B5R0.3 CCC(=O)CCl MCULE-9019890380 [1,0,1,0,0,0|1,0,0]=3 2632 B5R0.3 CCC(=O)CN MCULE-1863418812 [1,0,1,0,0,0|1,0,0]=3 2633 B5R0.3 CCC(=O)CN MCULE-5831164340 [1,0,1,0,0,0|1,0,0]=3 2634 B5R0.3 CCC(=O)CO MCULE-8674894820 [1,0,1,0,0,0|1,0,0]=3 2635 B5R0.3 CCC(=O)NC MCULE-5612060170 [1,0,1,0,0,0|1,0,0]=3 2636 B5R0.3 CCC(=O)NN MCULE-1803705917 [1,0,1,0,0,0|2,0,0]=4 2637 B5R0.3 CCC(=O)NO MCULE-1033164448 [1,0,1,0,0,0|2,0,0]=4 2638 B5R0.3 CCC(=O)OC MCULE-7384824725 [1,0,1,0,0,0|0,0,0]=2 2639 B5R0.3 CCC(=O)SC MCULE-9712192191 [1,0,1,0,0,0|0,1,0]=3 2640 B5R0.3 CCC(Br)C=O MCULE-3064952987 [1,0,1,0,0,0|1,0,0]=3 2641 B5R0.3 CCC(Br)CC MCULE-7435628721 [1,0,1,0,0,0|1,0,1]=4 2642 B5R0.3 CCC(C)C#N MCULE-6204122967 [1,0,1,0,0,0|1,0,1]=4 2643 B5R0.3 CCC(C)C=O MCULE-2523669899 [1,0,1,0,0,0|0,0,0]=2 2644 B5R0.3 CCC(C)CBr MCULE-5451416952 [1,0,1,0,0,0|1,0,1]=4 2645 B5R0.3 CCC(C)CC MCULE-2542807917 [1,0,1,0,0,0|1,0,1]=4 2646 B5R0.3 CCC(C)CCl MCULE-7450386476 [1,0,1,0,0,0|1,0,1]=4 2647 B5R0.3 CCC(C)CI MCULE-5444509280 [1,0,1,0,0,0|1,0,1]=4 2648 B5R0.3 CCC(C)CN MCULE-2777327284 [1,0,1,0,0,0|1,0,1]=4 2649 B5R0.3 CCC(C)CN MCULE-7014901600 [1,0,1,0,0,0|1,0,1]=4 2650 B5R0.3 CCC(C)CO MCULE-6521026296 [1,0,1,0,0,0|0,0,2]=4 2651 B5R0.3 CCC(C)CS MCULE-7795095685 [1,0,1,0,0,0|0,1,1]=4 2652 B5R0.3 CCC(C)NC MCULE-2676584804 [1,0,1,0,0,0|1,0,1]=4 2653 B5R0.3 CCC(C)NC MCULE-6158046887 [1,0,1,0,0,0|1,0,1]=4 2654 B5R0.3 CCC(C)NN MCULE-6074476998 [1,0,1,0,0,0|2,0,0]=4 2655 B5R0.3 CCC(C)NN MCULE-8130021960 [1,0,1,0,0,0|2,0,0]=4 2656 B5R0.3 CCC(C)NN MCULE-8519369369 [1,0,1,0,0,0|2,0,0]=4 2657 B5R0.3 CCC(C)NO MCULE-1247092627 [1,0,1,0,0,0|1,0,1]=4 2658 B5R0.3 CCC(C)NO MCULE-6169819668 [1,0,1,0,0,0|1,0,1]=4 2659 B5R0.3 CCC(C)OC MCULE-7354431606 [1,0,1,0,0,0|0,0,1]=3 2660 B5R0.3 CCC(C)ON MCULE-2907890438 [1,0,1,0,0,0|1,0,0]=3 2661 B5R0.3 CCC(C)ON MCULE-4364205813 [1,0,1,0,0,0|1,0,0]=3 2662 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [1,0,1,0,0,0|1,0,0]=3 2663 B5R0.3 CCC(I)CC MCULE-1119844552 [1,0,1,0,0,0|1,0,1]=4 2664 B5R0.3 CCC(N)CC MCULE-4261937519 [1,0,1,0,0,0|1,0,1]=4 2665 B5R0.3 CCC(N)CC MCULE-5899128891 [1,0,1,0,0,0|1,0,1]=4 2666 B5R0.3 CCC(O)CC MCULE-5553645045 [1,0,1,0,0,0|0,0,2]=4 2667 B5R0.3 CCC(S)CC MCULE-2556259434 [1,0,1,0,0,0|0,1,1]=4 2668 B5R0.3 CCN(C)C=O MCULE-2308681384 [1,0,1,0,0,0|1,0,0]=3 2669 B5R0.3 CCN(C)CC MCULE-7207964917 [1,0,1,0,0,0|2,0,0]=4 2670 B5R0.3 CCN(N)CC MCULE-9853386945 [1,0,1,0,0,0|2,0,0]=4 2671 B5R0.3 CCN(N)CC MCULE-9962617398 [1,0,1,0,0,0|2,0,0]=4 2672 B5R0.3 CCN(O)CC MCULE-6022935768 [1,0,1,0,0,0|1,0,1]=4 2673 B5R0.3 CCP(=O)CC MCULE-2216184595 [1,0,1,0,0,0|1,0,0]=3 2674 B5R0.3 CCP(Cl)CC MCULE-4484529264 [1,0,1,0,0,0|2,0,0]=4 2675 B5R0.3 CCS(=O)CC MCULE-5102735179 [1,0,1,0,0,0|1,0,0]=3 2676 B5R0.3 CC[C@@H](C)CBr MCULE-5675886072 [1,0,1,0,0,0|1,0,1]=4 2677 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [1,0,1,0,0,0|1,0,1]=4 2678 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [1,0,1,0,0,0|0,0,2]=4 2679 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [1,0,1,0,0,0|0,0,2]=4 2680 B5R0.3 CC[C@H](C)C#N MCULE-9118306872 [1,0,1,0,0,0|1,0,1]=4 2681 B5R0.3 CC[C@H](C)CBr MCULE-3263714447 [1,0,1,0,0,0|1,0,1]=4 2682 B5R0.3 CC[C@H](C)CBr MCULE-3384648570 [1,0,1,0,0,0|1,0,1]=4 2683 B5R0.3 CC[C@H](C)CCl MCULE-6795758745 [1,0,1,0,0,0|1,0,1]=4 2684 B5R0.3 CC[C@H](C)CCl MCULE-8147276830 [1,0,1,0,0,0|1,0,1]=4 2685 B5R0.3 CC[C@H](C)CI MCULE-9690776923 [1,0,1,0,0,0|1,0,1]=4 2686 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [1,0,1,0,0,0|1,0,1]=4 2687 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [1,0,1,0,0,0|1,0,1]=4 2688 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [1,0,1,0,0,0|1,0,1]=4 2689 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [1,0,1,0,0,0|1,0,1]=4 2690 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [1,0,1,0,0,0|0,0,2]=4 2691 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [1,0,1,0,0,0|0,0,2]=4 2692 B5R0.3 CNC(=O)CBr MCULE-1439209307 [1,0,1,0,0,0|2,0,0]=4 2693 B5R0.3 CNC(=O)CCl MCULE-1437904095 [1,0,1,0,0,0|2,0,0]=4 2694 B5R0.3 CNC(=O)CI MCULE-1687694185 [1,0,1,0,0,0|2,0,0]=4 2695 B5R0.3 CNC(=O)CN MCULE-1901033297 [1,0,1,0,0,0|2,0,0]=4 2696 B5R0.3 CNC(=O)CN MCULE-8532774234 [1,0,1,0,0,0|2,0,0]=4 2697 B5R0.3 CNC(=O)CO MCULE-5899226107 [1,0,1,0,0,0|2,0,0]=4 2698 B5R0.3 CNC(=O)CS MCULE-7032391129 [1,0,1,0,0,0|2,0,0]=4 2699 B5R0.3 CNC(=O)NC MCULE-5319497155 [1,0,1,0,0,0|2,0,0]=4 2700 B5R0.3 CNC(=O)OC MCULE-1162861376 [1,0,1,0,0,0|1,0,0]=3 2701 B5R0.3 COC(=N)CCl MCULE-2713131753 [1,0,1,0,0,0|2,0,0]=4 2702 B5R0.3 COC(=N)CCl MCULE-6471252676 [1,0,1,0,0,0|2,0,0]=4 2703 B5R0.3 COC(=O)C#N MCULE-8762838190 [1,0,1,0,0,0|1,0,1]=4 2704 B5R0.3 COC(=O)C=O MCULE-2685327079 [1,0,1,0,0,0|1,0,1]=4 2705 B5R0.3 COC(=O)CBr MCULE-2684954408 [1,0,1,0,0,0|1,0,0]=3 2706 B5R0.3 COC(=O)CCl MCULE-5886832940 [1,0,1,0,0,0|1,0,0]=3 2707 B5R0.3 COC(=O)CF MCULE-4367430175 [1,0,1,0,0,0|1,0,0]=3 2708 B5R0.3 COC(=O)CI MCULE-9545584156 [1,0,1,0,0,0|1,0,0]=3 2709 B5R0.3 COC(=O)CN MCULE-7462799100 [1,0,1,0,0,0|1,0,0]=3 2710 B5R0.3 COC(=O)CN MCULE-8887061469 [1,0,1,0,0,0|1,0,0]=3 2711 B5R0.3 COC(=O)CO MCULE-8734582763 [1,0,1,0,0,0|1,0,0]=3 2712 B5R0.3 COC(=O)CS MCULE-3020830180 [1,0,1,0,0,0|1,0,0]=3 2713 B5R0.3 COC(=O)NN MCULE-2637794839 [1,0,1,0,0,0|2,0,0]=4 2714 B5R0.3 COC(=O)OC MCULE-7488725621 [1,0,1,0,0,0|1,0,0]=3 2715 B5R0.3 COC(=O)SCl MCULE-1018411491 [1,0,1,0,0,0|2,0,0]=4 2716 B5R0.3 COC(=S)SC MCULE-7665194168 [1,0,1,0,0,0|1,1,0]=4 2717 B5R0.3 COC(C)CBr MCULE-6831960550 [1,0,1,0,0,0|1,0,1]=4 2718 B5R0.3 COC(C)CCl MCULE-6614968111 [1,0,1,0,0,0|1,0,1]=4 2719 B5R0.3 COC(C)CI MCULE-9561627722 [1,0,1,0,0,0|1,0,1]=4 2720 B5R0.3 COC(C)CN MCULE-1378513525 [1,0,1,0,0,0|1,0,1]=4 2721 B5R0.3 COC(C)CN MCULE-6114730248 [1,0,1,0,0,0|1,0,1]=4 2722 B5R0.3 COC(C)CN MCULE-7516064224 [1,0,1,0,0,0|1,0,1]=4 2723 B5R0.3 COC(C)CN MCULE-8277408054 [1,0,1,0,0,0|1,0,1]=4 2724 B5R0.3 COC(C)CO MCULE-5269990702 [1,0,1,0,0,0|1,0,1]=4 2725 B5R0.3 COC(C)CO MCULE-7173093332 [1,0,1,0,0,0|1,0,1]=4 2726 B5R0.3 COC(C)OC MCULE-8241616143 [1,0,1,0,0,0|1,0,1]=4 2727 B5R0.3 CON(C)C=O MCULE-6743121315 [1,0,1,0,0,0|2,0,0]=4 2728 B5R0.3 COS(=O)OC MCULE-9352053920 [1,0,1,0,0,0|2,0,0]=4 2729 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [1,0,1,0,0,0|1,0,1]=4 2730 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [1,0,1,0,0,0|1,0,1]=4 2731 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [1,0,1,0,0,0|1,0,1]=4 2732 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [1,0,1,0,0,0|1,0,1]=4 2733 B5R0.3 CO[C@@H](C)CO MCULE-5600457791 [1,0,1,0,0,0|1,0,1]=4 2734 B5R0.3 CO[C@@H](C)CO MCULE-7981152382 [1,0,1,0,0,0|1,0,1]=4 2735 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [1,0,1,0,0,0|1,0,1]=4 2736 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [1,0,1,0,0,0|1,0,1]=4 2737 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [1,0,1,0,0,0|1,0,1]=4 2738 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [1,0,1,0,0,0|1,0,1]=4 2739 B5R0.3 CO[C@H](C)CO MCULE-4211976708 [1,0,1,0,0,0|1,0,1]=4 2740 B5R0.3 CO[C@H](C)CO MCULE-7592020348 [1,0,1,0,0,0|1,0,1]=4 2741 B5R0.3 CSC(=O)SC MCULE-7167992573 [1,0,1,0,0,0|1,1,0]=4 2742 B5R0.3 NCC(=O)CN MCULE-2420991481 [1,0,1,0,0,0|2,0,0]=4 2743 B5R0.3 NCC(=O)CN MCULE-8626789745 [1,0,1,0,0,0|2,0,0]=4 2744 B5R0.3 O=C(CBr)CBr MCULE-5262523719 [1,0,1,0,0,0|2,0,0]=4 2745 B5R0.3 O=C(CCl)CCl MCULE-2048636813 [1,0,1,0,0,0|2,0,0]=4 2746 B5R0.3 O=C(CF)CF MCULE-8790300272 [1,0,1,0,0,0|2,0,0]=4 2747 B5R0.3 O=C(CO)CO MCULE-7188810449 [1,0,1,0,0,0|2,0,0]=4 2748 B5R0.3 O=CC(O)CO MCULE-9581740191 [1,0,1,0,0,0|2,0,0]=4 2749 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [1,0,1,0,0,0|2,0,0]=4 2750 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [1,0,1,0,0,0|2,0,0]=4 2751 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [1,0,1,0,0,0|2,0,0]=4 2752 B5R0.3 P(=O)(OC)OC MCULE-7918891029 [1,0,1,0,0,0|2,0,0]=4 2753 B5R1.1 B1CCOO1 MCULE-4859234466 [2,0,0,0,0,0|2,0,0]=4 2754 B5R1.1 C1=CCCC1 MCULE-8785635218 [2,0,0,0,0,0|1,0,0]=3 2755 B5R1.1 C1=CCNC1 MCULE-4645888757 [2,0,0,0,0,0|2,0,0]=4 2756 B5R1.1 C1=CCNC1 MCULE-7386427096 [2,0,0,0,0,0|2,0,0]=4 2757 B5R1.1 C1=CCOC1 MCULE-1252378718 [2,0,0,0,0,0|2,0,0]=4 2758 B5R1.1 C1=CCSC1 MCULE-7848219599 [2,0,0,0,0,0|2,0,0]=4 2759 B5R1.1 C1=COCC1 MCULE-7714726225 [2,0,0,0,0,0|0,0,1]=3 2760 B5R1.1 C1=NCCN1 MCULE-6281004177 [2,0,0,0,0,0|2,0,0]=4 2761 B5R1.1 C1=NNCC1 MCULE-2270087414 [2,0,0,0,0,0|2,0,0]=4 2762 B5R1.1 C1CCNC1 MCULE-2816679267 [2,0,0,0,0,0|1,0,1]=4 2763 B5R1.1 C1CCNC1 MCULE-8439725600 [2,0,0,0,0,0|1,0,1]=4 2764 B5R1.1 C1CCNC1 MCULE-8653165010 [2,0,0,0,0,0|1,0,1]=4 2765 B5R1.1 C1CCNC1 MCULE-9053007443 [2,0,0,0,0,0|1,0,1]=4 2766 B5R1.1 C1CCOC1 MCULE-3873245085 [2,0,0,0,0,0|0,0,1]=3 2767 B5R1.1 C1CCSC1 MCULE-4519380555 [2,0,0,0,0,0|0,1,1]=4 2768 B5R1.1 C1CNNC1 MCULE-9192384720 [2,0,0,0,0,0|2,0,0]=4 2769 B5R1.1 C1CNNC1 MCULE-9418244562 [2,0,0,0,0,0|2,0,0]=4 2770 B5R1.1 C1CNOC1 MCULE-3922840312 [2,0,0,0,0,0|1,0,0]=3 2771 B5R1.1 C1CNOC1 MCULE-6084499894 [2,0,0,0,0,0|1,0,0]=3 2772 B5R1.1 C1COCN1 MCULE-4693733872 [2,0,0,0,0,0|1,0,1]=4 2773 B5R1.1 C1COCO1 MCULE-3967810235 [2,0,0,0,0,0|1,0,1]=4 2774 B7R0.2 C#CC(=O)OC(C)C MCULE-2260869211 [0,1,1,0,0,0|0,0,2]=4 2775 B7R0.2 C=C(C)CC(C)CC MCULE-1001667584 [0,1,1,0,0,0|2,0,0]=4 2776 B7R0.2 C=CC(=O)OC(C)C MCULE-8852781082 [0,1,1,0,0,0|0,0,2]=4 2777 B7R0.2 C=CC(C)OC(=O)C MCULE-9221300039 [0,1,1,0,0,0|0,0,2]=4 2778 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [0,1,1,0,0,0|2,0,0]=4 2779 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [0,1,1,0,0,0|2,0,0]=4 2780 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [0,1,1,0,0,0|2,0,0]=4 2781 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [0,1,1,0,0,0|2,0,0]=4 2782 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [0,1,1,0,0,0|2,0,0]=4 2783 B7R0.2 CC(=O)OC(Br)CBr MCULE-7215936142 [0,1,1,0,0,0|2,0,0]=4 2784 B7R0.2 CC(C)CC(=O)CBr MCULE-3556695745 [0,1,1,0,0,0|2,0,0]=4 2785 B7R0.2 CC(C)CC(=O)CCl MCULE-6858533367 [0,1,1,0,0,0|2,0,0]=4 2786 B7R0.2 CC(C)CC(=O)CN MCULE-2435223768 [0,1,1,0,0,0|2,0,0]=4 2787 B7R0.2 CC(C)CC(=O)CN MCULE-7131454463 [0,1,1,0,0,0|2,0,0]=4 2788 B7R0.2 CC(C)NC(=O)CBr MCULE-1272363222 [0,1,1,0,0,0|2,0,0]=4 2789 B7R0.2 CC(C)NC(=O)CCl MCULE-8342964960 [0,1,1,0,0,0|2,0,0]=4 2790 B7R0.2 CC(C)NC(=O)CI MCULE-8316056040 [0,1,1,0,0,0|2,0,0]=4 2791 B7R0.2 CC(C)NC(=O)CN MCULE-7188824856 [0,1,1,0,0,0|2,0,0]=4 2792 B7R0.2 CC(C)NC(=O)CN MCULE-8867435369 [0,1,1,0,0,0|2,0,0]=4 2793 B7R0.2 CC(C)NC(=O)CO MCULE-5386700783 [0,1,1,0,0,0|2,0,0]=4 2794 B7R0.2 CC(C)OC(=O)CBr MCULE-1610339208 [0,1,1,0,0,0|1,0,0]=3 2795 B7R0.2 CC(C)OC(=O)CCl MCULE-3017211046 [0,1,1,0,0,0|1,0,0]=3 2796 B7R0.2 CC(C)OC(=O)CN MCULE-4475626262 [0,1,1,0,0,0|1,0,0]=3 2797 B7R0.2 CC(C)OC(=O)CN MCULE-5696337645 [0,1,1,0,0,0|1,0,0]=3 2798 B7R0.2 CC(C)OC(=O)CO MCULE-4694316703 [0,1,1,0,0,0|1,0,0]=3 2799 B7R0.2 CC(C)OC(=O)CS MCULE-5298940210 [0,1,1,0,0,0|1,0,0]=3 2800 B7R0.2 CC(C)OC(=O)NN MCULE-5311288998 [0,1,1,0,0,0|2,0,0]=4 2801 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [0,1,1,0,0,0|2,0,0]=4 2802 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [0,1,1,0,0,0|1,0,0]=3 2803 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,1,1,0,0,0|2,0,0]=4 2804 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,1,1,0,0,0|2,0,0]=4 2805 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,1,1,0,0,0|1,0,1]=4 2806 B7R0.2 CCC(=CC(C)C)C MCULE-7337557698 [0,1,1,0,0,0|2,0,0]=4 2807 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,1,1,0,0,0|1,0,1]=4 2808 B7R0.2 CCC(=O)CC(C)C MCULE-8378320990 [0,1,1,0,0,0|1,0,0]=3 2809 B7R0.2 CCC(=O)NC(C)C MCULE-3565002235 [0,1,1,0,0,0|1,0,0]=3 2810 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [0,1,1,0,0,0|0,0,1]=3 2811 B7R0.2 CCC(=O)OC(C)C MCULE-6546381101 [0,1,1,0,0,0|0,0,0]=2 2812 B7R0.2 CCC(C)CC(=N)N MCULE-6434778899 [0,1,1,0,0,0|2,0,0]=4 2813 B7R0.2 CCC(C)CC(=N)N MCULE-7964734356 [0,1,1,0,0,0|2,0,0]=4 2814 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [0,1,1,0,0,0|1,0,0]=3 2815 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [0,1,1,0,0,0|1,0,0]=3 2816 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,1,1,0,0,0|1,0,0]=3 2817 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,1,1,0,0,0|1,0,0]=3 2818 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,1,1,0,0,0|1,0,0]=3 2819 B7R0.2 CCC(C)NC(=S)N MCULE-8856391382 [0,1,1,0,0,0|1,1,0]=4 2820 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,1,1,0,0,0|0,0,0]=2 2821 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [0,1,1,0,0,0|0,0,0]=2 2822 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [0,1,1,0,0,0|0,1,0]=3 2823 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,1,1,0,0,0|2,0,0]=4 2824 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,1,1,0,0,0|2,0,0]=4 2825 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,1,1,0,0,0|2,0,0]=4 2826 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,1,1,0,0,0|2,0,0]=4 2827 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [0,1,1,0,0,0|2,0,0]=4 2828 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [0,1,1,0,0,0|2,0,0]=4 2829 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,1,1,0,0,0|2,0,0]=4 2830 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,1,1,0,0,0|1,0,0]=3 2831 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,1,1,0,0,0|1,0,0]=3 2832 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,1,1,0,0,0|2,0,0]=4 2833 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,1,1,0,0,0|2,0,0]=4 2834 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,1,1,0,0,0|2,0,0]=4 2835 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,1,1,0,0,0|2,0,0]=4 2836 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,1,1,0,0,0|1,0,0]=3 2837 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,1,1,0,0,0|1,0,0]=3 2838 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,1,1,0,0,0|2,0,0]=4 2839 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,1,1,0,0,0|2,0,0]=4 2840 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,1,1,0,0,0|2,0,0]=4 2841 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,1,1,0,0,0|2,0,0]=4 2842 B7R0.2 CNC(=O)CC(C)C MCULE-2303112628 [0,1,1,0,0,0|2,0,0]=4 2843 B7R0.2 CNC(=O)CC(C)N MCULE-7773306348 [0,1,1,0,0,0|2,0,0]=4 2844 B7R0.2 CNC(=O)CC(C)N MCULE-8658175271 [0,1,1,0,0,0|2,0,0]=4 2845 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [0,1,1,0,0,0|2,0,0]=4 2846 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [0,1,1,0,0,0|2,0,0]=4 2847 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,1,1,0,0,0|2,0,0]=4 2848 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,1,1,0,0,0|2,0,0]=4 2849 B7R0.2 COC(=O)CC(C)Br MCULE-4193147778 [0,1,1,0,0,0|2,0,0]=4 2850 B7R0.2 COC(=O)CC(C)C MCULE-2808202854 [0,1,1,0,0,0|2,0,0]=4 2851 B7R0.2 COC(=O)CC(C)Cl MCULE-2734734940 [0,1,1,0,0,0|2,0,0]=4 2852 B7R0.2 COC(=O)CC(C)N MCULE-2402304310 [0,1,1,0,0,0|2,0,0]=4 2853 B7R0.2 COC(=O)CC(C)N MCULE-3520358398 [0,1,1,0,0,0|2,0,0]=4 2854 B7R0.2 COC(=O)CC(C)N MCULE-4044567169 [0,1,1,0,0,0|2,0,0]=4 2855 B7R0.2 COC(=O)CC(C)N MCULE-5962991844 [0,1,1,0,0,0|2,0,0]=4 2856 B7R0.2 COC(=O)CC(C)O MCULE-7542131760 [0,1,1,0,0,0|2,0,0]=4 2857 B7R0.2 COC(=O)CC(C)O MCULE-7559608260 [0,1,1,0,0,0|2,0,0]=4 2858 B7R0.2 COC(=O)CC(C)S MCULE-8423856471 [0,1,1,0,0,0|2,0,0]=4 2859 B7R0.2 COC(=O)C[C@@H](C)N MCULE-1483636974 [0,1,1,0,0,0|2,0,0]=4 2860 B7R0.2 COC(=O)C[C@@H](C)N MCULE-4260923997 [0,1,1,0,0,0|2,0,0]=4 2861 B7R0.2 COC(=O)C[C@@H](C)N MCULE-6569883717 [0,1,1,0,0,0|2,0,0]=4 2862 B7R0.2 COC(=O)C[C@@H](C)N MCULE-9853158708 [0,1,1,0,0,0|2,0,0]=4 2863 B7R0.2 COC(=O)C[C@@H](C)O MCULE-1647366037 [0,1,1,0,0,0|2,0,0]=4 2864 B7R0.2 COC(=O)C[C@@H](C)O MCULE-7832771936 [0,1,1,0,0,0|2,0,0]=4 2865 B7R0.2 COC(=O)C[C@H](C)N MCULE-1385999778 [0,1,1,0,0,0|2,0,0]=4 2866 B7R0.2 COC(=O)C[C@H](C)N MCULE-1446150641 [0,1,1,0,0,0|2,0,0]=4 2867 B7R0.2 COC(=O)C[C@H](C)N MCULE-2979603570 [0,1,1,0,0,0|2,0,0]=4 2868 B7R0.2 COC(=O)C[C@H](C)N MCULE-7679126750 [0,1,1,0,0,0|2,0,0]=4 2869 B7R0.2 COC(=O)C[C@H](C)O MCULE-5154734951 [0,1,1,0,0,0|2,0,0]=4 2870 B7R0.2 COC(=O)C[C@H](C)O MCULE-7031738180 [0,1,1,0,0,0|2,0,0]=4 2871 B7R0.2 COC(=O)NC(C)C MCULE-4552685948 [0,1,1,0,0,0|2,0,0]=4 2872 B7R0.2 COC(=O)OC(C)C MCULE-4462394604 [0,1,1,0,0,0|1,0,0]=3 2873 B7R0.2 COC(=O)SC(C)C MCULE-9908884347 [0,1,1,0,0,0|1,1,0]=4 2874 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,1,1,0,0,0|2,0,0]=4 2875 B7R0.2 CSC(=O)CC(C)C MCULE-5433173038 [0,1,1,0,0,0|2,0,0]=4 2876 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,1,1,0,0,0|2,0,0]=4 2877 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,1,1,0,0,0|2,0,0]=4 2878 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,1,1,0,0,0|2,0,0]=4 2879 B7R0.3 C#CCNC(=O)CC MCULE-2258533582 [0,1,1,0,0,0|1,0,1]=4 2880 B7R0.3 C#CCOC(=O)CC MCULE-9368945481 [0,1,1,0,0,0|0,0,1]=3 2881 B7R0.3 C#CCOC(=O)OC MCULE-7912235498 [0,1,1,0,0,0|1,0,1]=4 2882 B7R0.3 C=C(CC)CCCC MCULE-5118701402 [0,1,1,0,0,0|2,0,0]=4 2883 B7R0.3 C=C(CCl)OCOC MCULE-3049043061 [0,1,1,0,0,0|2,0,0]=4 2884 B7R0.3 C=CC(=O)OCCBr MCULE-3258133915 [0,1,1,0,0,0|0,0,2]=4 2885 B7R0.3 C=CC(=O)OCCC MCULE-5292603407 [0,1,1,0,0,0|0,0,2]=4 2886 B7R0.3 C=CC(=O)OCCCl MCULE-6902160724 [0,1,1,0,0,0|0,0,2]=4 2887 B7R0.3 C=CC(=O)OCCF MCULE-6798260659 [0,1,1,0,0,0|0,0,2]=4 2888 B7R0.3 C=CC(=O)OCCN MCULE-9056583453 [0,1,1,0,0,0|0,0,2]=4 2889 B7R0.3 C=CC(=O)OCCO MCULE-3147939665 [0,1,1,0,0,0|0,0,2]=4 2890 B7R0.3 C=CCCC(=O)CC MCULE-7933484898 [0,1,1,0,0,0|1,0,1]=4 2891 B7R0.3 C=CCOC(=O)CBr MCULE-1915528510 [0,1,1,0,0,0|1,0,1]=4 2892 B7R0.3 C=CCOC(=O)CCl MCULE-4722834512 [0,1,1,0,0,0|1,0,1]=4 2893 B7R0.3 C=CCOC(=O)CI MCULE-1155914135 [0,1,1,0,0,0|1,0,1]=4 2894 B7R0.3 C=CCOC(=O)CN MCULE-2053601318 [0,1,1,0,0,0|1,0,1]=4 2895 B7R0.3 C=CCOC(=O)CN MCULE-8513191813 [0,1,1,0,0,0|1,0,1]=4 2896 B7R0.3 C=CCOC(=O)CS MCULE-3191036289 [0,1,1,0,0,0|1,0,1]=4 2897 B7R0.3 C=CCOC(=O)OC MCULE-9416609870 [0,1,1,0,0,0|1,0,1]=4 2898 B7R0.3 C=CCOC(C)CN MCULE-7634569955 [0,1,1,0,0,0|2,0,0]=4 2899 B7R0.3 C=CCO[C@@H](C)CN MCULE-4623222070 [0,1,1,0,0,0|2,0,0]=4 2900 B7R0.3 C=CCO[C@@H](C)CO MCULE-6699692288 [0,1,1,0,0,0|2,0,0]=4 2901 B7R0.3 CC/C=C/C(=O)OC MCULE-5661442711 [0,1,1,0,0,0|2,0,0]=4 2902 B7R0.3 CC/C=C/C(C)CC MCULE-2438890702 [0,1,1,0,0,0|2,0,0]=4 2903 B7R0.3 CC=CCC(C)CC MCULE-4817855750 [0,1,1,0,0,0|2,0,0]=4 2904 B7R0.3 CCC(=O)CCCBr MCULE-3298679210 [0,1,1,0,0,0|1,0,0]=3 2905 B7R0.3 CCC(=O)CCCCl MCULE-3397599793 [0,1,1,0,0,0|1,0,0]=3 2906 B7R0.3 CCC(=O)NCCN MCULE-3384406070 [0,1,1,0,0,0|1,0,0]=3 2907 B7R0.3 CCC(=O)NCCN MCULE-3992696592 [0,1,1,0,0,0|1,0,0]=3 2908 B7R0.3 CCC(=O)NCCN MCULE-4556462042 [0,1,1,0,0,0|1,0,0]=3 2909 B7R0.3 CCC(=O)NCCO MCULE-7351790148 [0,1,1,0,0,0|1,0,0]=3 2910 B7R0.3 CCC(=O)OCCCl MCULE-7825392065 [0,1,1,0,0,0|0,0,0]=2 2911 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [0,1,1,0,0,0|0,0,0]=2 2912 B7R0.3 CCC(=O)OCOC MCULE-8101176829 [0,1,1,0,0,0|0,0,0]=2 2913 B7R0.3 CCC(O)C=CC=O MCULE-4385008411 [0,1,1,0,0,0|2,0,0]=4 2914 B7R0.3 CCC=CC(=O)OC MCULE-2390679048 [0,1,1,0,0,0|2,0,0]=4 2915 B7R0.3 CCC=CC(C)CC MCULE-8910467842 [0,1,1,0,0,0|2,0,0]=4 2916 B7R0.3 CCCC=C(C)CC MCULE-4699949699 [0,1,1,0,0,0|2,0,0]=4 2917 B7R0.3 CCCCC(=O)CBr MCULE-5866288227 [0,1,1,0,0,0|2,0,0]=4 2918 B7R0.3 CCCCC(=O)CC MCULE-7758340382 [0,1,1,0,0,0|1,0,0]=3 2919 B7R0.3 CCCCC(=O)CCl MCULE-9673190063 [0,1,1,0,0,0|2,0,0]=4 2920 B7R0.3 CCCCC(=O)NC MCULE-6810865419 [0,1,1,0,0,0|2,0,0]=4 2921 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [0,1,1,0,0,0|2,0,0]=4 2922 B7R0.3 CCCNC(=O)CBr MCULE-3357000060 [0,1,1,0,0,0|2,0,0]=4 2923 B7R0.3 CCCNC(=O)CCl MCULE-3171078913 [0,1,1,0,0,0|2,0,0]=4 2924 B7R0.3 CCCNC(=O)CN MCULE-2964958967 [0,1,1,0,0,0|2,0,0]=4 2925 B7R0.3 CCCNC(=O)CN MCULE-4880764199 [0,1,1,0,0,0|2,0,0]=4 2926 B7R0.3 CCCOC(=O)CBr MCULE-9392658897 [0,1,1,0,0,0|1,0,0]=3 2927 B7R0.3 CCCOC(=O)CC MCULE-2749425161 [0,1,1,0,0,0|0,0,0]=2 2928 B7R0.3 CCCOC(=O)CCl MCULE-4900509903 [0,1,1,0,0,0|1,0,0]=3 2929 B7R0.3 CCCOC(=O)CN MCULE-5016724090 [0,1,1,0,0,0|1,0,0]=3 2930 B7R0.3 CCCOC(=O)CN MCULE-9899563764 [0,1,1,0,0,0|1,0,0]=3 2931 B7R0.3 CCCOC(=O)CS MCULE-7918412380 [0,1,1,0,0,0|1,0,0]=3 2932 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [0,1,1,0,0,0|1,0,0]=3 2933 B7R0.3 CCNCC(=O)NC MCULE-6292959559 [0,1,1,0,0,0|2,0,0]=4 2934 B7R0.3 CCNCC(=O)OC MCULE-7988488004 [0,1,1,0,0,0|2,0,0]=4 2935 B7R0.3 CCNCC(=O)OC MCULE-9483901468 [0,1,1,0,0,0|2,0,0]=4 2936 B7R0.3 CCOCC(=O)CCl MCULE-3495077500 [0,1,1,0,0,0|1,0,0]=3 2937 B7R0.3 CCOCC(=O)NN MCULE-1157330147 [0,1,1,0,0,0|2,0,0]=4 2938 B7R0.3 CCOCC(=O)NN MCULE-3371253482 [0,1,1,0,0,0|2,0,0]=4 2939 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [0,1,1,0,0,0|1,0,0]=3 2940 B7R0.3 CCOCC(N)CC MCULE-2793834769 [0,1,1,0,0,0|1,0,1]=4 2941 B7R0.3 CCOCC(N)CC MCULE-5142543434 [0,1,1,0,0,0|1,0,1]=4 2942 B7R0.3 CCONC(=O)CN MCULE-8014418978 [0,1,1,0,0,0|1,0,0]=3 2943 B7R0.3 CCONC(=O)CN MCULE-9229677559 [0,1,1,0,0,0|1,0,0]=3 2944 B7R0.3 CCSCC(=O)OC MCULE-2538182357 [0,1,1,0,0,0|1,1,0]=4 2945 B7R0.3 CNC(=O)CCCCl MCULE-9460684794 [0,1,1,0,0,0|2,0,0]=4 2946 B7R0.3 CNC(=O)CCCN MCULE-4766031038 [0,1,1,0,0,0|2,0,0]=4 2947 B7R0.3 CNC(=O)CCCN MCULE-8992476653 [0,1,1,0,0,0|2,0,0]=4 2948 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [0,1,1,0,0,0|2,0,0]=4 2949 B7R0.3 CNC(=O)CCOC MCULE-1263122933 [0,1,1,0,0,0|2,0,0]=4 2950 B7R0.3 CNC(=O)NCCN MCULE-4075769099 [0,1,1,0,0,0|2,0,0]=4 2951 B7R0.3 CNC(=O)NCCN MCULE-9668937902 [0,1,1,0,0,0|2,0,0]=4 2952 B7R0.3 CNC(=O)NCCO MCULE-7936045962 [0,1,1,0,0,0|2,0,0]=4 2953 B7R0.3 CNC(=O)OCCCl MCULE-9946450406 [0,1,1,0,0,0|1,0,0]=3 2954 B7R0.3 CNC(=O)OCCO MCULE-7181085118 [0,1,1,0,0,0|1,0,0]=3 2955 B7R0.3 CNCCC(=O)NC MCULE-1793457920 [0,1,1,0,0,0|2,0,0]=4 2956 B7R0.3 CNCCC(=O)NC MCULE-7089073664 [0,1,1,0,0,0|2,0,0]=4 2957 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [0,1,1,0,0,0|2,0,0]=4 2958 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [0,1,1,0,0,0|2,0,0]=4 2959 B7R0.3 CNOCC(=O)OC MCULE-1491246414 [0,1,1,0,0,0|2,0,0]=4 2960 B7R0.3 CNOCC(=O)OC MCULE-2119135006 [0,1,1,0,0,0|2,0,0]=4 2961 B7R0.3 COC(=O)CCCBr MCULE-3856139347 [0,1,1,0,0,0|2,0,0]=4 2962 B7R0.3 COC(=O)CCCCl MCULE-9725150748 [0,1,1,0,0,0|2,0,0]=4 2963 B7R0.3 COC(=O)CCCI MCULE-6607823615 [0,1,1,0,0,0|2,0,0]=4 2964 B7R0.3 COC(=O)CCCN MCULE-2399653885 [0,1,1,0,0,0|2,0,0]=4 2965 B7R0.3 COC(=O)CCCN MCULE-7745643244 [0,1,1,0,0,0|2,0,0]=4 2966 B7R0.3 COC(=O)CCCO MCULE-6149839873 [0,1,1,0,0,0|2,0,0]=4 2967 B7R0.3 COC(=O)CCCS MCULE-6897052882 [0,1,1,0,0,0|2,0,0]=4 2968 B7R0.3 COC(=O)CCSC MCULE-8525618169 [0,1,1,0,0,0|2,0,0]=4 2969 B7R0.3 COC(=O)NCCN MCULE-4816806580 [0,1,1,0,0,0|2,0,0]=4 2970 B7R0.3 COC(=O)NCCN MCULE-9765640123 [0,1,1,0,0,0|2,0,0]=4 2971 B7R0.3 COC(=O)NCCO MCULE-7141835204 [0,1,1,0,0,0|2,0,0]=4 2972 B7R0.3 COCCC(=O)CCl MCULE-2918704994 [0,1,1,0,0,0|2,0,0]=4 2973 B7R0.3 COCCC(=O)OC MCULE-5918489580 [0,1,1,0,0,0|2,0,0]=4 2974 B7R0.3 NCC(=O)NCCF MCULE-1969796129 [0,1,1,0,0,0|2,0,0]=4 2975 B7R0.3 NCC(=O)NCCF MCULE-9924478230 [0,1,1,0,0,0|2,0,0]=4 2976 B7R0.3 NCC(=O)NCCO MCULE-3809178129 [0,1,1,0,0,0|2,0,0]=4 2977 B7R0.3 NCC(=O)NCCO MCULE-7057019123 [0,1,1,0,0,0|2,0,0]=4 2978 B7R0.3 NCC(=O)OCCCl MCULE-7924059164 [0,1,1,0,0,0|1,0,0]=3 2979 B7R0.3 NCC(=O)OCCCl MCULE-9260214783 [0,1,1,0,0,0|1,0,0]=3 2980 B7R0.3 NCCNC(=O)CCl MCULE-6059411085 [0,1,1,0,0,0|2,0,0]=4 2981 B7R0.3 NCCNC(=O)CCl MCULE-7545329795 [0,1,1,0,0,0|2,0,0]=4 2982 B7R0.3 NNC(=O)OCCCl MCULE-1796161427 [0,1,1,0,0,0|2,0,0]=4 2983 B7R0.3 NNC(=O)OCCCl MCULE-3977269565 [0,1,1,0,0,0|2,0,0]=4 2984 B7R0.3 NNC(=O)OCCO MCULE-9375766063 [0,1,1,0,0,0|2,0,0]=4 2985 B7R0.3 O=C(CCl)CCCCl MCULE-2362491395 [0,1,1,0,0,0|2,0,0]=4 2986 B7R0.3 O=C(CCl)NCCCl MCULE-2029189763 [0,1,1,0,0,0|2,0,0]=4 2987 B7R0.3 O=C(CCl)NCCO MCULE-2803332455 [0,1,1,0,0,0|2,0,0]=4 2988 B7R0.3 O=C(CCl)OCCCl MCULE-7706105725 [0,1,1,0,0,0|1,0,0]=3 2989 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [0,1,1,0,0,0|2,0,0]=4 2990 B7R0.5 C=C(Br)C(=O)OCC MCULE-3441307956 [0,1,1,0,0,0|0,0,2]=4 2991 B7R0.5 C=C(C)C(=O)OCC MCULE-9496497565 [0,1,1,0,0,0|0,0,1]=3 2992 B7R0.5 C=CCC(C)C(C)C MCULE-8461199830 [0,1,1,0,0,0|2,0,0]=4 2993 B7R0.5 CC(C)C(=O)CCN MCULE-1638964690 [0,1,1,0,0,0|2,0,0]=4 2994 B7R0.5 CC(C)C(=O)CCN MCULE-5188027669 [0,1,1,0,0,0|2,0,0]=4 2995 B7R0.5 CC(C)C(=O)NCO MCULE-4279406951 [0,1,1,0,0,0|2,0,0]=4 2996 B7R0.5 CC(C)C(=O)OCBr MCULE-3276711258 [0,1,1,0,0,0|1,0,0]=3 2997 B7R0.5 CC(C)C(=O)OCCl MCULE-2226037128 [0,1,1,0,0,0|1,0,0]=3 2998 B7R0.5 CC(C)C(C)N=C=O MCULE-2911676446 [0,1,1,0,0,0|1,0,1]=4 2999 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [0,1,1,0,0,0|1,0,1]=4 3000 B7R0.5 CCCC(=O)C(C)Br MCULE-8743472868 [0,1,1,0,0,0|1,0,0]=3 3001 B7R0.5 CCCC(=O)C(C)C MCULE-7690543374 [0,1,1,0,0,0|1,0,0]=3 3002 B7R0.5 CCCC(=O)N(C)C MCULE-8154537620 [0,1,1,0,0,0|2,0,0]=4 3003 B7R0.5 CCNC(=O)C(C)Br MCULE-4342500989 [0,1,1,0,0,0|1,0,0]=3 3004 B7R0.5 CCNC(=O)C(C)Cl MCULE-2094375104 [0,1,1,0,0,0|1,0,0]=3 3005 B7R0.5 CCNC(=O)C(C)N MCULE-7767946644 [0,1,1,0,0,0|1,0,0]=3 3006 B7R0.5 CCNC(=O)C(C)N MCULE-8324775088 [0,1,1,0,0,0|1,0,0]=3 3007 B7R0.5 CCNC(=O)C(C)N MCULE-9028977052 [0,1,1,0,0,0|1,0,0]=3 3008 B7R0.5 CCNC(=O)N(C)N MCULE-4378383472 [0,1,1,0,0,0|2,0,0]=4 3009 B7R0.5 CCNC(=O)[C@H](C)N MCULE-1043080386 [0,1,1,0,0,0|1,0,0]=3 3010 B7R0.5 CCNC(=O)[C@H](C)O MCULE-9098995292 [0,1,1,0,0,0|1,0,0]=3 3011 B7R0.5 CCOC(=N)C(C)C MCULE-3425518673 [0,1,1,0,0,0|1,0,0]=3 3012 B7R0.5 CCOC(=N)C(C)C MCULE-9982777491 [0,1,1,0,0,0|1,0,0]=3 3013 B7R0.5 CCOC(=N)C(C)O MCULE-4906645723 [0,1,1,0,0,0|1,0,0]=3 3014 B7R0.5 CCOC(=N)C(C)O MCULE-6342692176 [0,1,1,0,0,0|1,0,0]=3 3015 B7R0.5 CCOC(=N)C(F)F MCULE-5998423176 [0,1,1,0,0,0|2,0,0]=4 3016 B7R0.5 CCOC(=O)C(=N)N MCULE-4853735680 [0,1,1,0,0,0|1,0,1]=4 3017 B7R0.5 CCOC(=O)C(=N)N MCULE-9212797796 [0,1,1,0,0,0|1,0,1]=4 3018 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [0,1,1,0,0,0|0,0,1]=3 3019 B7R0.5 CCOC(=O)C(=O)Cl MCULE-6454421959 [0,1,1,0,0,0|1,0,1]=4 3020 B7R0.5 CCOC(=O)C(=O)N MCULE-2968497645 [0,1,1,0,0,0|1,0,1]=4 3021 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,1,1,0,0,0|1,0,1]=4 3022 B7R0.5 CCOC(=O)C(=O)[O-] MCULE-1807862684 [0,1,1,0,0,0|1,0,1]=4 3023 B7R0.5 CCOC(=O)C(=S)N MCULE-3285821799 [0,1,1,0,0,0|1,0,1]=4 3024 B7R0.5 CCOC(=O)C(Br)Br MCULE-8701615311 [0,1,1,0,0,0|1,0,0]=3 3025 B7R0.5 CCOC(=O)C(C)Br MCULE-3184697988 [0,1,1,0,0,0|0,0,0]=2 3026 B7R0.5 CCOC(=O)C(C)C MCULE-7190269066 [0,1,1,0,0,0|0,0,0]=2 3027 B7R0.5 CCOC(=O)C(C)Cl MCULE-8192833024 [0,1,1,0,0,0|0,0,0]=2 3028 B7R0.5 CCOC(=O)C(C)F MCULE-5743308430 [0,1,1,0,0,0|0,0,0]=2 3029 B7R0.5 CCOC(=O)C(C)I MCULE-5895787216 [0,1,1,0,0,0|0,0,0]=2 3030 B7R0.5 CCOC(=O)C(C)N MCULE-1694144423 [0,1,1,0,0,0|0,0,0]=2 3031 B7R0.5 CCOC(=O)C(C)N MCULE-4073874506 [0,1,1,0,0,0|0,0,0]=2 3032 B7R0.5 CCOC(=O)C(C)N MCULE-4082731166 [0,1,1,0,0,0|0,0,0]=2 3033 B7R0.5 CCOC(=O)C(C)N MCULE-5175870607 [0,1,1,0,0,0|0,0,0]=2 3034 B7R0.5 CCOC(=O)C(C)O MCULE-8057202883 [0,1,1,0,0,0|0,0,0]=2 3035 B7R0.5 CCOC(=O)C(C)O MCULE-9679398205 [0,1,1,0,0,0|0,0,0]=2 3036 B7R0.5 CCOC(=O)C(C)S MCULE-7890942953 [0,1,1,0,0,0|0,0,0]=2 3037 B7R0.5 CCOC(=O)C(Cl)Cl MCULE-3838429635 [0,1,1,0,0,0|1,0,0]=3 3038 B7R0.5 CCOC(=O)C(F)Br MCULE-5661791694 [0,1,1,0,0,0|1,0,0]=3 3039 B7R0.5 CCOC(=O)C(F)Cl MCULE-4260692293 [0,1,1,0,0,0|1,0,0]=3 3040 B7R0.5 CCOC(=O)C(F)F MCULE-6388513707 [0,1,1,0,0,0|1,0,0]=3 3041 B7R0.5 CCOC(=O)C(F)I MCULE-4681224874 [0,1,1,0,0,0|1,0,0]=3 3042 B7R0.5 CCOC(=O)N(C)C MCULE-8344568471 [0,1,1,0,0,0|1,0,0]=3 3043 B7R0.5 CCOC(=O)N(C)N MCULE-3043289486 [0,1,1,0,0,0|1,0,0]=3 3044 B7R0.5 CCOC(=O)N(Cl)Cl MCULE-5524945489 [0,1,1,0,0,0|2,0,0]=4 3045 B7R0.5 CCOC(=O)[C@@H](C)F MCULE-1032359164 [0,1,1,0,0,0|0,0,0]=2 3046 B7R0.5 CCOC(=O)[C@@H](C)F MCULE-1087923626 [0,1,1,0,0,0|0,0,0]=2 3047 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-1553164105 [0,1,1,0,0,0|0,0,0]=2 3048 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-2294196196 [0,1,1,0,0,0|0,0,0]=2 3049 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-4613491627 [0,1,1,0,0,0|0,0,0]=2 3050 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-8190900780 [0,1,1,0,0,0|0,0,0]=2 3051 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-3372948910 [0,1,1,0,0,0|0,0,0]=2 3052 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-5795033916 [0,1,1,0,0,0|0,0,0]=2 3053 B7R0.5 CCOC(=O)[C@H](C)F MCULE-3258014155 [0,1,1,0,0,0|0,0,0]=2 3054 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4397919899 [0,1,1,0,0,0|0,0,0]=2 3055 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4404274511 [0,1,1,0,0,0|0,0,0]=2 3056 B7R0.5 CCOC(=O)[C@H](C)N MCULE-7626045082 [0,1,1,0,0,0|0,0,0]=2 3057 B7R0.5 CCOC(=O)[C@H](C)N MCULE-8333235087 [0,1,1,0,0,0|0,0,0]=2 3058 B7R0.5 CCOC(=O)[C@H](C)O MCULE-4333545760 [0,1,1,0,0,0|0,0,0]=2 3059 B7R0.5 CCOC(=O)[C@H](C)O MCULE-8787861948 [0,1,1,0,0,0|0,0,0]=2 3060 B7R0.5 CCOC(Cl)C(C)Cl MCULE-8602425289 [0,1,1,0,0,0|1,0,1]=4 3061 B7R0.5 CCSC(=O)C(C)N MCULE-3205133332 [0,1,1,0,0,0|0,1,0]=3 3062 B7R0.5 CCSC(=O)C(C)N MCULE-4228316337 [0,1,1,0,0,0|0,1,0]=3 3063 B7R0.5 CCSC(=O)[C@H](C)N MCULE-3136283874 [0,1,1,0,0,0|0,1,0]=3 3064 B7R0.5 CCSC(=O)[C@H](C)N MCULE-7218618193 [0,1,1,0,0,0|0,1,0]=3 3065 B7R0.5 CCSC(=O)[C@H](C)N MCULE-8421179745 [0,1,1,0,0,0|0,1,0]=3 3066 B7R0.5 CCSC(=O)[C@H](C)N MCULE-9872171069 [0,1,1,0,0,0|0,1,0]=3 3067 B7R0.5 CN(C)C(=O)OCCl MCULE-5918090090 [0,1,1,0,0,0|2,0,0]=4 3068 B7R0.5 COCC(=O)C(C)C MCULE-8251961368 [0,1,1,0,0,0|2,0,0]=4 3069 B7R0.7 C#CCC(=O)OCC MCULE-2012473321 [0,1,1,0,0,0|0,0,1]=3 3070 B7R0.7 C/C=C/C(=O)OCC MCULE-8433823264 [0,1,1,0,0,0|0,0,1]=3 3071 B7R0.7 C=C(CCC)CCO MCULE-1774943854 [0,1,1,0,0,0|2,0,0]=4 3072 B7R0.7 C=C(OCC)OCC MCULE-5191107236 [0,1,1,0,0,0|1,0,0]=3 3073 B7R0.7 C=C=CC(=O)OCC MCULE-9108726418 [0,1,1,0,0,0|0,0,2]=4 3074 B7R0.7 C=CCC(=O)OCC MCULE-2006542536 [0,1,1,0,0,0|0,0,1]=3 3075 B7R0.7 C=COC(=O)CCC MCULE-2764567967 [0,1,1,0,0,0|0,0,2]=4 3076 B7R0.7 CC#CC(=O)OCC MCULE-3358315498 [0,1,1,0,0,0|0,0,1]=3 3077 B7R0.7 CC=CC(=O)OCC MCULE-1904771513 [0,1,1,0,0,0|0,0,1]=3 3078 B7R0.7 CCCC(=N)OCC MCULE-5551107242 [0,1,1,0,0,0|1,0,0]=3 3079 B7R0.7 CCCC(=N)OCC MCULE-7790310067 [0,1,1,0,0,0|1,0,0]=3 3080 B7R0.7 CCCC(=O)CC#N MCULE-7580308812 [0,1,1,0,0,0|1,0,1]=4 3081 B7R0.7 CCCC(=O)CCC MCULE-1621649928 [0,1,1,0,0,0|1,0,0]=3 3082 B7R0.7 CCCC(=O)OCC MCULE-9977024136 [0,1,1,0,0,0|0,0,0]=2 3083 B7R0.7 CCCC(=O)OCCl MCULE-5186069317 [0,1,1,0,0,0|1,0,0]=3 3084 B7R0.7 CCCC(C)N=C=O MCULE-9843542105 [0,1,1,0,0,0|1,0,1]=4 3085 B7R0.7 CCCC(C)OCC MCULE-2678814077 [0,1,1,0,0,0|1,0,1]=4 3086 B7R0.7 CCNC(=O)CC#N MCULE-4756290560 [0,1,1,0,0,0|1,0,1]=4 3087 B7R0.7 CCNC(=O)CCCl MCULE-3246776319 [0,1,1,0,0,0|1,0,0]=3 3088 B7R0.7 CCNC(=O)CCN MCULE-2856252531 [0,1,1,0,0,0|1,0,0]=3 3089 B7R0.7 CCNC(=O)CCN MCULE-3929666209 [0,1,1,0,0,0|1,0,0]=3 3090 B7R0.7 CCNC(=O)CCO MCULE-3624072697 [0,1,1,0,0,0|1,0,0]=3 3091 B7R0.7 CCNC(=O)CNC MCULE-1939824251 [0,1,1,0,0,0|1,0,0]=3 3092 B7R0.7 CCNC(=O)CNC MCULE-2815515396 [0,1,1,0,0,0|1,0,0]=3 3093 B7R0.7 CCNC(=O)NCC MCULE-2253571388 [0,1,1,0,0,0|1,0,0]=3 3094 B7R0.7 CCNC(=O)OCC MCULE-3910060770 [0,1,1,0,0,0|0,0,0]=2 3095 B7R0.7 CCNC(=S)NCC MCULE-8237270311 [0,1,1,0,0,0|1,1,0]=4 3096 B7R0.7 CCOC(=N)CC#N MCULE-3997647151 [0,1,1,0,0,0|1,0,1]=4 3097 B7R0.7 CCOC(=N)CC#N MCULE-6574650764 [0,1,1,0,0,0|1,0,1]=4 3098 B7R0.7 CCOC(=N)CCCl MCULE-3462649487 [0,1,1,0,0,0|1,0,0]=3 3099 B7R0.7 CCOC(=N)CCCl MCULE-7130199135 [0,1,1,0,0,0|1,0,0]=3 3100 B7R0.7 CCOC(=N)CCO MCULE-8135932013 [0,1,1,0,0,0|1,0,0]=3 3101 B7R0.7 CCOC(=N)CCO MCULE-9125708150 [0,1,1,0,0,0|1,0,0]=3 3102 B7R0.7 CCOC(=N)COC MCULE-1358920023 [0,1,1,0,0,0|1,0,0]=3 3103 B7R0.7 CCOC(=N)COC MCULE-8494947544 [0,1,1,0,0,0|1,0,0]=3 3104 B7R0.7 CCOC(=O)/C=C/I MCULE-4105665503 [0,1,1,0,0,0|0,0,2]=4 3105 B7R0.7 CCOC(=O)/C=C/O MCULE-1984925411 [0,1,1,0,0,0|0,0,2]=4 3106 B7R0.7 CCOC(=O)/C=C/[O-] MCULE-5625833261 [0,1,1,0,0,0|0,0,2]=4 3107 B7R0.7 CCOC(=O)/C=C\Br MCULE-7525620721 [0,1,1,0,0,0|0,0,2]=4 3108 B7R0.7 CCOC(=O)/C=C\I MCULE-4741067503 [0,1,1,0,0,0|0,0,2]=4 3109 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [0,1,1,0,0,0|0,0,2]=4 3110 B7R0.7 CCOC(=O)C#CBr MCULE-5306962165 [0,1,1,0,0,0|0,0,2]=4 3111 B7R0.7 CCOC(=O)C=CBr MCULE-3778834856 [0,1,1,0,0,0|0,0,2]=4 3112 B7R0.7 CCOC(=O)C=CI MCULE-9930784067 [0,1,1,0,0,0|0,0,2]=4 3113 B7R0.7 CCOC(=O)C=CO MCULE-2570791221 [0,1,1,0,0,0|0,0,2]=4 3114 B7R0.7 CCOC(=O)C=C[O-] MCULE-8425740727 [0,1,1,0,0,0|0,0,2]=4 3115 B7R0.7 CCOC(=O)C=NN MCULE-5132323904 [0,1,1,0,0,0|1,0,1]=4 3116 B7R0.7 CCOC(=O)C=NN MCULE-5899717314 [0,1,1,0,0,0|1,0,1]=4 3117 B7R0.7 CCOC(=O)C=NO MCULE-8888029932 [0,1,1,0,0,0|1,0,1]=4 3118 B7R0.7 CCOC(=O)CC#N MCULE-3161671261 [0,1,1,0,0,0|0,0,1]=3 3119 B7R0.7 CCOC(=O)CC=O MCULE-5042552247 [0,1,1,0,0,0|0,0,1]=3 3120 B7R0.7 CCOC(=O)CCBr MCULE-1898467026 [0,1,1,0,0,0|0,0,0]=2 3121 B7R0.7 CCOC(=O)CCCl MCULE-2623656770 [0,1,1,0,0,0|0,0,0]=2 3122 B7R0.7 CCOC(=O)CCI MCULE-9651397551 [0,1,1,0,0,0|0,0,0]=2 3123 B7R0.7 CCOC(=O)CCN MCULE-4383008445 [0,1,1,0,0,0|0,0,0]=2 3124 B7R0.7 CCOC(=O)CCN MCULE-6873709061 [0,1,1,0,0,0|0,0,0]=2 3125 B7R0.7 CCOC(=O)CCO MCULE-3972081033 [0,1,1,0,0,0|0,0,0]=2 3126 B7R0.7 CCOC(=O)CCS MCULE-3955367746 [0,1,1,0,0,0|0,0,0]=2 3127 B7R0.7 CCOC(=O)CNC MCULE-3219895330 [0,1,1,0,0,0|0,0,0]=2 3128 B7R0.7 CCOC(=O)CNC MCULE-6164649520 [0,1,1,0,0,0|0,0,0]=2 3129 B7R0.7 CCOC(=O)CNN MCULE-2832319636 [0,1,1,0,0,0|1,0,0]=3 3130 B7R0.7 CCOC(=O)CNN MCULE-3479623348 [0,1,1,0,0,0|1,0,0]=3 3131 B7R0.7 CCOC(=O)CNN MCULE-5066106273 [0,1,1,0,0,0|1,0,0]=3 3132 B7R0.7 CCOC(=O)COC MCULE-7739678079 [0,1,1,0,0,0|0,0,0]=2 3133 B7R0.7 CCOC(=O)CON MCULE-4924818206 [0,1,1,0,0,0|1,0,0]=3 3134 B7R0.7 CCOC(=O)CSC MCULE-5199209389 [0,1,1,0,0,0|0,0,0]=2 3135 B7R0.7 CCOC(=O)N=C=O MCULE-6030513409 [0,1,1,0,0,0|1,0,1]=4 3136 B7R0.7 CCOC(=O)N=C=S MCULE-1259119752 [0,1,1,0,0,0|1,0,1]=4 3137 B7R0.7 CCOC(=O)N=S=O MCULE-2418866175 [0,1,1,0,0,0|2,0,0]=4 3138 B7R0.7 CCOC(=O)NCCl MCULE-9646468987 [0,1,1,0,0,0|1,0,0]=3 3139 B7R0.7 CCOC(=O)NCO MCULE-1265242244 [0,1,1,0,0,0|1,0,0]=3 3140 B7R0.7 CCOC(=O)NNC MCULE-8689837834 [0,1,1,0,0,0|1,0,0]=3 3141 B7R0.7 CCOC(=O)NOC MCULE-2256963329 [0,1,1,0,0,0|1,0,0]=3 3142 B7R0.7 CCOC(=O)OCC MCULE-1394890550 [0,1,1,0,0,0|0,0,0]=2 3143 B7R0.7 CCOC(=O)OCCl MCULE-9723292956 [0,1,1,0,0,0|1,0,0]=3 3144 B7R0.7 CCOC(=O)OCI MCULE-7994621582 [0,1,1,0,0,0|1,0,0]=3 3145 B7R0.7 CCOC(=O)[CH-]C=O MCULE-1944484299 [0,1,1,0,0,0|0,0,2]=4 3146 B7R0.7 CCOC(=O)[CH-]C=O MCULE-5022028224 [0,1,1,0,0,0|0,0,2]=4 3147 B7R0.7 CCOC(=S)SCC MCULE-9637505732 [0,1,1,0,0,0|0,1,0]=3 3148 B7R0.7 CCOC(C)CNC MCULE-9630095723 [0,1,1,0,0,0|1,0,1]=4 3149 B7R0.7 CCOC(C)OCC MCULE-7152410134 [0,1,1,0,0,0|1,0,1]=4 3150 B7R0.7 CCOP(C)OCC MCULE-2299160311 [0,1,1,0,0,0|2,0,0]=4 3151 B7R0.7 CCOP(Cl)OCC MCULE-5522995801 [0,1,1,0,0,0|2,0,0]=4 3152 B7R0.7 CCOS(=O)OCC MCULE-6252684995 [0,1,1,0,0,0|1,0,0]=3 3153 B7R0.7 CCSC(=O)SCC MCULE-7783165279 [0,1,1,0,0,0|0,1,0]=3 3154 B7R0.7 CCSC(C)CC=O MCULE-8200772170 [0,1,1,0,0,0|1,0,0]=3 3155 B7R0.7 COCC(=O)COC MCULE-5119511792 [0,1,1,0,0,0|2,0,0]=4 3156 B7R0.7 COCC(C)N=C=O MCULE-5875044784 [0,1,1,0,0,0|1,0,1]=4 3157 B7R0.7 O=C(CCBr)CCBr MCULE-4794296091 [0,1,1,0,0,0|2,0,0]=4 3158 B7R0.7 O=C(CCCl)CCCl MCULE-1408529874 [0,1,1,0,0,0|2,0,0]=4 3159 B7R0.7 O=C(CCO)CCO MCULE-8765223516 [0,1,1,0,0,0|2,0,0]=4 3160 B7R0.7 P(=O)(OCC)OCC MCULE-8519301551 [0,1,1,0,0,0|1,0,0]=3 3161 B7R0.7 P(=S)(OCC)OCC MCULE-9585241913 [0,1,1,0,0,0|1,1,0]=4 3162 B7R0.10 C=C(CC)C(=O)OC MCULE-2064145693 [0,1,1,0,0,0|2,0,0]=4 3163 B7R0.10 C=CC(C)C(C)CC MCULE-2366850706 [0,1,1,0,0,0|2,0,0]=4 3164 B7R0.10 CCC(=O)C(=O)CC MCULE-4346857339 [0,1,1,0,0,0|1,0,0]=3 3165 B7R0.10 CCC(=O)C(=O)OC MCULE-6526576267 [0,1,1,0,0,0|2,0,0]=4 3166 B7R0.10 CCC(=O)C(O)CC MCULE-7549931190 [0,1,1,0,0,0|1,0,0]=3 3167 B7R0.10 CCC(=O)N(C)CC MCULE-1764457516 [0,1,1,0,0,0|1,0,0]=3 3168 B7R0.10 CCC(=O)N(C)OC MCULE-7450696534 [0,1,1,0,0,0|2,0,0]=4 3169 B7R0.10 CCC(Br)C(=O)NC MCULE-5335067622 [0,1,1,0,0,0|2,0,0]=4 3170 B7R0.10 CCC(Br)C(=O)OC MCULE-2335527491 [0,1,1,0,0,0|2,0,0]=4 3171 B7R0.10 CCC(C)C(=O)CBr MCULE-7022126762 [0,1,1,0,0,0|2,0,0]=4 3172 B7R0.10 CCC(C)C(=O)CCl MCULE-6800466655 [0,1,1,0,0,0|2,0,0]=4 3173 B7R0.10 CCC(C)C(=O)NC MCULE-5599095900 [0,1,1,0,0,0|2,0,0]=4 3174 B7R0.10 CCC(C)C(=O)OC MCULE-9845747952 [0,1,1,0,0,0|2,0,0]=4 3175 B7R0.10 CCC(Cl)C(=O)OC MCULE-4773486285 [0,1,1,0,0,0|2,0,0]=4 3176 B7R0.10 CCC(N)C(=O)NC MCULE-7274856339 [0,1,1,0,0,0|2,0,0]=4 3177 B7R0.10 CCC(N)C(=O)NC MCULE-9912780545 [0,1,1,0,0,0|2,0,0]=4 3178 B7R0.10 CCC(N)C(=O)OC MCULE-1569242271 [0,1,1,0,0,0|2,0,0]=4 3179 B7R0.10 CCC(N)C(=O)OC MCULE-3183954116 [0,1,1,0,0,0|2,0,0]=4 3180 B7R0.10 CCC(N)C(=O)OC MCULE-4045754117 [0,1,1,0,0,0|2,0,0]=4 3181 B7R0.10 CCC(N)C(=O)OC MCULE-5328984047 [0,1,1,0,0,0|2,0,0]=4 3182 B7R0.10 CCC(O)C(=O)OC MCULE-8768500574 [0,1,1,0,0,0|2,0,0]=4 3183 B7R0.10 CCN(C)C(=O)CBr MCULE-4444194334 [0,1,1,0,0,0|2,0,0]=4 3184 B7R0.10 CCN(C)C(=O)CCl MCULE-7762522604 [0,1,1,0,0,0|2,0,0]=4 3185 B7R0.10 CC[C@@H](Br)C(=O)OC MCULE-2676798410 [0,1,1,0,0,0|2,0,0]=4 3186 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6794991435 [0,1,1,0,0,0|2,0,0]=4 3187 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6825672331 [0,1,1,0,0,0|2,0,0]=4 3188 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-7307663817 [0,1,1,0,0,0|2,0,0]=4 3189 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-8717527808 [0,1,1,0,0,0|2,0,0]=4 3190 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-6916010003 [0,1,1,0,0,0|2,0,0]=4 3191 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-9376722018 [0,1,1,0,0,0|2,0,0]=4 3192 B7R0.10 CC[C@H](Br)C(=O)OC MCULE-5490793206 [0,1,1,0,0,0|2,0,0]=4 3193 B7R0.10 CC[C@H](N)C(=O)OC MCULE-2336816190 [0,1,1,0,0,0|2,0,0]=4 3194 B7R0.10 CC[C@H](N)C(=O)OC MCULE-3480066740 [0,1,1,0,0,0|2,0,0]=4 3195 B7R0.10 CC[C@H](N)C(=O)OC MCULE-4883083558 [0,1,1,0,0,0|2,0,0]=4 3196 B7R0.10 CC[C@H](N)C(=O)OC MCULE-6241184216 [0,1,1,0,0,0|2,0,0]=4 3197 B7R0.10 CC[C@H](O)C(=O)OC MCULE-5873092635 [0,1,1,0,0,0|2,0,0]=4 3198 B7R0.10 CC[C@H](O)C(=O)OC MCULE-8209874812 [0,1,1,0,0,0|2,0,0]=4 3199 B7R0.11 C=CCC(C)(O)CC MCULE-9630662931 [0,1,1,0,0,0|2,0,0]=4 3200 B7R0.11 CC(C)(CO)NC=O MCULE-3904144073 [0,1,1,0,0,0|2,0,0]=4 3201 B7R0.11 CCC(C)(C)CC=O MCULE-5511626130 [0,1,1,0,0,0|1,0,0]=3 3202 B7R0.11 CCOC(C)(C)CC MCULE-6659357523 [0,1,1,0,0,0|1,0,1]=4 3203 B7R0.11 CCOS(=O)(=O)CC MCULE-8806858417 [0,1,1,0,0,0|1,0,0]=3 3204 B7R0.11 CCSS(=O)(=O)CC MCULE-6956455911 [0,1,1,0,0,0|1,1,0]=4 3205 B7R0.11 COC(C)(C)CC=O MCULE-7442199663 [0,1,1,0,0,0|2,0,0]=4 3206 B7R0.11 CSC(C)(C)CC=O MCULE-1759296791 [0,1,1,0,0,0|2,0,0]=4 3207 B7R0.12 CCC(CC)CC=O MCULE-2208426846 [0,1,1,0,0,0|1,0,0]=3 3208 B7R0.12 CCC(CC)N=C=O MCULE-1936358951 [0,1,1,0,0,0|1,0,1]=4 3209 B7R0.12 CCOC(CC)CBr MCULE-9805591276 [0,1,1,0,0,0|1,0,1]=4 3210 B7R0.12 CCOC(CC)CN MCULE-3206225209 [0,1,1,0,0,0|1,0,1]=4 3211 B7R0.12 CCOC(CC)CN MCULE-9811140121 [0,1,1,0,0,0|1,0,1]=4 3212 B7R0.12 CCON(CC)CC MCULE-2387326846 [0,1,1,0,0,0|2,0,0]=4 3213 B7R0.12 CCON(CC)CC MCULE-6925822870 [0,1,1,0,0,0|2,0,0]=4 3214 B7R0.9 C=C(C)CC(C)(C)C MCULE-2888894392 [0,1,1,0,0,0|2,0,0]=4 3215 B7R0.9 C=C(C)O[Si](C)(C)C MCULE-8440514280 [0,1,1,0,0,0|1,1,0]=4 3216 B7R0.9 CC(=CC(C)(C)C)C MCULE-4264115616 [0,1,1,0,0,0|2,0,0]=4 3217 B7R0.9 CC(=O)CC(C)(C)C MCULE-5477546626 [0,1,1,0,0,0|1,0,0]=3 3218 B7R0.9 CC(=O)CC(C)(C)Cl MCULE-5981575591 [0,1,1,0,0,0|1,0,0]=3 3219 B7R0.9 CC(=O)CC(C)(C)N MCULE-1511988439 [0,1,1,0,0,0|1,0,0]=3 3220 B7R0.9 CC(=O)CC(C)(C)N MCULE-7807079460 [0,1,1,0,0,0|1,0,0]=3 3221 B7R0.9 CC(=O)CC(C)(C)N MCULE-8677016157 [0,1,1,0,0,0|1,0,0]=3 3222 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [0,1,1,0,0,0|1,0,0]=3 3223 B7R0.9 CC(=O)CC(C)(C)S MCULE-8901285593 [0,1,1,0,0,0|1,0,0]=3 3224 B7R0.9 CC(=O)NC(C)(C)C MCULE-7590749185 [0,1,1,0,0,0|1,0,0]=3 3225 B7R0.9 CC(=O)N[Si](C)(C)C MCULE-1892187625 [0,1,1,0,0,0|1,1,0]=4 3226 B7R0.9 CC(=O)OC(C)(C)C MCULE-4713236745 [0,1,1,0,0,0|0,0,0]=2 3227 B7R0.9 CC(=O)OS(=O)(=O)C MCULE-1489852585 [0,1,1,0,0,0|2,0,0]=4 3228 B7R0.9 CC(=O)O[Si](C)(C)C MCULE-9062827817 [0,1,1,0,0,0|0,1,0]=3 3229 B7R0.9 CC(=O)SC(C)(C)C MCULE-7111846167 [0,1,1,0,0,0|0,1,0]=3 3230 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [0,1,1,0,0,0|2,0,0]=4 3231 B7R0.9 CC(C)(C)CC(=O)Cl MCULE-6018997465 [0,1,1,0,0,0|2,0,0]=4 3232 B7R0.9 CC(C)(C)CC(=O)N MCULE-5884141657 [0,1,1,0,0,0|2,0,0]=4 3233 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [0,1,1,0,0,0|2,0,0]=4 3234 B7R0.9 CC(C)(C)NC(=O)N MCULE-7867571542 [0,1,1,0,0,0|2,0,0]=4 3235 B7R0.9 CC(C)(C)OC(=O)N MCULE-8089044173 [0,1,1,0,0,0|1,0,0]=3 3236 B7R0.9 CC(C)(C)SC(=O)Cl MCULE-5079482641 [0,1,1,0,0,0|1,1,0]=4 3237 B7R0.9 CC(C)(N)CC(=O)N MCULE-8203649114 [0,1,1,0,0,0|2,0,0]=4 3238 B7R0.9 CC(C)(N)CC(=O)N MCULE-9031143786 [0,1,1,0,0,0|2,0,0]=4 3239 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [0,1,1,0,0,0|2,0,0]=4 3240 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [0,1,1,0,0,0|2,0,0]=4 3241 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [0,1,1,0,0,0|2,0,0]=4 3242 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,1,1,0,0,0|2,0,0]=4 3243 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [0,1,1,0,0,0|2,0,0]=4 3244 B7R0.9 CC(C)NS(=O)(=O)C MCULE-8756000534 [0,1,1,0,0,0|2,0,0]=4 3245 B7R0.9 CC(C)OC(C)(C)C MCULE-5031141442 [0,1,1,0,0,0|1,0,1]=4 3246 B7R0.9 CC(C)OS(=O)(=O)C MCULE-4792959912 [0,1,1,0,0,0|1,0,0]=3 3247 B7R0.9 CC(C)OS(=O)(=O)O MCULE-9056417787 [0,1,1,0,0,0|2,0,0]=4 3248 B7R0.9 CC(C)OS(=O)(=O)[O-] MCULE-3991302886 [0,1,1,0,0,0|2,0,0]=4 3249 B7R0.9 CC(C)O[Si](C)(C)C MCULE-6103076529 [0,1,1,0,0,0|1,1,0]=4 3250 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [0,1,1,0,0,0|2,0,0]=4 3251 B7R0.16 C=C(C)C(=O)C(C)C MCULE-6219149152 [0,1,1,0,0,0|2,0,0]=4 3252 B7R0.16 CC(=C(C)C(C)C)C MCULE-1277261872 [0,1,1,0,0,0|2,0,0]=4 3253 B7R0.16 CC(=O)C(=O)C(C)Br MCULE-8153095418 [0,1,1,0,0,0|2,0,0]=4 3254 B7R0.16 CC(=O)C(=O)N(C)C MCULE-9467983911 [0,1,1,0,0,0|2,0,0]=4 3255 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [0,1,1,0,0,0|1,0,0]=3 3256 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [0,1,1,0,0,0|1,0,0]=3 3257 B7R0.16 CC(C)C(=O)C(=O)Cl MCULE-6254092186 [0,1,1,0,0,0|2,0,0]=4 3258 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,1,1,0,0,0|2,0,0]=4 3259 B7R0.16 CC(C)C(=O)C(=O)[O-] MCULE-3960241746 [0,1,1,0,0,0|2,0,0]=4 3260 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [0,1,1,0,0,0|2,0,0]=4 3261 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [0,1,1,0,0,0|2,0,0]=4 3262 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [0,1,1,0,0,0|2,0,0]=4 3263 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,1,1,0,0,0|2,0,0]=4 3264 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,1,1,0,0,0|2,0,0]=4 3265 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [0,1,1,0,0,0|2,0,0]=4 3266 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,1,1,0,0,0|2,0,0]=4 3267 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [0,1,1,0,0,0|2,0,0]=4 3268 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,1,1,0,0,0|2,0,0]=4 3269 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,1,1,0,0,0|2,0,0]=4 3270 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,1,1,0,0,0|2,0,0]=4 3271 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,1,1,0,0,0|2,0,0]=4 3272 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,1,1,0,0,0|2,0,0]=4 3273 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,1,1,0,0,0|2,0,0]=4 3274 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,1,1,0,0,0|2,0,0]=4 3275 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,1,1,0,0,0|2,0,0]=4 3276 B7R0.16 CC(C)N(C)C(=O)Cl MCULE-1063482503 [0,1,1,0,0,0|2,0,0]=4 3277 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,1,1,0,0,0|2,0,0]=4 3278 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,1,1,0,0,0|2,0,0]=4 3279 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,1,1,0,0,0|2,0,0]=4 3280 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,1,1,0,0,0|2,0,0]=4 3281 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,1,1,0,0,0|2,0,0]=4 3282 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,1,1,0,0,0|2,0,0]=4 3283 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,1,1,0,0,0|2,0,0]=4 3284 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,1,1,0,0,0|2,0,0]=4 3285 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,1,1,0,0,0|2,0,0]=4 3286 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,1,1,0,0,0|2,0,0]=4 3287 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,1,1,0,0,0|2,0,0]=4 3288 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,1,1,0,0,0|2,0,0]=4 3289 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,1,1,0,0,0|2,0,0]=4 3290 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,1,1,0,0,0|2,0,0]=4 3291 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,1,1,0,0,0|2,0,0]=4 3292 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,1,1,0,0,0|2,0,0]=4 3293 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,1,1,0,0,0|2,0,0]=4 3294 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,1,1,0,0,0|2,0,0]=4 3295 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,1,1,0,0,0|2,0,0]=4 3296 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,1,1,0,0,0|2,0,0]=4 3297 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,1,1,0,0,0|2,0,0]=4 3298 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,1,1,0,0,0|2,0,0]=4 3299 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,1,1,0,0,0|2,0,0]=4 3300 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,1,1,0,0,0|2,0,0]=4 3301 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,1,1,0,0,0|2,0,0]=4 3302 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,1,1,0,0,0|2,0,0]=4 3303 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [0,1,1,0,0,0|1,0,1]=4 3304 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [0,1,1,0,0,0|1,0,1]=4 3305 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [0,1,1,0,0,0|1,0,1]=4 3306 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [0,1,1,0,0,0|0,0,1]=3 3307 B7R0.4 C#CCCCC(C)O MCULE-7136902430 [0,1,1,0,0,0|1,0,1]=4 3308 B7R0.4 C#CCCC[C@@H](C)O MCULE-3650631732 [0,1,1,0,0,0|1,0,1]=4 3309 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [0,1,1,0,0,0|0,0,2]=4 3310 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [0,1,1,0,0,0|0,0,2]=4 3311 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [0,1,1,0,0,0|0,0,2]=4 3312 B7R0.4 C#CCOCC(C)O MCULE-9051899250 [0,1,1,0,0,0|1,0,1]=4 3313 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [0,1,1,0,0,0|0,0,2]=4 3314 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [0,1,1,0,0,0|0,0,1]=3 3315 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [0,1,1,0,0,0|0,0,1]=3 3316 B7R0.4 C=C(Br)CCCCC MCULE-3049831354 [0,1,1,0,0,0|2,0,0]=4 3317 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [0,1,1,0,0,0|2,0,0]=4 3318 B7R0.4 C=C(Cl)CCCCC MCULE-5074452982 [0,1,1,0,0,0|2,0,0]=4 3319 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [0,1,1,0,0,0|0,0,2]=4 3320 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [0,1,1,0,0,0|1,0,1]=4 3321 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [0,1,1,0,0,0|0,0,1]=3 3322 B7R0.4 C=CCCCC(C)C MCULE-7578384030 [0,1,1,0,0,0|2,0,0]=4 3323 B7R0.4 C=CCCCC(C)N MCULE-4101795283 [0,1,1,0,0,0|2,0,0]=4 3324 B7R0.4 C=CCCCC(C)O MCULE-6692920526 [0,1,1,0,0,0|1,0,0]=3 3325 B7R0.4 C=CCCNC(C)C MCULE-4275849388 [0,1,1,0,0,0|2,0,0]=4 3326 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [0,1,1,0,0,0|0,0,2]=4 3327 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [0,1,1,0,0,0|0,0,2]=4 3328 B7R0.4 C=CCNCC(C)C MCULE-1424825920 [0,1,1,0,0,0|2,0,0]=4 3329 B7R0.4 C=CCNCC(C)C MCULE-4634875589 [0,1,1,0,0,0|2,0,0]=4 3330 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [0,1,1,0,0,0|0,0,2]=4 3331 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [0,1,1,0,0,0|0,0,2]=4 3332 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [0,1,1,0,0,0|0,0,1]=3 3333 B7R0.4 CC(=CCCC=O)C MCULE-3815388926 [0,1,1,0,0,0|1,0,1]=4 3334 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [0,1,1,0,0,0|1,0,1]=4 3335 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [0,1,1,0,0,0|1,0,0]=3 3336 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [0,1,1,0,0,0|1,0,0]=3 3337 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [0,1,1,0,0,0|1,0,0]=3 3338 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [0,1,1,0,0,0|2,0,0]=4 3339 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [0,1,1,0,0,0|0,0,2]=4 3340 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [0,1,1,0,0,0|2,0,0]=4 3341 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [0,1,1,0,0,0|2,0,0]=4 3342 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [0,1,1,0,0,0|2,0,0]=4 3343 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [0,1,1,0,0,0|2,0,0]=4 3344 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [0,1,1,0,0,0|2,0,0]=4 3345 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [0,1,1,0,0,0|2,0,0]=4 3346 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [0,1,1,0,0,0|2,0,0]=4 3347 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [0,1,1,0,0,0|2,0,0]=4 3348 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [0,1,1,0,0,0|2,0,0]=4 3349 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [0,1,1,0,0,0|2,0,0]=4 3350 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [0,1,1,0,0,0|0,0,2]=4 3351 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [0,1,1,0,0,0|2,0,0]=4 3352 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [0,1,1,0,0,0|2,0,0]=4 3353 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [0,1,1,0,0,0|2,0,0]=4 3354 B7R0.4 CC(C)CCCC=O MCULE-2846844109 [0,1,1,0,0,0|1,0,0]=3 3355 B7R0.4 CC(C)CCN=C=O MCULE-2154901803 [0,1,1,0,0,0|1,0,1]=4 3356 B7R0.4 CC(C)CCOC=O MCULE-3671444552 [0,1,1,0,0,0|1,0,0]=3 3357 B7R0.4 CC(C)CCON=O MCULE-5177168468 [0,1,1,0,0,0|2,0,0]=4 3358 B7R0.4 CC(O)CCCCO MCULE-3790969400 [0,1,1,0,0,0|0,0,2]=4 3359 B7R0.4 CC(O)CNCCN MCULE-3904214677 [0,1,1,0,0,0|1,0,1]=4 3360 B7R0.4 CC(O)CNCCO MCULE-4873845500 [0,1,1,0,0,0|0,0,2]=4 3361 B7R0.4 CC(O)CSCCO MCULE-8885458360 [0,1,1,0,0,0|0,0,2]=4 3362 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [0,1,1,0,0,0|0,0,1]=3 3363 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [0,1,1,0,0,0|1,0,1]=4 3364 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [0,1,1,0,0,0|0,0,1]=3 3365 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [0,1,1,0,0,0|0,0,1]=3 3366 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [0,1,1,0,0,0|1,0,1]=4 3367 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [0,1,1,0,0,0|1,0,1]=4 3368 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [0,1,1,0,0,0|0,0,1]=3 3369 B7R0.4 CCCCCB(O)O MCULE-3441747739 [0,1,1,0,0,0|1,0,1]=4 3370 B7R0.4 CCCCCC(=N)N MCULE-4874167268 [0,1,1,0,0,0|2,0,0]=4 3371 B7R0.4 CCCCCC(=N)N MCULE-6942690708 [0,1,1,0,0,0|2,0,0]=4 3372 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [0,1,1,0,0,0|1,0,0]=3 3373 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [0,1,1,0,0,0|1,0,0]=3 3374 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [0,1,1,0,0,0|1,0,0]=3 3375 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [0,1,1,0,0,0|0,0,0]=2 3376 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [0,1,1,0,0,0|0,0,1]=3 3377 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [0,1,1,0,0,0|0,0,1]=3 3378 B7R0.4 CCCCCC(=S)N MCULE-7633089850 [0,1,1,0,0,0|1,1,0]=4 3379 B7R0.4 CCCCCC(C)O MCULE-2463855771 [0,1,1,0,0,0|1,0,1]=4 3380 B7R0.4 CCCCCN(=O)=O MCULE-6853489453 [0,1,1,0,0,0|1,0,1]=4 3381 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [0,1,1,0,0,0|1,0,1]=4 3382 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [0,1,1,0,0,0|1,0,1]=4 3383 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [0,1,1,0,0,0|1,0,1]=4 3384 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [0,1,1,0,0,0|1,0,1]=4 3385 B7R0.4 CCCCNC(=N)N MCULE-4548909930 [0,1,1,0,0,0|2,0,0]=4 3386 B7R0.4 CCCCNC(=N)N MCULE-4773969181 [0,1,1,0,0,0|2,0,0]=4 3387 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [0,1,1,0,0,0|1,0,0]=3 3388 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [0,1,1,0,0,0|1,0,0]=3 3389 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [0,1,1,0,0,0|1,0,0]=3 3390 B7R0.4 CCCCNC(=S)N MCULE-7448930772 [0,1,1,0,0,0|1,1,0]=4 3391 B7R0.4 CCCCNN(=O)=O MCULE-2055512271 [0,1,1,0,0,0|1,0,1]=4 3392 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [0,1,1,0,0,0|1,0,0]=3 3393 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [0,1,1,0,0,0|1,0,0]=3 3394 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [0,1,1,0,0,0|1,0,0]=3 3395 B7R0.4 CCCCOC(=S)[S-] MCULE-2197583773 [0,1,1,0,0,0|0,2,0]=4 3396 B7R0.4 CCCCOC(=S)[S-] MCULE-3219674247 [0,1,1,0,0,0|0,2,0]=4 3397 B7R0.4 CCCCON(=O)=O MCULE-9175662186 [0,1,1,0,0,0|1,0,1]=4 3398 B7R0.4 CCCCSC(=N)N MCULE-1202813594 [0,1,1,0,0,0|2,0,0]=4 3399 B7R0.4 CCCCSC(=N)N MCULE-6798856505 [0,1,1,0,0,0|2,0,0]=4 3400 B7R0.4 CCCCSC(=N)N MCULE-8701506154 [0,1,1,0,0,0|2,0,0]=4 3401 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [0,1,1,0,0,0|1,0,0]=3 3402 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [0,1,1,0,0,0|1,0,0]=3 3403 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [0,1,1,0,0,0|1,0,0]=3 3404 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [0,1,1,0,0,0|1,0,0]=3 3405 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [0,1,1,0,0,0|0,0,0]=2 3406 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [0,1,1,0,0,0|0,0,0]=2 3407 B7R0.4 CCCNCC(C)O MCULE-8110237473 [0,1,1,0,0,0|1,0,1]=4 3408 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [0,1,1,0,0,0|0,0,0]=2 3409 B7R0.4 CCCOCC(=S)N MCULE-4681127635 [0,1,1,0,0,0|1,1,0]=4 3410 B7R0.4 CCCOCC(C)O MCULE-9214840563 [0,1,1,0,0,0|1,0,1]=4 3411 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [0,1,1,0,0,0|1,0,0]=3 3412 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [0,1,1,0,0,0|0,0,0]=2 3413 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [0,1,1,0,0,0|1,0,0]=3 3414 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [0,1,1,0,0,0|1,0,0]=3 3415 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [0,1,1,0,0,0|0,0,0]=2 3416 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [0,1,1,0,0,0|0,0,0]=2 3417 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [0,1,1,0,0,0|0,0,2]=4 3418 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [0,1,1,0,0,0|0,0,2]=4 3419 B7R0.4 CCOCCC(=N)N MCULE-4926091113 [0,1,1,0,0,0|2,0,0]=4 3420 B7R0.4 CCOCCC(=N)N MCULE-8590303415 [0,1,1,0,0,0|2,0,0]=4 3421 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [0,1,1,0,0,0|1,0,0]=3 3422 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [0,1,1,0,0,0|1,0,0]=3 3423 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [0,1,1,0,0,0|0,0,0]=2 3424 B7R0.4 CCOCNC(=O)N MCULE-7680870721 [0,1,1,0,0,0|2,0,0]=4 3425 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [0,1,1,0,0,0|0,0,0]=2 3426 B7R0.4 CN(C)CCCC=O MCULE-1296611805 [0,1,1,0,0,0|2,0,0]=4 3427 B7R0.4 CN(C)CCNC=O MCULE-6221074161 [0,1,1,0,0,0|2,0,0]=4 3428 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [0,1,1,0,0,0|1,0,0]=3 3429 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [0,1,1,0,0,0|1,0,0]=3 3430 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [0,1,1,0,0,0|0,0,0]=2 3431 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [0,1,1,0,0,0|0,0,0]=2 3432 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [0,1,1,0,0,0|2,0,0]=4 3433 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [0,1,1,0,0,0|2,0,0]=4 3434 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [0,1,1,0,0,0|2,0,0]=4 3435 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [0,1,1,0,0,0|2,0,0]=4 3436 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [0,1,1,0,0,0|0,0,2]=4 3437 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [0,1,1,0,0,0|0,0,2]=4 3438 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [0,1,1,0,0,0|0,0,2]=4 3439 B7R0.4 COCCCC(=O)C MCULE-3606369396 [0,1,1,0,0,0|1,0,0]=3 3440 B7R0.4 COCCCC(=O)O MCULE-3165881573 [0,1,1,0,0,0|0,0,0]=2 3441 B7R0.4 COCCCC(=S)N MCULE-5066867181 [0,1,1,0,0,0|1,1,0]=4 3442 B7R0.4 COCCCC(C)O MCULE-4190294636 [0,1,1,0,0,0|0,0,2]=4 3443 B7R0.4 COCCNC(=O)C MCULE-2794263612 [0,1,1,0,0,0|2,0,0]=4 3444 B7R0.4 COCCNC(=O)N MCULE-1380726553 [0,1,1,0,0,0|2,0,0]=4 3445 B7R0.4 COCCOC(=O)C MCULE-3221264060 [0,1,1,0,0,0|2,0,0]=4 3446 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [0,1,1,0,0,0|2,0,0]=4 3447 B7R0.4 COCCOC(=O)N MCULE-3401505850 [0,1,1,0,0,0|2,0,0]=4 3448 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [0,1,1,0,0,0|0,0,2]=4 3449 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [0,1,1,0,0,0|0,0,0]=2 3450 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [0,1,1,0,0,0|2,0,0]=4 3451 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [0,1,1,0,0,0|2,0,0]=4 3452 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [0,1,1,0,0,0|2,0,0]=4 3453 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [0,1,1,0,0,0|1,0,0]=3 3454 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [0,1,1,0,0,0|0,0,1]=3 3455 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [0,1,1,0,0,0|1,0,1]=4 3456 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [0,1,1,0,0,0|2,0,0]=4 3457 B7R0.4 N=C(N)CCCCCl MCULE-4352194585 [0,1,1,0,0,0|2,0,0]=4 3458 B7R0.4 N=C(N)CCCCCl MCULE-5262170460 [0,1,1,0,0,0|2,0,0]=4 3459 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [0,1,1,0,0,0|1,0,0]=3 3460 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [0,1,1,0,0,0|1,0,0]=3 3461 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [0,1,1,0,0,0|1,0,0]=3 3462 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [0,1,1,0,0,0|2,0,0]=4 3463 B7R0.4 NC(=O)COCCO MCULE-3158372920 [0,1,1,0,0,0|2,0,0]=4 3464 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [0,1,1,0,0,0|2,0,0]=4 3465 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [0,1,1,0,0,0|2,0,0]=4 3466 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [0,1,1,0,0,0|1,0,0]=3 3467 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [0,1,1,0,0,0|1,0,0]=3 3468 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [0,1,1,0,0,0|0,0,0]=2 3469 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [0,1,1,0,0,0|0,0,0]=2 3470 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [0,1,1,0,0,0|0,0,0]=2 3471 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [0,1,1,0,0,0|0,0,0]=2 3472 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [0,1,1,0,0,0|2,0,0]=4 3473 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [0,1,1,0,0,0|2,0,0]=4 3474 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [0,1,1,0,0,0|2,0,0]=4 3475 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [0,1,1,0,0,0|1,0,0]=3 3476 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [0,1,1,0,0,0|1,0,0]=3 3477 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [0,1,1,0,0,0|1,0,0]=3 3478 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [0,1,1,0,0,0|1,0,0]=3 3479 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [0,1,1,0,0,0|1,0,0]=3 3480 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [0,1,1,0,0,0|1,0,0]=3 3481 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [0,1,1,0,0,0|1,0,0]=3 3482 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [0,1,1,0,0,0|1,0,0]=3 3483 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [0,1,1,0,0,0|1,0,0]=3 3484 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [0,1,1,0,0,0|1,0,0]=3 3485 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [0,1,1,0,0,0|1,0,0]=3 3486 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [0,1,1,0,0,0|2,0,0]=4 3487 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [0,1,1,0,0,0|2,0,0]=4 3488 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [0,1,1,0,0,0|2,0,0]=4 3489 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [0,1,1,0,0,0|0,0,2]=4 3490 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [0,1,1,0,0,0|0,0,2]=4 3491 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [0,1,1,0,0,0|0,0,0]=2 3492 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [0,1,1,0,0,0|0,0,0]=2 3493 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [0,1,1,0,0,0|0,0,0]=2 3494 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [0,1,1,0,0,0|0,0,0]=2 3495 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [0,1,1,0,0,0|1,0,0]=3 3496 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [0,1,1,0,0,0|1,0,0]=3 3497 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [0,1,1,0,0,0|1,0,0]=3 3498 B7R0.4 O=C(O)COCCF MCULE-9820799514 [0,1,1,0,0,0|1,0,0]=3 3499 B7R0.4 O=C(O)COCCO MCULE-8297137880 [0,1,1,0,0,0|1,0,0]=3 3500 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [0,1,1,0,0,0|1,0,0]=3 3501 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [0,1,1,0,0,0|1,0,0]=3 3502 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [0,1,1,0,0,0|0,0,1]=3 3503 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [0,1,1,0,0,0|1,0,1]=4 3504 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [0,1,1,0,0,0|0,0,1]=3 3505 B7R0.4 O=N(=O)CCCCBr MCULE-8310183286 [0,1,1,0,0,0|1,0,1]=4 3506 B7R0.4 O=N(=O)CCCCCl MCULE-9069384470 [0,1,1,0,0,0|1,0,1]=4 3507 B7R0.4 O=N(=O)CCCCO MCULE-4639070341 [0,1,1,0,0,0|1,0,1]=4 3508 B7R0.4 OB(O)CCCCBr MCULE-3231135677 [0,1,1,0,0,0|1,0,1]=4 3509 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,1,1,0,0,0|0,0,2]=4 3510 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,1,1,0,0,0|1,0,1]=4 3511 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,1,1,0,0,0|1,0,1]=4 3512 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,1,1,0,0,0|0,0,1]=3 3513 B7R0.6 C=C(C)CCC(C)Br MCULE-6437209576 [0,1,1,0,0,0|2,0,0]=4 3514 B7R0.6 C=C(C)CCC(C)C MCULE-2459654294 [0,1,1,0,0,0|2,0,0]=4 3515 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [0,1,1,0,0,0|2,0,0]=4 3516 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [0,1,1,0,0,0|1,0,0]=3 3517 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,1,1,0,0,0|1,0,1]=4 3518 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,1,1,0,0,0|0,0,2]=4 3519 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,1,1,0,0,0|0,0,2]=4 3520 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,1,1,0,0,0|0,0,2]=4 3521 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,1,1,0,0,0|0,0,2]=4 3522 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,1,1,0,0,0|0,0,1]=3 3523 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,1,1,0,0,0|0,0,2]=4 3524 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [0,1,1,0,0,0|1,0,0]=3 3525 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [0,1,1,0,0,0|2,0,0]=4 3526 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [0,1,1,0,0,0|2,0,0]=4 3527 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [0,1,1,0,0,0|2,0,0]=4 3528 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [0,1,1,0,0,0|2,0,0]=4 3529 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [0,1,1,0,0,0|2,0,0]=4 3530 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [0,1,1,0,0,0|2,0,0]=4 3531 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [0,1,1,0,0,0|2,0,0]=4 3532 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,1,1,0,0,0|1,0,1]=4 3533 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,1,1,0,0,0|1,0,0]=3 3534 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,1,1,0,0,0|1,0,1]=4 3535 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [0,1,1,0,0,0|2,0,0]=4 3536 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,1,1,0,0,0|1,0,0]=3 3537 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,1,1,0,0,0|1,0,1]=4 3538 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,1,1,0,0,0|1,0,1]=4 3539 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [0,1,1,0,0,0|0,0,2]=4 3540 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [0,1,1,0,0,0|0,0,2]=4 3541 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [0,1,1,0,0,0|0,0,2]=4 3542 B7R0.6 CC(C)CCB(O)O MCULE-7387060292 [0,1,1,0,0,0|1,0,1]=4 3543 B7R0.6 CC(C)CCC(=N)N MCULE-1131862481 [0,1,1,0,0,0|2,0,0]=4 3544 B7R0.6 CC(C)CCC(=N)N MCULE-3040841257 [0,1,1,0,0,0|2,0,0]=4 3545 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [0,1,1,0,0,0|1,0,0]=3 3546 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [0,1,1,0,0,0|1,0,0]=3 3547 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,1,1,0,0,0|0,0,0]=2 3548 B7R0.6 CC(C)CCC(=S)N MCULE-7175463316 [0,1,1,0,0,0|1,1,0]=4 3549 B7R0.6 CC(C)CCC(C)O MCULE-6292509345 [0,1,1,0,0,0|1,0,1]=4 3550 B7R0.6 CC(C)CCN(=O)=O MCULE-1596287630 [0,1,1,0,0,0|1,0,1]=4 3551 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [0,1,1,0,0,0|2,0,0]=4 3552 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [0,1,1,0,0,0|2,0,0]=4 3553 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [0,1,1,0,0,0|2,0,0]=4 3554 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [0,1,1,0,0,0|2,0,0]=4 3555 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [0,1,1,0,0,0|2,0,0]=4 3556 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [0,1,1,0,0,0|2,0,0]=4 3557 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,1,1,0,0,0|1,0,0]=3 3558 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,1,1,0,0,0|1,0,0]=3 3559 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [0,1,1,0,0,0|2,0,0]=4 3560 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,1,1,0,0,0|1,0,0]=3 3561 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,1,1,0,0,0|1,0,0]=3 3562 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [0,1,1,0,0,0|1,0,0]=3 3563 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,1,1,0,0,0|0,0,0]=2 3564 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,1,1,0,0,0|0,0,0]=2 3565 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [0,1,1,0,0,0|2,0,0]=4 3566 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [0,1,1,0,0,0|2,0,0]=4 3567 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,1,1,0,0,0|0,0,0]=2 3568 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,1,1,0,0,0|0,0,0]=2 3569 B7R0.6 CC(O)CCC(C)O MCULE-6170497684 [0,1,1,0,0,0|0,0,2]=4 3570 B7R0.6 CC(O)CCN(C)C MCULE-7246080230 [0,1,1,0,0,0|2,0,0]=4 3571 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,1,1,0,0,0|0,0,0]=2 3572 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,1,1,0,0,0|1,0,0]=3 3573 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,1,1,0,0,0|1,0,0]=3 3574 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,1,1,0,0,0|1,0,0]=3 3575 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,1,1,0,0,0|0,0,0]=2 3576 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,1,1,0,0,0|0,0,0]=2 3577 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,1,1,0,0,0|0,0,0]=2 3578 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,1,1,0,0,0|0,0,0]=2 3579 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-3982464496 [0,1,1,0,0,0|0,0,2]=4 3580 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-6083261012 [0,1,1,0,0,0|0,0,2]=4 3581 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-8142548171 [0,1,1,0,0,0|0,0,2]=4 3582 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,1,1,0,0,0|1,0,0]=3 3583 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,1,1,0,0,0|0,0,0]=2 3584 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,1,1,0,0,0|0,0,0]=2 3585 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-5867971604 [0,1,1,0,0,0|0,0,2]=4 3586 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-7024859164 [0,1,1,0,0,0|0,0,2]=4 3587 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,1,1,0,0,0|1,0,0]=3 3588 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,1,1,0,0,0|1,0,0]=3 3589 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [0,1,1,0,0,0|1,0,1]=4 3590 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,1,1,0,0,0|1,0,1]=4 3591 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,1,1,0,0,0|2,0,0]=4 3592 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,1,1,0,0,0|1,0,1]=4 3593 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,1,1,0,0,0|1,0,1]=4 3594 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,1,1,0,0,0|1,0,0]=3 3595 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,1,1,0,0,0|2,0,0]=4 3596 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,1,1,0,0,0|2,0,0]=4 3597 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,1,1,0,0,0|2,0,0]=4 3598 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,1,1,0,0,0|1,0,1]=4 3599 B7R0.8 C#CCCC(C)(C)O MCULE-8518979057 [0,1,1,0,0,0|1,0,1]=4 3600 B7R0.8 C=CCCC(C)(C)C MCULE-8786196383 [0,1,1,0,0,0|2,0,0]=4 3601 B7R0.8 C=CCCC(C)(C)N MCULE-4917756483 [0,1,1,0,0,0|2,0,0]=4 3602 B7R0.8 C=CCCC(C)(C)N MCULE-6232196724 [0,1,1,0,0,0|2,0,0]=4 3603 B7R0.8 C=CCCC(C)(C)O MCULE-6514590251 [0,1,1,0,0,0|1,0,0]=3 3604 B7R0.8 CC(C)(C)CCC=O MCULE-1451861515 [0,1,1,0,0,0|1,0,0]=3 3605 B7R0.8 CC(C)(O)CCCBr MCULE-5479502475 [0,1,1,0,0,0|1,0,1]=4 3606 B7R0.8 CC(C)(O)CCCN MCULE-1661840780 [0,1,1,0,0,0|1,0,1]=4 3607 B7R0.8 CC(C)(O)CCCO MCULE-1879136086 [0,1,1,0,0,0|0,0,2]=4 3608 B7R0.8 CC(C)(O)CCNN MCULE-1931103100 [0,1,1,0,0,0|2,0,0]=4 3609 B7R0.8 CC(C)(O)CCNN MCULE-8954589001 [0,1,1,0,0,0|2,0,0]=4 3610 B7R0.8 CC(F)(F)CCC=O MCULE-8198686125 [0,1,1,0,0,0|1,0,0]=3 3611 B7R0.8 CCCCC(C)(C)O MCULE-6518378731 [0,1,1,0,0,0|1,0,1]=4 3612 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [0,1,1,0,0,0|1,0,0]=3 3613 B7R0.8 CCCCS(=O)(=O)Cl MCULE-8979625112 [0,1,1,0,0,0|1,0,1]=4 3614 B7R0.8 CCCCS(=O)(=O)F MCULE-6322697475 [0,1,1,0,0,0|1,0,1]=4 3615 B7R0.8 CCCCS(=O)(=O)N MCULE-2248674497 [0,1,1,0,0,0|1,0,1]=4 3616 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [0,1,1,0,0,0|1,0,0]=3 3617 B7R0.8 CCCCS(=O)(=O)[O-] MCULE-9859570424 [0,1,1,0,0,0|1,0,1]=4 3618 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [0,1,1,0,0,0|2,0,0]=4 3619 B7R0.8 CNCCC(C)(C)O MCULE-6866727490 [0,1,1,0,0,0|2,0,0]=4 3620 B7R0.8 CNCCS(=O)(=O)O MCULE-4217252594 [0,1,1,0,0,0|2,0,0]=4 3621 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [0,1,1,0,0,0|2,0,0]=4 3622 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [0,1,1,0,0,0|2,0,0]=4 3623 B7R0.8 CS(=O)(=O)CCC=O MCULE-1821843669 [0,1,1,0,0,0|1,0,1]=4 3624 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [0,1,1,0,0,0|2,0,0]=4 3625 B7R0.8 NCCCS(=O)(=O)O MCULE-6933013590 [0,1,1,0,0,0|2,0,0]=4 3626 B7R0.8 O=CCCC(F)(F)F MCULE-8231441138 [0,1,1,0,0,0|2,0,0]=4 3627 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [0,1,1,0,0,0|2,0,0]=4 3628 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [0,1,1,0,0,0|2,0,0]=4 3629 B7R0.8 O=S(=O)(O)CCCBr MCULE-8256529568 [0,1,1,0,0,0|2,0,0]=4 3630 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [0,1,1,0,0,0|2,0,0]=4 3631 B7R0.8 O=S(=O)(O)CCCS MCULE-4609690087 [0,1,1,0,0,0|2,0,0]=4 3632 B7R1.1 BrCC1=CCCC1 MCULE-9208619526 [1,1,0,0,0,0|2,0,0]=4 3633 B7R1.1 BrCC1C=CCC1 MCULE-4270104932 [1,1,0,0,0,0|1,0,0]=3 3634 B7R1.1 BrCC1CC=CC1 MCULE-8694814510 [1,1,0,0,0,0|1,0,1]=4 3635 B7R1.1 BrCC1CCCC1 MCULE-2472505847 [1,1,0,0,0,0|1,0,1]=4 3636 B7R1.1 BrCC1CCCN1 MCULE-2152950124 [1,1,0,0,0,0|1,0,1]=4 3637 B7R1.1 BrCC1CCCN1 MCULE-6083580584 [1,1,0,0,0,0|1,0,1]=4 3638 B7R1.1 BrCC1CCCN1 MCULE-8116807965 [1,1,0,0,0,0|1,0,1]=4 3639 B7R1.1 BrCC1CCCO1 MCULE-6801721633 [1,1,0,0,0,0|0,0,1]=3 3640 B7R1.1 BrCC1CCNC1 MCULE-3841325509 [1,1,0,0,0,0|2,0,0]=4 3641 B7R1.1 BrCC1CCNC1 MCULE-4302321173 [1,1,0,0,0,0|2,0,0]=4 3642 B7R1.1 BrCC1CCNC1 MCULE-7802125485 [1,1,0,0,0,0|2,0,0]=4 3643 B7R1.1 BrCC1CCOC1 MCULE-5109533414 [1,1,0,0,0,0|2,0,0]=4 3644 B7R1.1 BrCC1OCCO1 MCULE-4843503125 [1,1,0,0,0,0|1,0,1]=4 3645 B7R1.1 BrC[C@@H]1CCCN1 MCULE-2609238545 [1,1,0,0,0,0|1,0,1]=4 3646 B7R1.1 BrC[C@@H]1CCCN1 MCULE-4300877722 [1,1,0,0,0,0|1,0,1]=4 3647 B7R1.1 BrC[C@@H]1CCCN1 MCULE-7501559292 [1,1,0,0,0,0|1,0,1]=4 3648 B7R1.1 BrC[C@@H]1CCCN1 MCULE-9528927495 [1,1,0,0,0,0|1,0,1]=4 3649 B7R1.1 BrC[C@H]1CCCO1 MCULE-3468061610 [1,1,0,0,0,0|0,0,1]=3 3650 B7R1.1 BrC[C@H]1CCCO1 MCULE-9305844681 [1,1,0,0,0,0|0,0,1]=3 3651 B7R1.1 BrC[C@H]1CCOC1 MCULE-3326059942 [1,1,0,0,0,0|2,0,0]=4 3652 B7R1.1 C#CC1CCCO1 MCULE-5501627253 [1,1,0,0,0,0|0,0,2]=4 3653 B7R1.1 C1(CCCN1)CF MCULE-2705678622 [1,1,0,0,0,0|1,0,1]=4 3654 B7R1.1 C1(CCCN1)CF MCULE-3175080744 [1,1,0,0,0,0|1,0,1]=4 3655 B7R1.1 C1(CCCN1)CN MCULE-3568349121 [1,1,0,0,0,0|1,0,1]=4 3656 B7R1.1 C1(CCCN1)CN MCULE-9944820727 [1,1,0,0,0,0|1,0,1]=4 3657 B7R1.1 C1(CCCN1)CO MCULE-7277085817 [1,1,0,0,0,0|1,0,1]=4 3658 B7R1.1 C1(CCNC1)CC MCULE-1733412139 [1,1,0,0,0,0|2,0,0]=4 3659 B7R1.1 C1(CCNC1)CC MCULE-9295480110 [1,1,0,0,0,0|2,0,0]=4 3660 B7R1.1 C1(CCNC1)CO MCULE-7897000858 [1,1,0,0,0,0|2,0,0]=4 3661 B7R1.1 C1(CCNC1)CO MCULE-9939548436 [1,1,0,0,0,0|2,0,0]=4 3662 B7R1.1 C1(CCNC1)OC MCULE-4107032989 [1,1,0,0,0,0|2,0,0]=4 3663 B7R1.1 C1(CCNC1)OC MCULE-7879953493 [1,1,0,0,0,0|2,0,0]=4 3664 B7R1.1 C1(CCOC1)CN MCULE-1674920995 [1,1,0,0,0,0|2,0,0]=4 3665 B7R1.1 C1(CCOC1)CN MCULE-9715233219 [1,1,0,0,0,0|2,0,0]=4 3666 B7R1.1 C1(CCOC1)CO MCULE-2350780678 [1,1,0,0,0,0|2,0,0]=4 3667 B7R1.1 C1(CCOC1)NC MCULE-8636753374 [1,1,0,0,0,0|2,0,0]=4 3668 B7R1.1 CC=C1CCCC1 MCULE-9763131004 [1,1,0,0,0,0|2,0,0]=4 3669 B7R1.1 CCC1=CCCC1 MCULE-5154730597 [1,1,0,0,0,0|2,0,0]=4 3670 B7R1.1 CCC1=NCCO1 MCULE-3838550511 [1,1,0,0,0,0|2,0,0]=4 3671 B7R1.1 CCC1C=CCN1 MCULE-4549893906 [1,1,0,0,0,0|2,0,0]=4 3672 B7R1.1 CCC1C=CCN1 MCULE-7209552603 [1,1,0,0,0,0|2,0,0]=4 3673 B7R1.1 CCC1CCCC1 MCULE-1974854934 [1,1,0,0,0,0|1,0,1]=4 3674 B7R1.1 CCC1CCCN1 MCULE-1775351089 [1,1,0,0,0,0|1,0,1]=4 3675 B7R1.1 CCC1CCCN1 MCULE-2065682250 [1,1,0,0,0,0|1,0,1]=4 3676 B7R1.1 CCC1CCCN1 MCULE-8326168982 [1,1,0,0,0,0|1,0,1]=4 3677 B7R1.1 CCC1CCCN1 MCULE-9831560442 [1,1,0,0,0,0|1,0,1]=4 3678 B7R1.1 CCC1CCNC1 MCULE-1558031098 [1,1,0,0,0,0|2,0,0]=4 3679 B7R1.1 CCC1CCNC1 MCULE-1877930466 [1,1,0,0,0,0|2,0,0]=4 3680 B7R1.1 CCC1OCCO1 MCULE-3434568584 [1,1,0,0,0,0|1,0,1]=4 3681 B7R1.1 CC[C@@H]1CCCN1 MCULE-1829706908 [1,1,0,0,0,0|1,0,1]=4 3682 B7R1.1 CC[C@@H]1CCCN1 MCULE-6310895621 [1,1,0,0,0,0|1,0,1]=4 3683 B7R1.1 CC[C@@H]1CCCN1 MCULE-6770634475 [1,1,0,0,0,0|1,0,1]=4 3684 B7R1.1 CC[C@@H]1CCCN1 MCULE-9259891597 [1,1,0,0,0,0|1,0,1]=4 3685 B7R1.1 CC[C@@H]1CCNC1 MCULE-1468303255 [1,1,0,0,0,0|2,0,0]=4 3686 B7R1.1 CC[C@@H]1CCNC1 MCULE-2434021547 [1,1,0,0,0,0|2,0,0]=4 3687 B7R1.1 CC[C@@H]1CCNC1 MCULE-4288710106 [1,1,0,0,0,0|2,0,0]=4 3688 B7R1.1 CC[C@@H]1CCNC1 MCULE-5295271815 [1,1,0,0,0,0|2,0,0]=4 3689 B7R1.1 CC[C@H]1CCCN1 MCULE-2347458277 [1,1,0,0,0,0|1,0,1]=4 3690 B7R1.1 CC[C@H]1CCCN1 MCULE-3796565634 [1,1,0,0,0,0|1,0,1]=4 3691 B7R1.1 CC[C@H]1CCCN1 MCULE-6193768639 [1,1,0,0,0,0|1,0,1]=4 3692 B7R1.1 CC[C@H]1CCCN1 MCULE-9679619003 [1,1,0,0,0,0|1,0,1]=4 3693 B7R1.1 CC[C@H]1CCNC1 MCULE-5122116015 [1,1,0,0,0,0|2,0,0]=4 3694 B7R1.1 CC[C@H]1CCNC1 MCULE-5302237772 [1,1,0,0,0,0|2,0,0]=4 3695 B7R1.1 CC[C@H]1CCNC1 MCULE-9447387540 [1,1,0,0,0,0|2,0,0]=4 3696 B7R1.1 CC[C@H]1CCNC1 MCULE-9743799071 [1,1,0,0,0,0|2,0,0]=4 3697 B7R1.1 CNC1CCCC1 MCULE-1391832163 [1,1,0,0,0,0|1,0,1]=4 3698 B7R1.1 CNC1CCCC1 MCULE-8242451793 [1,1,0,0,0,0|1,0,1]=4 3699 B7R1.1 CNC1CCNC1 MCULE-5544853841 [1,1,0,0,0,0|2,0,0]=4 3700 B7R1.1 CNC1CCNC1 MCULE-9402107922 [1,1,0,0,0,0|2,0,0]=4 3701 B7R1.1 CNC1CCOC1 MCULE-5628928593 [1,1,0,0,0,0|2,0,0]=4 3702 B7R1.1 CNC1CCOC1 MCULE-7465078745 [1,1,0,0,0,0|2,0,0]=4 3703 B7R1.1 CNC1CCOC1 MCULE-8928979869 [1,1,0,0,0,0|2,0,0]=4 3704 B7R1.1 CNC1CCSC1 MCULE-1603222229 [1,1,0,0,0,0|2,0,0]=4 3705 B7R1.1 CNC1CCSC1 MCULE-5376977039 [1,1,0,0,0,0|2,0,0]=4 3706 B7R1.1 CNC1CCSC1 MCULE-9789640029 [1,1,0,0,0,0|2,0,0]=4 3707 B7R1.1 CN[C@@H]1CCNC1 MCULE-1090651309 [1,1,0,0,0,0|2,0,0]=4 3708 B7R1.1 CN[C@@H]1CCNC1 MCULE-6088625234 [1,1,0,0,0,0|2,0,0]=4 3709 B7R1.1 CN[C@@H]1CCNC1 MCULE-8530771803 [1,1,0,0,0,0|2,0,0]=4 3710 B7R1.1 CN[C@@H]1CCNC1 MCULE-9769572717 [1,1,0,0,0,0|2,0,0]=4 3711 B7R1.1 CN[C@@H]1CCOC1 MCULE-2275496757 [1,1,0,0,0,0|2,0,0]=4 3712 B7R1.1 CN[C@@H]1CCOC1 MCULE-4479731635 [1,1,0,0,0,0|2,0,0]=4 3713 B7R1.1 CN[C@@H]1CCOC1 MCULE-4936509842 [1,1,0,0,0,0|2,0,0]=4 3714 B7R1.1 CN[C@@H]1CCOC1 MCULE-7543653230 [1,1,0,0,0,0|2,0,0]=4 3715 B7R1.1 CN[C@H]1CCNC1 MCULE-3142856248 [1,1,0,0,0,0|2,0,0]=4 3716 B7R1.1 CN[C@H]1CCNC1 MCULE-7615640017 [1,1,0,0,0,0|2,0,0]=4 3717 B7R1.1 CN[C@H]1CCNC1 MCULE-9192229718 [1,1,0,0,0,0|2,0,0]=4 3718 B7R1.1 CN[C@H]1CCOC1 MCULE-3884907072 [1,1,0,0,0,0|2,0,0]=4 3719 B7R1.1 CN[C@H]1CCOC1 MCULE-5671082057 [1,1,0,0,0,0|2,0,0]=4 3720 B7R1.1 CN[C@H]1CCOC1 MCULE-7223789451 [1,1,0,0,0,0|2,0,0]=4 3721 B7R1.1 CN[C@H]1CCOC1 MCULE-7903690510 [1,1,0,0,0,0|2,0,0]=4 3722 B7R1.1 COC1=CCCC1 MCULE-6260649761 [1,1,0,0,0,0|1,0,1]=4 3723 B7R1.1 COC1=NCCC1 MCULE-2625712954 [1,1,0,0,0,0|1,0,1]=4 3724 B7R1.1 COC1CC=CC1 MCULE-3537302351 [1,1,0,0,0,0|1,0,1]=4 3725 B7R1.1 COC1CCCC1 MCULE-7539347010 [1,1,0,0,0,0|1,0,1]=4 3726 B7R1.1 COC1CCCO1 MCULE-8363423240 [1,1,0,0,0,0|0,0,1]=3 3727 B7R1.1 COC1CCNC1 MCULE-1194889067 [1,1,0,0,0,0|2,0,0]=4 3728 B7R1.1 COC1CCNC1 MCULE-2551543855 [1,1,0,0,0,0|2,0,0]=4 3729 B7R1.1 COC1OCCO1 MCULE-9935127218 [1,1,0,0,0,0|1,0,1]=4 3730 B7R1.1 CO[C@@H]1CCNC1 MCULE-1457133388 [1,1,0,0,0,0|2,0,0]=4 3731 B7R1.1 CO[C@@H]1CCNC1 MCULE-5592053485 [1,1,0,0,0,0|2,0,0]=4 3732 B7R1.1 CO[C@@H]1CCNC1 MCULE-9586958523 [1,1,0,0,0,0|2,0,0]=4 3733 B7R1.1 CO[C@@H]1CCNC1 MCULE-9627985971 [1,1,0,0,0,0|2,0,0]=4 3734 B7R1.1 CO[C@H]1CCNC1 MCULE-4011037765 [1,1,0,0,0,0|2,0,0]=4 3735 B7R1.1 CO[C@H]1CCNC1 MCULE-6371005292 [1,1,0,0,0,0|2,0,0]=4 3736 B7R1.1 CO[C@H]1CCNC1 MCULE-6820243921 [1,1,0,0,0,0|2,0,0]=4 3737 B7R1.1 CO[C@H]1CCNC1 MCULE-9345557765 [1,1,0,0,0,0|2,0,0]=4 3738 B7R1.1 CSC1CCNC1 MCULE-8160363271 [1,1,0,0,0,0|2,0,0]=4 3739 B7R1.1 CSC1CCNC1 MCULE-8993526132 [1,1,0,0,0,0|2,0,0]=4 3740 B7R1.1 CS[C@@H]1CCNC1 MCULE-5068595479 [1,1,0,0,0,0|2,0,0]=4 3741 B7R1.1 CS[C@@H]1CCNC1 MCULE-7615711516 [1,1,0,0,0,0|2,0,0]=4 3742 B7R1.1 CS[C@@H]1CCNC1 MCULE-8265640185 [1,1,0,0,0,0|2,0,0]=4 3743 B7R1.1 CS[C@@H]1CCNC1 MCULE-9548332479 [1,1,0,0,0,0|2,0,0]=4 3744 B7R1.1 ClCC1=NCCO1 MCULE-8789331570 [1,1,0,0,0,0|2,0,0]=4 3745 B7R1.1 ClCC1CCCC1 MCULE-7652893931 [1,1,0,0,0,0|1,0,1]=4 3746 B7R1.1 ClCC1CCCN1 MCULE-3656101962 [1,1,0,0,0,0|1,0,1]=4 3747 B7R1.1 ClCC1CCCN1 MCULE-9792407426 [1,1,0,0,0,0|1,0,1]=4 3748 B7R1.1 ClCC1CCCO1 MCULE-9816764842 [1,1,0,0,0,0|0,0,1]=3 3749 B7R1.1 ClCC1CCNC1 MCULE-3647066500 [1,1,0,0,0,0|2,0,0]=4 3750 B7R1.1 ClCC1CCNC1 MCULE-4046034551 [1,1,0,0,0,0|2,0,0]=4 3751 B7R1.1 ClCC1CCOC1 MCULE-1203835826 [1,1,0,0,0,0|2,0,0]=4 3752 B7R1.1 ClCC1OCCO1 MCULE-2722734837 [1,1,0,0,0,0|1,0,1]=4 3753 B7R1.1 ClC[C@@H]1CCCN1 MCULE-1712418178 [1,1,0,0,0,0|1,0,1]=4 3754 B7R1.1 ClC[C@@H]1CCCN1 MCULE-2092217865 [1,1,0,0,0,0|1,0,1]=4 3755 B7R1.1 ClC[C@@H]1CCCN1 MCULE-4473753787 [1,1,0,0,0,0|1,0,1]=4 3756 B7R1.1 ClC[C@@H]1CCCN1 MCULE-9545872560 [1,1,0,0,0,0|1,0,1]=4 3757 B7R1.1 ClC[C@@H]1CCNC1 MCULE-3561633948 [1,1,0,0,0,0|2,0,0]=4 3758 B7R1.1 ClC[C@@H]1CCNC1 MCULE-9146547190 [1,1,0,0,0,0|2,0,0]=4 3759 B7R1.1 ClC[C@H]1CCCN1 MCULE-1186865731 [1,1,0,0,0,0|1,0,1]=4 3760 B7R1.1 ClC[C@H]1CCCN1 MCULE-3107383611 [1,1,0,0,0,0|1,0,1]=4 3761 B7R1.1 ClC[C@H]1CCNC1 MCULE-1113644310 [1,1,0,0,0,0|2,0,0]=4 3762 B7R1.1 ClC[C@H]1CCNC1 MCULE-4950070763 [1,1,0,0,0,0|2,0,0]=4 3763 B7R1.1 FCC1CCCN1 MCULE-3216030316 [1,1,0,0,0,0|1,0,1]=4 3764 B7R1.1 FCC1CCCN1 MCULE-4540803550 [1,1,0,0,0,0|1,0,1]=4 3765 B7R1.1 FCC1CCNC1 MCULE-1978414491 [1,1,0,0,0,0|2,0,0]=4 3766 B7R1.1 FCC1CCNC1 MCULE-5950087621 [1,1,0,0,0,0|2,0,0]=4 3767 B7R1.1 FCC1CCNC1 MCULE-7750703127 [1,1,0,0,0,0|2,0,0]=4 3768 B7R1.1 FCC1CCNC1 MCULE-8603606998 [1,1,0,0,0,0|2,0,0]=4 3769 B7R1.1 FC[C@@H]1CCCN1 MCULE-2463314208 [1,1,0,0,0,0|1,0,1]=4 3770 B7R1.1 FC[C@@H]1CCCN1 MCULE-3740139569 [1,1,0,0,0,0|1,0,1]=4 3771 B7R1.1 FC[C@@H]1CCCN1 MCULE-6899304468 [1,1,0,0,0,0|1,0,1]=4 3772 B7R1.1 FC[C@@H]1CCCN1 MCULE-9916936373 [1,1,0,0,0,0|1,0,1]=4 3773 B7R1.1 FC[C@@H]1CCNC1 MCULE-2159002313 [1,1,0,0,0,0|2,0,0]=4 3774 B7R1.1 FC[C@@H]1CCNC1 MCULE-4712597711 [1,1,0,0,0,0|2,0,0]=4 3775 B7R1.1 FC[C@@H]1CCNC1 MCULE-6166975534 [1,1,0,0,0,0|2,0,0]=4 3776 B7R1.1 FC[C@@H]1CCNC1 MCULE-7608233986 [1,1,0,0,0,0|2,0,0]=4 3777 B7R1.1 FC[C@H]1CCCN1 MCULE-1380365453 [1,1,0,0,0,0|1,0,1]=4 3778 B7R1.1 FC[C@H]1CCCN1 MCULE-1512160666 [1,1,0,0,0,0|1,0,1]=4 3779 B7R1.1 FC[C@H]1CCCN1 MCULE-2904385734 [1,1,0,0,0,0|1,0,1]=4 3780 B7R1.1 FC[C@H]1CCCN1 MCULE-9837641384 [1,1,0,0,0,0|1,0,1]=4 3781 B7R1.1 FC[C@H]1CCNC1 MCULE-2828011524 [1,1,0,0,0,0|2,0,0]=4 3782 B7R1.1 FC[C@H]1CCNC1 MCULE-4192540640 [1,1,0,0,0,0|2,0,0]=4 3783 B7R1.1 FC[C@H]1CCNC1 MCULE-5280605995 [1,1,0,0,0,0|2,0,0]=4 3784 B7R1.1 FC[C@H]1CCNC1 MCULE-8886310417 [1,1,0,0,0,0|2,0,0]=4 3785 B7R1.1 ICC1CC=CC1 MCULE-8435970870 [1,1,0,0,0,0|1,0,1]=4 3786 B7R1.1 ICC1CCCC1 MCULE-5940886897 [1,1,0,0,0,0|1,0,1]=4 3787 B7R1.1 ICC1CCCN1 MCULE-3467617934 [1,1,0,0,0,0|1,0,1]=4 3788 B7R1.1 ICC1CCCN1 MCULE-7784862806 [1,1,0,0,0,0|1,0,1]=4 3789 B7R1.1 ICC1CCCO1 MCULE-3981288245 [1,1,0,0,0,0|0,0,1]=3 3790 B7R1.1 ICC1CCNC1 MCULE-4259439945 [1,1,0,0,0,0|2,0,0]=4 3791 B7R1.1 ICC1CCNC1 MCULE-6061564929 [1,1,0,0,0,0|2,0,0]=4 3792 B7R1.1 ICC1CCOC1 MCULE-2014671156 [1,1,0,0,0,0|2,0,0]=4 3793 B7R1.1 IC[C@@H]1CCCN1 MCULE-4843756038 [1,1,0,0,0,0|1,0,1]=4 3794 B7R1.1 IC[C@@H]1CCCN1 MCULE-8213667136 [1,1,0,0,0,0|1,0,1]=4 3795 B7R1.1 IC[C@H]1CCOC1 MCULE-5163407500 [1,1,0,0,0,0|2,0,0]=4 3796 B7R1.1 N#CC1=CCCC1 MCULE-5654080085 [1,1,0,0,0,0|2,0,0]=4 3797 B7R1.1 N#CC1CCCO1 MCULE-6657753631 [1,1,0,0,0,0|0,0,2]=4 3798 B7R1.1 NCC1C=CCC1 MCULE-5829076156 [1,1,0,0,0,0|1,0,0]=3 3799 B7R1.1 NCC1C=CCC1 MCULE-8381701177 [1,1,0,0,0,0|1,0,0]=3 3800 B7R1.1 NCC1CC=CC1 MCULE-4315281916 [1,1,0,0,0,0|1,0,1]=4 3801 B7R1.1 NCC1CCCC1 MCULE-3629796849 [1,1,0,0,0,0|1,0,1]=4 3802 B7R1.1 NCC1CCCC1 MCULE-8453900433 [1,1,0,0,0,0|1,0,1]=4 3803 B7R1.1 NCC1CCCN1 MCULE-4764684364 [1,1,0,0,0,0|1,0,1]=4 3804 B7R1.1 NCC1CCCN1 MCULE-8971980286 [1,1,0,0,0,0|1,0,1]=4 3805 B7R1.1 NCC1CCCO1 MCULE-2797516262 [1,1,0,0,0,0|0,0,1]=3 3806 B7R1.1 NCC1CCCO1 MCULE-5970677903 [1,1,0,0,0,0|0,0,1]=3 3807 B7R1.1 NCC1CCCO1 MCULE-6166235034 [1,1,0,0,0,0|0,0,1]=3 3808 B7R1.1 NCC1CCCS1 MCULE-5278325816 [1,1,0,0,0,0|0,1,1]=4 3809 B7R1.1 NCC1CCNC1 MCULE-1458513231 [1,1,0,0,0,0|2,0,0]=4 3810 B7R1.1 NCC1CCNC1 MCULE-3817893631 [1,1,0,0,0,0|2,0,0]=4 3811 B7R1.1 NCC1CCOC1 MCULE-4208746127 [1,1,0,0,0,0|2,0,0]=4 3812 B7R1.1 NCC1CCOC1 MCULE-6540410947 [1,1,0,0,0,0|2,0,0]=4 3813 B7R1.1 NCC1CCSC1 MCULE-6868901477 [1,1,0,0,0,0|2,0,0]=4 3814 B7R1.1 NCC1COCO1 MCULE-1657884847 [1,1,0,0,0,0|1,0,1]=4 3815 B7R1.1 NCC1COCO1 MCULE-9310217083 [1,1,0,0,0,0|1,0,1]=4 3816 B7R1.1 NCC1OCCO1 MCULE-4813269641 [1,1,0,0,0,0|1,0,1]=4 3817 B7R1.1 NC[C@@H]1CCCN1 MCULE-4726727563 [1,1,0,0,0,0|1,0,1]=4 3818 B7R1.1 NC[C@@H]1CCCN1 MCULE-7513400460 [1,1,0,0,0,0|1,0,1]=4 3819 B7R1.1 NC[C@@H]1CCCN1 MCULE-7622329174 [1,1,0,0,0,0|1,0,1]=4 3820 B7R1.1 NC[C@@H]1CCCN1 MCULE-8573395464 [1,1,0,0,0,0|1,0,1]=4 3821 B7R1.1 NC[C@@H]1CCCO1 MCULE-1103643839 [1,1,0,0,0,0|0,0,1]=3 3822 B7R1.1 NC[C@@H]1CCCO1 MCULE-1402571993 [1,1,0,0,0,0|0,0,1]=3 3823 B7R1.1 NC[C@@H]1CCCO1 MCULE-1448381041 [1,1,0,0,0,0|0,0,1]=3 3824 B7R1.1 NC[C@@H]1CCCO1 MCULE-6664501749 [1,1,0,0,0,0|0,0,1]=3 3825 B7R1.1 NC[C@@H]1CCOC1 MCULE-2941934022 [1,1,0,0,0,0|2,0,0]=4 3826 B7R1.1 NC[C@@H]1CCOC1 MCULE-2981279377 [1,1,0,0,0,0|2,0,0]=4 3827 B7R1.1 NC[C@@H]1CCOC1 MCULE-6671508282 [1,1,0,0,0,0|2,0,0]=4 3828 B7R1.1 NC[C@@H]1CCOC1 MCULE-7170580817 [1,1,0,0,0,0|2,0,0]=4 3829 B7R1.1 NC[C@H]1CCCN1 MCULE-2813912286 [1,1,0,0,0,0|1,0,1]=4 3830 B7R1.1 NC[C@H]1CCCN1 MCULE-5505144820 [1,1,0,0,0,0|1,0,1]=4 3831 B7R1.1 NC[C@H]1CCCN1 MCULE-7325312327 [1,1,0,0,0,0|1,0,1]=4 3832 B7R1.1 NC[C@H]1CCCN1 MCULE-7708925831 [1,1,0,0,0,0|1,0,1]=4 3833 B7R1.1 NC[C@H]1CCCO1 MCULE-1196018690 [1,1,0,0,0,0|0,0,1]=3 3834 B7R1.1 NC[C@H]1CCCO1 MCULE-2037746017 [1,1,0,0,0,0|0,0,1]=3 3835 B7R1.1 NC[C@H]1CCCO1 MCULE-3470426685 [1,1,0,0,0,0|0,0,1]=3 3836 B7R1.1 NC[C@H]1CCCO1 MCULE-9918683284 [1,1,0,0,0,0|0,0,1]=3 3837 B7R1.1 NC[C@H]1CCOC1 MCULE-1537228220 [1,1,0,0,0,0|2,0,0]=4 3838 B7R1.1 NC[C@H]1CCOC1 MCULE-2673094483 [1,1,0,0,0,0|2,0,0]=4 3839 B7R1.1 NC[C@H]1CCOC1 MCULE-4873739830 [1,1,0,0,0,0|2,0,0]=4 3840 B7R1.1 NC[C@H]1CCOC1 MCULE-6059527282 [1,1,0,0,0,0|2,0,0]=4 3841 B7R1.1 O/N=C/1\CCCN1 MCULE-9494233692 [1,1,0,0,0,0|1,0,1]=4 3842 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [1,1,0,0,0,0|1,0,0]=3 3843 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [1,1,0,0,0,0|0,0,1]=3 3844 B7R1.1 O=CC1=CCSC1 MCULE-9591036145 [1,1,0,0,0,0|2,0,0]=4 3845 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [1,1,0,0,0,0|1,0,1]=4 3846 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [1,1,0,0,0,0|0,0,1]=3 3847 B7R1.1 O=CN1CCCC1 MCULE-1922854302 [1,1,0,0,0,0|2,0,0]=4 3848 B7R1.1 O=NN1CCCC1 MCULE-8449068120 [1,1,0,0,0,0|2,0,0]=4 3849 B7R1.1 OCC1=CCCC1 MCULE-8850570361 [1,1,0,0,0,0|1,0,1]=4 3850 B7R1.1 OCC1=NCCO1 MCULE-9432593363 [1,1,0,0,0,0|1,0,1]=4 3851 B7R1.1 OCC1C=CCC1 MCULE-1237002603 [1,1,0,0,0,0|1,0,0]=3 3852 B7R1.1 OCC1C=CCN1 MCULE-1461746159 [1,1,0,0,0,0|2,0,0]=4 3853 B7R1.1 OCC1C=CCN1 MCULE-5814337815 [1,1,0,0,0,0|2,0,0]=4 3854 B7R1.1 OCC1CC=CC1 MCULE-4213030098 [1,1,0,0,0,0|1,0,1]=4 3855 B7R1.1 OCC1CCCC1 MCULE-2985338933 [1,1,0,0,0,0|1,0,1]=4 3856 B7R1.1 OCC1CCCN1 MCULE-1016922679 [1,1,0,0,0,0|1,0,1]=4 3857 B7R1.1 OCC1CCCN1 MCULE-8224535891 [1,1,0,0,0,0|1,0,1]=4 3858 B7R1.1 OCC1CCCO1 MCULE-5877114547 [1,1,0,0,0,0|0,0,1]=3 3859 B7R1.1 OCC1CCCO1 MCULE-5884880244 [1,1,0,0,0,0|0,0,1]=3 3860 B7R1.1 OCC1CCCS1 MCULE-6106081414 [1,1,0,0,0,0|0,1,1]=4 3861 B7R1.1 OCC1CCNC1 MCULE-7883947611 [1,1,0,0,0,0|2,0,0]=4 3862 B7R1.1 OCC1CCNC1 MCULE-9689521155 [1,1,0,0,0,0|2,0,0]=4 3863 B7R1.1 OCC1CCOC1 MCULE-8926405046 [1,1,0,0,0,0|2,0,0]=4 3864 B7R1.1 OCC1CCON1 MCULE-1199975481 [1,1,0,0,0,0|2,0,0]=4 3865 B7R1.1 OCC1CCON1 MCULE-4772487016 [1,1,0,0,0,0|2,0,0]=4 3866 B7R1.1 OCC1CCSC1 MCULE-2226132734 [1,1,0,0,0,0|2,0,0]=4 3867 B7R1.1 OCC1COCO1 MCULE-3470022742 [1,1,0,0,0,0|1,0,1]=4 3868 B7R1.1 OCC1OCCO1 MCULE-8334027179 [1,1,0,0,0,0|1,0,1]=4 3869 B7R1.1 OC[C@@H]1CCCN1 MCULE-1791547752 [1,1,0,0,0,0|1,0,1]=4 3870 B7R1.1 OC[C@@H]1CCCN1 MCULE-6448856585 [1,1,0,0,0,0|1,0,1]=4 3871 B7R1.1 OC[C@@H]1CCCN1 MCULE-7214801659 [1,1,0,0,0,0|1,0,1]=4 3872 B7R1.1 OC[C@@H]1CCCN1 MCULE-7248451975 [1,1,0,0,0,0|1,0,1]=4 3873 B7R1.1 OC[C@@H]1CCCO1 MCULE-1788377708 [1,1,0,0,0,0|0,0,1]=3 3874 B7R1.1 OC[C@@H]1CCCO1 MCULE-3533553137 [1,1,0,0,0,0|0,0,1]=3 3875 B7R1.1 OC[C@@H]1CCNC1 MCULE-3126404140 [1,1,0,0,0,0|2,0,0]=4 3876 B7R1.1 OC[C@@H]1CCNC1 MCULE-4876549629 [1,1,0,0,0,0|2,0,0]=4 3877 B7R1.1 OC[C@@H]1CCNC1 MCULE-7050415145 [1,1,0,0,0,0|2,0,0]=4 3878 B7R1.1 OC[C@@H]1CCNC1 MCULE-8785146407 [1,1,0,0,0,0|2,0,0]=4 3879 B7R1.1 OC[C@@H]1CCOC1 MCULE-2004616524 [1,1,0,0,0,0|2,0,0]=4 3880 B7R1.1 OC[C@@H]1CCOC1 MCULE-3801423698 [1,1,0,0,0,0|2,0,0]=4 3881 B7R1.1 OC[C@H]1CCCN1 MCULE-1266532697 [1,1,0,0,0,0|1,0,1]=4 3882 B7R1.1 OC[C@H]1CCCN1 MCULE-1724166794 [1,1,0,0,0,0|1,0,1]=4 3883 B7R1.1 OC[C@H]1CCCN1 MCULE-7513431964 [1,1,0,0,0,0|1,0,1]=4 3884 B7R1.1 OC[C@H]1CCCN1 MCULE-8398083695 [1,1,0,0,0,0|1,0,1]=4 3885 B7R1.1 OC[C@H]1CCCO1 MCULE-3501680239 [1,1,0,0,0,0|0,0,1]=3 3886 B7R1.1 OC[C@H]1CCCO1 MCULE-4925106568 [1,1,0,0,0,0|0,0,1]=3 3887 B7R1.1 OC[C@H]1CCNC1 MCULE-3909770597 [1,1,0,0,0,0|2,0,0]=4 3888 B7R1.1 OC[C@H]1CCNC1 MCULE-5006682123 [1,1,0,0,0,0|2,0,0]=4 3889 B7R1.1 OC[C@H]1CCNC1 MCULE-8265382423 [1,1,0,0,0,0|2,0,0]=4 3890 B7R1.1 OC[C@H]1CCNC1 MCULE-8371969680 [1,1,0,0,0,0|2,0,0]=4 3891 B7R1.1 OC[C@H]1CCOC1 MCULE-4226412289 [1,1,0,0,0,0|2,0,0]=4 3892 B7R1.1 OC[C@H]1CCOC1 MCULE-9076004118 [1,1,0,0,0,0|2,0,0]=4 3893 B7R1.1 ON=C1CCCC1 MCULE-9338449832 [1,1,0,0,0,0|1,0,1]=4 3894 B7R1.1 SCC1CCCC1 MCULE-7973872166 [1,1,0,0,0,0|1,0,1]=4 3895 B7R1.1 SCC1CCCO1 MCULE-5962232488 [1,1,0,0,0,0|0,0,1]=3 3896 B7R1.1 SCC1CCOC1 MCULE-4504314486 [1,1,0,0,0,0|2,0,0]=4 3897 B7R1.4 BrC1=C(CCC1)Br MCULE-2617233515 [1,1,0,0,0,0|2,0,0]=4 3898 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [1,1,0,0,0,0|1,0,0]=3 3899 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [1,1,0,0,0,0|1,0,0]=3 3900 B7R1.4 C=C1CCCC1O MCULE-3026250203 [1,1,0,0,0,0|2,0,0]=4 3901 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [1,1,0,0,0,0|1,0,1]=4 3902 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [1,1,0,0,0,0|0,0,1]=3 3903 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [1,1,0,0,0,0|1,0,1]=4 3904 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [1,1,0,0,0,0|0,0,2]=4 3905 B7R1.4 CC1CCCC1=O MCULE-3710290162 [1,1,0,0,0,0|1,0,0]=3 3906 B7R1.4 CC1CCCC1Br MCULE-7816907673 [1,1,0,0,0,0|1,0,1]=4 3907 B7R1.4 CC1CCCC1N MCULE-4318156403 [1,1,0,0,0,0|1,0,1]=4 3908 B7R1.4 CC1CCCC1N MCULE-4434172193 [1,1,0,0,0,0|1,0,1]=4 3909 B7R1.4 CC1CCCC1O MCULE-1288711765 [1,1,0,0,0,0|1,0,1]=4 3910 B7R1.4 CC1CCNC1=O MCULE-7799644249 [1,1,0,0,0,0|1,0,0]=3 3911 B7R1.4 CC1CCNC1C MCULE-2184586167 [1,1,0,0,0,0|1,0,1]=4 3912 B7R1.4 CC1CCOC1=O MCULE-2223078294 [1,1,0,0,0,0|0,0,0]=2 3913 B7R1.4 CC1CNCC1=O MCULE-2728909327 [1,1,0,0,0,0|2,0,0]=4 3914 B7R1.4 CC1CNCC1=O MCULE-9172381840 [1,1,0,0,0,0|2,0,0]=4 3915 B7R1.4 CC1CNCC1C MCULE-5821391512 [1,1,0,0,0,0|2,0,0]=4 3916 B7R1.4 CC1CNCC1C MCULE-6626101399 [1,1,0,0,0,0|2,0,0]=4 3917 B7R1.4 CC1CNCC1F MCULE-4834888455 [1,1,0,0,0,0|2,0,0]=4 3918 B7R1.4 CC1CNCC1F MCULE-7766072724 [1,1,0,0,0,0|2,0,0]=4 3919 B7R1.4 CC1CNCC1N MCULE-2314973615 [1,1,0,0,0,0|2,0,0]=4 3920 B7R1.4 CC1CNCC1N MCULE-8542352354 [1,1,0,0,0,0|2,0,0]=4 3921 B7R1.4 CC1CNCC1O MCULE-3308447861 [1,1,0,0,0,0|2,0,0]=4 3922 B7R1.4 CC1CNCC1O MCULE-8526879323 [1,1,0,0,0,0|2,0,0]=4 3923 B7R1.4 CC1COCC1=O MCULE-8115238635 [1,1,0,0,0,0|2,0,0]=4 3924 B7R1.4 CC1COCC1N MCULE-5453471722 [1,1,0,0,0,0|2,0,0]=4 3925 B7R1.4 CC1COCC1N MCULE-6647217023 [1,1,0,0,0,0|2,0,0]=4 3926 B7R1.4 CC1COCC1O MCULE-5925280081 [1,1,0,0,0,0|2,0,0]=4 3927 B7R1.4 CC1CSCC1=O MCULE-5611423322 [1,1,0,0,0,0|2,0,0]=4 3928 B7R1.4 CC1CSCC1N MCULE-5628200403 [1,1,0,0,0,0|2,0,0]=4 3929 B7R1.4 CC1NCCC1=O MCULE-4206844406 [1,1,0,0,0,0|2,0,0]=4 3930 B7R1.4 CC1NCCC1=O MCULE-7025918222 [1,1,0,0,0,0|2,0,0]=4 3931 B7R1.4 CC1NCCC1O MCULE-7936666458 [1,1,0,0,0,0|1,0,1]=4 3932 B7R1.4 CC1NCCC1O MCULE-8369948926 [1,1,0,0,0,0|1,0,1]=4 3933 B7R1.4 CC1OCCC1=O MCULE-8278816952 [1,1,0,0,0,0|0,0,2]=4 3934 B7R1.4 CC1OCCC1N MCULE-4343663724 [1,1,0,0,0,0|0,0,1]=3 3935 B7R1.4 CC1OCCC1N MCULE-9003879039 [1,1,0,0,0,0|0,0,1]=3 3936 B7R1.4 CC1OCCC1O MCULE-6904695721 [1,1,0,0,0,0|0,0,1]=3 3937 B7R1.4 CC1OCCC1S MCULE-9127694888 [1,1,0,0,0,0|0,0,1]=3 3938 B7R1.4 CC1OCOC1C MCULE-9497186094 [1,1,0,0,0,0|1,0,1]=4 3939 B7R1.4 CC1SCCC1=O MCULE-5264322365 [1,1,0,0,0,0|2,0,0]=4 3940 B7R1.4 CC1SCCC1N MCULE-5160182865 [1,1,0,0,0,0|0,1,1]=4 3941 B7R1.4 CC1SCCC1N MCULE-8827106279 [1,1,0,0,0,0|0,1,1]=4 3942 B7R1.4 CC1SCCC1O MCULE-4342593310 [1,1,0,0,0,0|0,1,1]=4 3943 B7R1.4 CN1CCCC1=O MCULE-1381506705 [1,1,0,0,0,0|1,0,0]=3 3944 B7R1.4 CN1CCCC1=S MCULE-1990879544 [1,1,0,0,0,0|1,1,0]=4 3945 B7R1.4 CN1CCNC1=O MCULE-9774864412 [1,1,0,0,0,0|2,0,0]=4 3946 B7R1.4 CN1CCOC1=O MCULE-7467321799 [1,1,0,0,0,0|1,0,0]=3 3947 B7R1.4 CN1CNCC1=O MCULE-2252466841 [1,1,0,0,0,0|2,0,0]=4 3948 B7R1.4 C[C@@H]1CCC[C@@H]1N MCULE-6206070680 [1,1,0,0,0,0|1,0,1]=4 3949 B7R1.4 C[C@@H]1CCC[C@@H]1N MCULE-9964938082 [1,1,0,0,0,0|1,0,1]=4 3950 B7R1.4 C[C@@H]1CCC[C@@H]1O MCULE-2617120620 [1,1,0,0,0,0|1,0,1]=4 3951 B7R1.4 C[C@@H]1CCC[C@H]1N MCULE-8385969474 [1,1,0,0,0,0|1,0,1]=4 3952 B7R1.4 C[C@@H]1CCC[C@H]1O MCULE-3398682980 [1,1,0,0,0,0|1,0,1]=4 3953 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [1,1,0,0,0,0|1,0,0]=3 3954 B7R1.4 C[C@@H]1CNC[C@@H]1C MCULE-4592161485 [1,1,0,0,0,0|2,0,0]=4 3955 B7R1.4 C[C@@H]1CNC[C@@H]1C MCULE-5506149631 [1,1,0,0,0,0|2,0,0]=4 3956 B7R1.4 C[C@@H]1CNC[C@@H]1F MCULE-4204399527 [1,1,0,0,0,0|2,0,0]=4 3957 B7R1.4 C[C@@H]1CNC[C@@H]1F MCULE-8451199903 [1,1,0,0,0,0|2,0,0]=4 3958 B7R1.4 C[C@@H]1CNC[C@@H]1N MCULE-2290594563 [1,1,0,0,0,0|2,0,0]=4 3959 B7R1.4 C[C@@H]1CNC[C@@H]1N MCULE-2611807697 [1,1,0,0,0,0|2,0,0]=4 3960 B7R1.4 C[C@@H]1CNC[C@@H]1N MCULE-3707409979 [1,1,0,0,0,0|2,0,0]=4 3961 B7R1.4 C[C@@H]1CNC[C@@H]1N MCULE-4317636252 [1,1,0,0,0,0|2,0,0]=4 3962 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-2015388080 [1,1,0,0,0,0|2,0,0]=4 3963 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-3625149028 [1,1,0,0,0,0|2,0,0]=4 3964 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-5773404554 [1,1,0,0,0,0|2,0,0]=4 3965 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-6014391902 [1,1,0,0,0,0|2,0,0]=4 3966 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-6476104556 [1,1,0,0,0,0|2,0,0]=4 3967 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-6537028059 [1,1,0,0,0,0|2,0,0]=4 3968 B7R1.4 C[C@@H]1CNC[C@H]1C MCULE-2567871968 [1,1,0,0,0,0|2,0,0]=4 3969 B7R1.4 C[C@@H]1CNC[C@H]1C MCULE-5626188867 [1,1,0,0,0,0|2,0,0]=4 3970 B7R1.4 C[C@@H]1CNC[C@H]1C MCULE-7438009663 [1,1,0,0,0,0|2,0,0]=4 3971 B7R1.4 C[C@@H]1CNC[C@H]1C MCULE-8649896095 [1,1,0,0,0,0|2,0,0]=4 3972 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-4207581523 [1,1,0,0,0,0|2,0,0]=4 3973 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-6158474994 [1,1,0,0,0,0|2,0,0]=4 3974 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-7380960276 [1,1,0,0,0,0|2,0,0]=4 3975 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-7589629864 [1,1,0,0,0,0|2,0,0]=4 3976 B7R1.4 C[C@@H]1COC[C@@H]1O MCULE-3198029643 [1,1,0,0,0,0|2,0,0]=4 3977 B7R1.4 C[C@@H]1COC[C@H]1N MCULE-1145772262 [1,1,0,0,0,0|2,0,0]=4 3978 B7R1.4 C[C@@H]1COC[C@H]1N MCULE-6639849267 [1,1,0,0,0,0|2,0,0]=4 3979 B7R1.4 C[C@@H]1COC[C@H]1N MCULE-9659959713 [1,1,0,0,0,0|2,0,0]=4 3980 B7R1.4 C[C@@H]1COC[C@H]1O MCULE-1967963278 [1,1,0,0,0,0|2,0,0]=4 3981 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-1705265213 [1,1,0,0,0,0|1,0,1]=4 3982 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-3395898129 [1,1,0,0,0,0|1,0,1]=4 3983 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-5909894286 [1,1,0,0,0,0|1,0,1]=4 3984 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-9998480727 [1,1,0,0,0,0|1,0,1]=4 3985 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-1101330824 [1,1,0,0,0,0|1,0,1]=4 3986 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-3326131093 [1,1,0,0,0,0|1,0,1]=4 3987 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-3941456644 [1,1,0,0,0,0|1,0,1]=4 3988 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-8944150043 [1,1,0,0,0,0|1,0,1]=4 3989 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-5910807847 [1,1,0,0,0,0|0,0,1]=3 3990 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-7586038907 [1,1,0,0,0,0|0,0,1]=3 3991 B7R1.4 C[C@H]1CCC[C@@H]1N MCULE-4150988023 [1,1,0,0,0,0|1,0,1]=4 3992 B7R1.4 C[C@H]1CCC[C@@H]1O MCULE-5212653059 [1,1,0,0,0,0|1,0,1]=4 3993 B7R1.4 C[C@H]1CCC[C@@H]1O MCULE-7997646273 [1,1,0,0,0,0|1,0,1]=4 3994 B7R1.4 C[C@H]1CCC[C@H]1N MCULE-3329868072 [1,1,0,0,0,0|1,0,1]=4 3995 B7R1.4 C[C@H]1CCC[C@H]1N MCULE-4186145172 [1,1,0,0,0,0|1,0,1]=4 3996 B7R1.4 C[C@H]1CCC[C@H]1O MCULE-3291842365 [1,1,0,0,0,0|1,0,1]=4 3997 B7R1.4 C[C@H]1CCC[C@H]1O MCULE-7570125274 [1,1,0,0,0,0|1,0,1]=4 3998 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [1,1,0,0,0,0|1,0,0]=3 3999 B7R1.4 C[C@H]1CCN[C@@H]1C MCULE-7622265949 [1,1,0,0,0,0|1,0,1]=4 4000 B7R1.4 C[C@H]1CCN[C@@H]1C MCULE-7686056776 [1,1,0,0,0,0|1,0,1]=4 4001 B7R1.4 C[C@H]1CNC[C@@H]1C MCULE-2214344957 [1,1,0,0,0,0|2,0,0]=4 4002 B7R1.4 C[C@H]1CNC[C@@H]1C MCULE-2877312650 [1,1,0,0,0,0|2,0,0]=4 4003 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-2282810666 [1,1,0,0,0,0|2,0,0]=4 4004 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-2772361871 [1,1,0,0,0,0|2,0,0]=4 4005 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-3274154422 [1,1,0,0,0,0|2,0,0]=4 4006 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-3608199633 [1,1,0,0,0,0|2,0,0]=4 4007 B7R1.4 C[C@H]1CNC[C@H]1N MCULE-6069899229 [1,1,0,0,0,0|2,0,0]=4 4008 B7R1.4 C[C@H]1CNC[C@H]1N MCULE-8539137579 [1,1,0,0,0,0|2,0,0]=4 4009 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-1988679936 [1,1,0,0,0,0|2,0,0]=4 4010 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-3451477960 [1,1,0,0,0,0|2,0,0]=4 4011 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-4396463600 [1,1,0,0,0,0|2,0,0]=4 4012 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-7975653844 [1,1,0,0,0,0|2,0,0]=4 4013 B7R1.4 C[C@H]1COC[C@@H]1O MCULE-3765921602 [1,1,0,0,0,0|2,0,0]=4 4014 B7R1.4 C[C@H]1COC[C@@H]1O MCULE-5201903195 [1,1,0,0,0,0|2,0,0]=4 4015 B7R1.4 C[C@H]1COC[C@H]1O MCULE-2974083166 [1,1,0,0,0,0|2,0,0]=4 4016 B7R1.4 C[C@H]1COC[C@H]1O MCULE-6725207001 [1,1,0,0,0,0|2,0,0]=4 4017 B7R1.4 C[C@H]1NCC[C@@H]1O MCULE-5499798144 [1,1,0,0,0,0|1,0,1]=4 4018 B7R1.4 C[C@H]1NCC[C@@H]1O MCULE-7401004387 [1,1,0,0,0,0|1,0,1]=4 4019 B7R1.4 C[C@H]1NCC[C@H]1O MCULE-7469942077 [1,1,0,0,0,0|1,0,1]=4 4020 B7R1.4 C[C@H]1NCC[C@H]1O MCULE-9976903585 [1,1,0,0,0,0|1,0,1]=4 4021 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-1432785321 [1,1,0,0,0,0|0,0,1]=3 4022 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-3008045787 [1,1,0,0,0,0|0,0,1]=3 4023 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-7656776924 [1,1,0,0,0,0|0,0,1]=3 4024 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-8087379612 [1,1,0,0,0,0|0,0,1]=3 4025 B7R1.4 ClC1CCOC1Cl MCULE-1186010832 [1,1,0,0,0,0|1,0,1]=4 4026 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [1,1,0,0,0,0|0,0,2]=4 4027 B7R1.4 NC1CCCC1=O MCULE-3654949473 [1,1,0,0,0,0|1,0,0]=3 4028 B7R1.4 NC1CCCC1=O MCULE-6579965788 [1,1,0,0,0,0|1,0,0]=3 4029 B7R1.4 NC1CCNC1=O MCULE-2061829370 [1,1,0,0,0,0|1,0,0]=3 4030 B7R1.4 NC1CCNC1=O MCULE-4272585488 [1,1,0,0,0,0|1,0,0]=3 4031 B7R1.4 NC1CCOC1=O MCULE-1011670330 [1,1,0,0,0,0|0,0,0]=2 4032 B7R1.4 NC1CCOC1=O MCULE-1366805966 [1,1,0,0,0,0|0,0,0]=2 4033 B7R1.4 NC1CCOC1=O MCULE-1874490478 [1,1,0,0,0,0|0,0,0]=2 4034 B7R1.4 NC1CCOC1=O MCULE-4434379753 [1,1,0,0,0,0|0,0,0]=2 4035 B7R1.4 NC1CCOC1=O MCULE-7302633352 [1,1,0,0,0,0|0,0,0]=2 4036 B7R1.4 NC1CCOC1=O MCULE-8009953591 [1,1,0,0,0,0|0,0,0]=2 4037 B7R1.4 NC1CCSC1=O MCULE-5181497015 [1,1,0,0,0,0|0,1,0]=3 4038 B7R1.4 NC1CCSC1=O MCULE-8775141567 [1,1,0,0,0,0|0,1,0]=3 4039 B7R1.4 NC1CONC1=O MCULE-3118867985 [1,1,0,0,0,0|2,0,0]=4 4040 B7R1.4 NC1CONC1=O MCULE-3159218372 [1,1,0,0,0,0|2,0,0]=4 4041 B7R1.4 NN1CCCC1=O MCULE-2994786381 [1,1,0,0,0,0|1,0,0]=3 4042 B7R1.4 NN1CCCC1=O MCULE-5599329775 [1,1,0,0,0,0|1,0,0]=3 4043 B7R1.4 NN1CCNC1=O MCULE-9094725216 [1,1,0,0,0,0|2,0,0]=4 4044 B7R1.4 NN1CCOC1=O MCULE-7407834106 [1,1,0,0,0,0|1,0,0]=3 4045 B7R1.4 NN1CCOC1=O MCULE-8091613930 [1,1,0,0,0,0|1,0,0]=3 4046 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [1,1,0,0,0,0|1,0,0]=3 4047 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [1,1,0,0,0,0|1,0,0]=3 4048 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [1,1,0,0,0,0|1,0,0]=3 4049 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [1,1,0,0,0,0|1,0,0]=3 4050 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [1,1,0,0,0,0|0,0,0]=2 4051 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [1,1,0,0,0,0|0,0,0]=2 4052 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [1,1,0,0,0,0|0,0,0]=2 4053 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [1,1,0,0,0,0|0,0,0]=2 4054 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [1,1,0,0,0,0|0,1,0]=3 4055 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [1,1,0,0,0,0|0,1,0]=3 4056 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [1,1,0,0,0,0|0,1,0]=3 4057 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [1,1,0,0,0,0|0,1,0]=3 4058 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [1,1,0,0,0,0|2,0,0]=4 4059 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [1,1,0,0,0,0|2,0,0]=4 4060 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [1,1,0,0,0,0|1,0,0]=3 4061 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [1,1,0,0,0,0|1,0,0]=3 4062 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [1,1,0,0,0,0|1,0,0]=3 4063 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [1,1,0,0,0,0|1,0,0]=3 4064 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [1,1,0,0,0,0|0,0,0]=2 4065 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [1,1,0,0,0,0|0,0,0]=2 4066 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [1,1,0,0,0,0|0,0,0]=2 4067 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [1,1,0,0,0,0|0,0,0]=2 4068 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [1,1,0,0,0,0|0,0,0]=2 4069 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [1,1,0,0,0,0|0,1,0]=3 4070 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [1,1,0,0,0,0|0,1,0]=3 4071 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [1,1,0,0,0,0|0,1,0]=3 4072 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [1,1,0,0,0,0|0,1,0]=3 4073 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [1,1,0,0,0,0|2,0,0]=4 4074 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [1,1,0,0,0,0|2,0,0]=4 4075 B7R1.4 O=C1CCC=C1Br MCULE-1509582125 [1,1,0,0,0,0|1,0,1]=4 4076 B7R1.4 O=C1CCC=C1I MCULE-2710048446 [1,1,0,0,0,0|1,0,1]=4 4077 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [1,1,0,0,0,0|1,0,1]=4 4078 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [1,1,0,0,0,0|1,0,0]=3 4079 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [1,1,0,0,0,0|1,0,0]=3 4080 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [1,1,0,0,0,0|1,0,0]=3 4081 B7R1.4 O=C1CCCC1F MCULE-8001765295 [1,1,0,0,0,0|1,0,0]=3 4082 B7R1.4 O=C1CCCC1O MCULE-6795188798 [1,1,0,0,0,0|1,0,0]=3 4083 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [1,1,0,0,0,0|1,0,1]=4 4084 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [1,1,0,0,0,0|1,0,0]=3 4085 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [1,1,0,0,0,0|1,0,0]=3 4086 B7R1.4 O=C1NCCC1F MCULE-2209899044 [1,1,0,0,0,0|1,0,0]=3 4087 B7R1.4 O=C1NCCC1O MCULE-8818841339 [1,1,0,0,0,0|1,0,0]=3 4088 B7R1.4 O=C1NCCC1O MCULE-9662824811 [1,1,0,0,0,0|1,0,0]=3 4089 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [1,1,0,0,0,0|1,0,0]=3 4090 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [1,1,0,0,0,0|1,0,0]=3 4091 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [1,1,0,0,0,0|1,0,0]=3 4092 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [1,1,0,0,0,0|1,0,0]=3 4093 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [1,1,0,0,0,0|0,0,2]=4 4094 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [1,1,0,0,0,0|0,0,0]=2 4095 B7R1.4 O=C1OCCC1O MCULE-2144002601 [1,1,0,0,0,0|0,0,0]=2 4096 B7R1.4 O=C1OCCC1S MCULE-2130434062 [1,1,0,0,0,0|0,0,0]=2 4097 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [1,1,0,0,0,0|0,0,0]=2 4098 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [1,1,0,0,0,0|0,0,0]=2 4099 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [1,1,0,0,0,0|0,0,0]=2 4100 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [1,1,0,0,0,0|0,0,0]=2 4101 B7R1.4 OC1CCC=C1Br MCULE-2577502971 [1,1,0,0,0,0|2,0,0]=4 4102 B7R1.4 [C@@H]1(CCC[C@H]1N)C MCULE-2430440513 [1,1,0,0,0,0|1,0,1]=4 4103 B7R1.4 [C@@H]1(CCC[C@H]1N)C MCULE-8503171996 [1,1,0,0,0,0|1,0,1]=4 4104 B7R1.4 [C@H]1(COC[C@H]1N)C MCULE-5920046767 [1,1,0,0,0,0|2,0,0]=4 4105 B7R1.4 [C@H]1(COC[C@H]1N)C MCULE-6282053067 [1,1,0,0,0,0|2,0,0]=4 4106 B7R1.4 [C@H]1(COC[C@H]1N)C MCULE-8432332245 [1,1,0,0,0,0|2,0,0]=4 4107 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [1,1,0,0,0,0|0,0,0]=2 4108 B7R1.14 CC1(C=CCC1)C MCULE-9154912302 [1,1,0,0,0,0|1,0,0]=3 4109 B7R1.14 CC1(CC=CC1)N MCULE-4544025985 [1,1,0,0,0,0|1,0,1]=4 4110 B7R1.14 CC1(CC=CC1)N MCULE-5362076886 [1,1,0,0,0,0|1,0,1]=4 4111 B7R1.14 CC1(CCCC1)Br MCULE-8706490914 [1,1,0,0,0,0|1,0,1]=4 4112 B7R1.14 CC1(CCCC1)N MCULE-1696024032 [1,1,0,0,0,0|1,0,1]=4 4113 B7R1.14 CC1(CCCC1)N MCULE-7897960444 [1,1,0,0,0,0|1,0,1]=4 4114 B7R1.14 CC1(CCCC1)O MCULE-1425529053 [1,1,0,0,0,0|1,0,1]=4 4115 B7R1.14 CC1(CCCN1)C MCULE-3172250386 [1,1,0,0,0,0|1,0,1]=4 4116 B7R1.14 CC1(CCCN1)C MCULE-6227706175 [1,1,0,0,0,0|1,0,1]=4 4117 B7R1.14 CC1(CCNC1)C MCULE-3460660754 [1,1,0,0,0,0|2,0,0]=4 4118 B7R1.14 CC1(CCNC1)C MCULE-7874744806 [1,1,0,0,0,0|2,0,0]=4 4119 B7R1.14 CC1(CCNC1)C MCULE-9717378283 [1,1,0,0,0,0|2,0,0]=4 4120 B7R1.14 CC1(CCNC1)F MCULE-1205333206 [1,1,0,0,0,0|2,0,0]=4 4121 B7R1.14 CC1(CCNC1)F MCULE-8512729081 [1,1,0,0,0,0|2,0,0]=4 4122 B7R1.14 CC1(CCNC1)N MCULE-9317786482 [1,1,0,0,0,0|2,0,0]=4 4123 B7R1.14 CC1(CCNC1)N MCULE-9638120938 [1,1,0,0,0,0|2,0,0]=4 4124 B7R1.14 CC1(CCNC1)O MCULE-1812572207 [1,1,0,0,0,0|2,0,0]=4 4125 B7R1.14 CC1(CCNC1)O MCULE-3978790995 [1,1,0,0,0,0|2,0,0]=4 4126 B7R1.14 CC1(CCNC1)O MCULE-6355817754 [1,1,0,0,0,0|2,0,0]=4 4127 B7R1.14 CC1(CCNC1)O MCULE-7199660654 [1,1,0,0,0,0|2,0,0]=4 4128 B7R1.14 CC1(CCOC1)N MCULE-1997756007 [1,1,0,0,0,0|2,0,0]=4 4129 B7R1.14 CC1(CCOC1)N MCULE-5807249895 [1,1,0,0,0,0|2,0,0]=4 4130 B7R1.14 CC1(CCOC1)O MCULE-5065022086 [1,1,0,0,0,0|2,0,0]=4 4131 B7R1.14 CC1(CCSC1)O MCULE-3138867143 [1,1,0,0,0,0|2,0,0]=4 4132 B7R1.14 CC1(CN=CN1)C MCULE-2151532658 [1,1,0,0,0,0|2,0,0]=4 4133 B7R1.14 CC1(COC=N1)C MCULE-6704291423 [1,1,0,0,0,0|2,0,0]=4 4134 B7R1.14 CC1(NCCO1)C MCULE-5384206883 [1,1,0,0,0,0|1,0,1]=4 4135 B7R1.14 CC1(OCCO1)C MCULE-3382136459 [1,1,0,0,0,0|1,0,1]=4 4136 B7R1.14 C[C@@]1(CCNC1)F MCULE-1340440767 [1,1,0,0,0,0|2,0,0]=4 4137 B7R1.14 C[C@@]1(CCNC1)F MCULE-5898059594 [1,1,0,0,0,0|2,0,0]=4 4138 B7R1.14 C[C@@]1(CCNC1)F MCULE-6901424312 [1,1,0,0,0,0|2,0,0]=4 4139 B7R1.14 C[C@@]1(CCNC1)F MCULE-9433824470 [1,1,0,0,0,0|2,0,0]=4 4140 B7R1.14 C[C@@]1(CCNC1)N MCULE-3652011553 [1,1,0,0,0,0|2,0,0]=4 4141 B7R1.14 C[C@@]1(CCNC1)O MCULE-2185266890 [1,1,0,0,0,0|2,0,0]=4 4142 B7R1.14 C[C@@]1(CCNC1)O MCULE-4472850857 [1,1,0,0,0,0|2,0,0]=4 4143 B7R1.14 C[C@@]1(CCNC1)O MCULE-7216590589 [1,1,0,0,0,0|2,0,0]=4 4144 B7R1.14 C[C@@]1(CCNC1)O MCULE-9031112405 [1,1,0,0,0,0|2,0,0]=4 4145 B7R1.14 C[C@]1(CCNC1)F MCULE-1291336282 [1,1,0,0,0,0|2,0,0]=4 4146 B7R1.14 C[C@]1(CCNC1)F MCULE-2571688853 [1,1,0,0,0,0|2,0,0]=4 4147 B7R1.14 C[C@]1(CCNC1)O MCULE-2513078981 [1,1,0,0,0,0|2,0,0]=4 4148 B7R1.14 C[C@]1(CCNC1)O MCULE-2837064957 [1,1,0,0,0,0|2,0,0]=4 4149 B7R1.14 C[C@]1(CCNC1)O MCULE-5133863014 [1,1,0,0,0,0|2,0,0]=4 4150 B7R1.14 C[C@]1(CCNC1)O MCULE-5887726834 [1,1,0,0,0,0|2,0,0]=4 4151 B7R1.14 N=S1(=O)CCCC1 MCULE-6922708158 [1,1,0,0,0,0|2,0,0]=4 4152 B7R1.14 O=P1(CCCC1)Cl MCULE-9877294162 [1,1,0,0,0,0|2,0,0]=4 4153 B7R1.14 O=P1(OCCO1)Cl MCULE-8220157277 [1,1,0,0,0,0|2,0,0]=4 4154 B7R1.14 O=S1(=O)CCCC1 MCULE-3506686856 [1,1,0,0,0,0|2,0,0]=4 4155 B7R1.14 O=S1(=O)CCCN1 MCULE-8201546192 [1,1,0,0,0,0|2,0,0]=4 4156 B7R1.14 O=S1(=O)CCCO1 MCULE-4897687828 [1,1,0,0,0,0|1,0,0]=3 4157 B7R1.14 O=S1(=O)NCCO1 MCULE-2978152198 [1,1,0,0,0,0|2,0,0]=4 4158 B7R1.14 O=S1(=O)OCCO1 MCULE-4563579294 [1,1,0,0,0,0|2,0,0]=4 4159 B7R1.8 CC1CCC1C=O MCULE-9541644884 [0,1,0,0,1,0|0,0,1]=3 4160 B7R1.8 CC1CCC1CO MCULE-4677269341 [0,1,0,0,1,0|0,0,2]=4 4161 B7R1.8 CCC1CCC1=O MCULE-5109615435 [0,1,0,0,1,0|0,0,0]=2 4162 B7R1.8 CN1CCC1CN MCULE-2100632643 [0,1,0,0,1,0|2,0,0]=4 4163 B7R1.8 CN1CCC1CN MCULE-3660614289 [0,1,0,0,1,0|2,0,0]=4 4164 B7R1.8 CN1CCC1CN MCULE-3692131671 [0,1,0,0,1,0|2,0,0]=4 4165 B7R1.8 CN1CCC1CN MCULE-7629527689 [0,1,0,0,1,0|2,0,0]=4 4166 B7R1.8 CN1CCC1CO MCULE-3475629266 [0,1,0,0,1,0|2,0,0]=4 4167 B7R1.8 CN1CC[C@@H]1CN MCULE-3688982926 [0,1,0,0,1,0|2,0,0]=4 4168 B7R1.8 CN1CC[C@@H]1CN MCULE-5002925247 [0,1,0,0,1,0|2,0,0]=4 4169 B7R1.8 CN1CC[C@@H]1CN MCULE-7546481794 [0,1,0,0,1,0|2,0,0]=4 4170 B7R1.8 CN1CC[C@@H]1CO MCULE-2590783241 [0,1,0,0,1,0|2,0,0]=4 4171 B7R1.8 CN1CC[C@@H]1CO MCULE-9683847113 [0,1,0,0,1,0|2,0,0]=4 4172 B7R1.8 CN1CC[C@H]1CN MCULE-1178047911 [0,1,0,0,1,0|2,0,0]=4 4173 B7R1.8 CN1CC[C@H]1CN MCULE-1250398573 [0,1,0,0,1,0|2,0,0]=4 4174 B7R1.8 CN1CC[C@H]1CN MCULE-2733818158 [0,1,0,0,1,0|2,0,0]=4 4175 B7R1.8 CN1CC[C@H]1CN MCULE-4100743401 [0,1,0,0,1,0|2,0,0]=4 4176 B7R1.8 CN1CC[C@H]1CN MCULE-4459814320 [0,1,0,0,1,0|2,0,0]=4 4177 B7R1.8 CN1CC[C@H]1CN MCULE-4703409645 [0,1,0,0,1,0|2,0,0]=4 4178 B7R1.8 CN1CC[C@H]1CN MCULE-6317046346 [0,1,0,0,1,0|2,0,0]=4 4179 B7R1.8 CN1CC[C@H]1CN MCULE-7413844263 [0,1,0,0,1,0|2,0,0]=4 4180 B7R1.8 CN1CC[C@H]1CO MCULE-6507300625 [0,1,0,0,1,0|2,0,0]=4 4181 B7R1.8 CN1CC[C@H]1CO MCULE-9641004134 [0,1,0,0,1,0|2,0,0]=4 4182 B7R1.8 CN[C@H]1CC[C@@H]1O MCULE-4638367588 [0,1,0,0,1,0|0,0,2]=4 4183 B7R1.8 COC1CCC1=O MCULE-6511996246 [0,1,0,0,1,0|0,0,0]=2 4184 B7R1.8 COC1CCC1N MCULE-4537411385 [0,1,0,0,1,0|1,0,1]=4 4185 B7R1.8 COC1CCC1N MCULE-6423037026 [0,1,0,0,1,0|1,0,1]=4 4186 B7R1.8 CO[C@@H]1CC[C@@H]1N MCULE-3087283983 [0,1,0,0,1,0|1,0,1]=4 4187 B7R1.8 CO[C@@H]1CC[C@@H]1N MCULE-8723342484 [0,1,0,0,1,0|1,0,1]=4 4188 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-1324573121 [0,1,0,0,1,0|1,0,1]=4 4189 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-4430321170 [0,1,0,0,1,0|1,0,1]=4 4190 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-4876260929 [0,1,0,0,1,0|1,0,1]=4 4191 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-5060858396 [0,1,0,0,1,0|1,0,1]=4 4192 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-5711735047 [0,1,0,0,1,0|1,0,1]=4 4193 B7R1.8 CO[C@@H]1CC[C@H]1N MCULE-9952102635 [0,1,0,0,1,0|1,0,1]=4 4194 B7R1.8 CO[C@H]1CC[C@@H]1N MCULE-2991866514 [0,1,0,0,1,0|1,0,1]=4 4195 B7R1.8 CO[C@H]1CC[C@@H]1N MCULE-9729569658 [0,1,0,0,1,0|1,0,1]=4 4196 B7R1.8 CO[C@H]1CC[C@H]1N MCULE-9859722305 [0,1,0,0,1,0|1,0,1]=4 4197 B7R1.8 CO[C@H]1CC[C@H]1N MCULE-9948570347 [0,1,0,0,1,0|1,0,1]=4 4198 B7R1.8 CSC1CCC1=O MCULE-3892720319 [0,1,0,0,1,0|0,0,0]=2 4199 B7R1.8 N#CC1CCC1=O MCULE-3371494435 [0,1,0,0,1,0|0,0,1]=3 4200 B7R1.8 NCC1CCC1F MCULE-6621673772 [0,1,0,0,1,0|1,0,1]=4 4201 B7R1.8 NCC1CCC1F MCULE-8982565541 [0,1,0,0,1,0|1,0,1]=4 4202 B7R1.8 O=C1CCC1CO MCULE-5501600764 [0,1,0,0,1,0|0,0,0]=2 4203 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [0,1,0,0,1,0|0,0,0]=2 4204 B7R1.8 OCC1CCC1F MCULE-2481035584 [0,1,0,0,1,0|1,0,1]=4 4205 B7R1.8 OCC1CCC1O MCULE-9764745395 [0,1,0,0,1,0|0,0,2]=4 4206 B7R1.8 OC[C@@H]1CC[C@H]1O MCULE-5043281368 [0,1,0,0,1,0|0,0,2]=4 4207 B7R1.8 OC[C@H]1CC[C@H]1O MCULE-1536326248 [0,1,0,0,1,0|0,0,2]=4 4208 B7R1.15 CC1CC(=O)C1C MCULE-1068922218 [0,1,0,0,1,0|0,0,0]=2 4209 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2032555036 [0,1,0,0,1,0|2,0,0]=4 4210 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2738127555 [0,1,0,0,1,0|2,0,0]=4 4211 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-5044901082 [0,1,0,0,1,0|2,0,0]=4 4212 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-7632990759 [0,1,0,0,1,0|2,0,0]=4 4213 B7R1.17 CC1(CCC1=O)C MCULE-3723871956 [0,1,0,0,1,0|0,0,0]=2 4214 B7R1.17 CC1(CCC1Br)C MCULE-2707590334 [0,1,0,0,1,0|1,0,1]=4 4215 B7R1.17 CC1(CCC1N)C MCULE-3143969489 [0,1,0,0,1,0|1,0,1]=4 4216 B7R1.17 CC1(CCC1N)C MCULE-7719131610 [0,1,0,0,1,0|1,0,1]=4 4217 B7R1.17 CC1(CCC1O)C MCULE-7385359414 [0,1,0,0,1,0|0,0,2]=4 4218 B7R1.17 CC1(CC[C@@H]1O)C MCULE-9766955692 [0,1,0,0,1,0|0,0,2]=4 4219 B7R1.17 CC1(CNC1=O)C MCULE-3476087791 [0,1,0,0,1,0|1,0,0]=3 4220 B7R1.17 CC1(OCC1=O)C MCULE-5758313494 [0,1,0,0,1,0|1,0,0]=3 4221 B7R1.17 CC1CNS1(=O)=O MCULE-9736489046 [0,1,0,0,1,0|2,0,0]=4 4222 B7R1.17 O=C1CCC1(Br)Br MCULE-8976658449 [0,1,0,0,1,0|1,0,0]=3 4223 B7R1.17 O=C1CCC1(F)F MCULE-4827224161 [0,1,0,0,1,0|1,0,0]=3 4224 B7R1.10 C#CC1CC(=O)C1 MCULE-3858789141 [0,1,0,0,1,0|1,0,1]=4 4225 B7R1.10 C=C1CC(C1)CBr MCULE-5306604568 [0,1,0,0,1,0|2,0,0]=4 4226 B7R1.10 C=C1CC(C1)CN MCULE-1227151583 [0,1,0,0,1,0|2,0,0]=4 4227 B7R1.10 C=C1CC(C1)CO MCULE-6295731045 [0,1,0,0,1,0|2,0,0]=4 4228 B7R1.10 C=C1CC(C1)NC MCULE-3988893291 [0,1,0,0,1,0|2,0,0]=4 4229 B7R1.10 C=CC1CC(=O)C1 MCULE-2741892250 [0,1,0,0,1,0|1,0,1]=4 4230 B7R1.10 C=CC1CC(=O)N1 MCULE-2790457728 [0,1,0,0,1,0|1,0,1]=4 4231 B7R1.10 CC1CC(C1)C=O MCULE-1258886786 [0,1,0,0,1,0|1,0,1]=4 4232 B7R1.10 CCC1CC(=O)C1 MCULE-6356390328 [0,1,0,0,1,0|1,0,0]=3 4233 B7R1.10 COC1CC(=O)C1 MCULE-3488458490 [0,1,0,0,1,0|1,0,0]=3 4234 B7R1.10 CSC1CC(=O)C1 MCULE-4578180421 [0,1,0,0,1,0|1,0,0]=3 4235 B7R1.10 N#CC1CC(=O)C1 MCULE-7054848642 [0,1,0,0,1,0|1,0,1]=4 4236 B7R1.10 NCC1CC(=O)C1 MCULE-2475090953 [0,1,0,0,1,0|1,0,0]=3 4237 B7R1.10 NCC1CC(=O)C1 MCULE-3448735299 [0,1,0,0,1,0|1,0,0]=3 4238 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [0,1,0,0,1,0|1,0,0]=3 4239 B7R1.10 O=C1CC(C1)CBr MCULE-3146426428 [0,1,0,0,1,0|1,0,0]=3 4240 B7R1.10 O=C1CC(C1)CCl MCULE-9945216137 [0,1,0,0,1,0|1,0,0]=3 4241 B7R1.10 O=C1CC(C1)CF MCULE-5064337976 [0,1,0,0,1,0|1,0,0]=3 4242 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [0,1,0,0,1,0|1,0,0]=3 4243 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [0,1,0,0,1,0|1,0,0]=3 4244 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [0,1,0,0,1,0|1,0,0]=3 4245 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [0,1,0,0,1,0|1,0,0]=3 4246 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [0,1,0,0,1,0|0,0,0]=2 4247 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [0,1,0,0,1,0|1,0,0]=3 4248 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [0,1,0,0,1,0|1,0,0]=3 4249 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [0,1,0,0,1,0|1,0,0]=3 4250 B7R1.16 CC1(CC(=O)C1)C MCULE-4306266527 [0,1,0,0,1,0|1,0,0]=3 4251 B7R1.16 CC1(CC(=O)C1)N MCULE-1739432720 [0,1,0,0,1,0|1,0,0]=3 4252 B7R1.16 CC1(CC(=O)C1)N MCULE-2529462721 [0,1,0,0,1,0|1,0,0]=3 4253 B7R1.16 CC1(CC(=O)N1)C MCULE-5555898363 [0,1,0,0,1,0|1,0,0]=3 4254 B7R1.16 O=C1CC(C1)(F)F MCULE-6471478479 [0,1,0,0,1,0|2,0,0]=4 4255 B9R1.1 C#CC1CCC(=O)CC1 MCULE-3898335754 [0,1,0,0,0,1|1,0,1]=4 4256 B9R1.1 C=C1CCC(CC1)CBr MCULE-5672551682 [0,1,0,0,0,1|2,0,0]=4 4257 B9R1.1 C=C1CCC(CC1)CN MCULE-1955200336 [0,1,0,0,0,1|2,0,0]=4 4258 B9R1.1 C=C1CCC(CC1)CN MCULE-9788548947 [0,1,0,0,0,1|2,0,0]=4 4259 B9R1.1 C=C1CCC(CC1)CO MCULE-2073650564 [0,1,0,0,0,1|2,0,0]=4 4260 B9R1.1 CC1=CCC(CC1)CO MCULE-6377131123 [0,1,0,0,0,1|2,0,0]=4 4261 B9R1.1 CC1CCC(=CBr)CC1 MCULE-5410482282 [0,1,0,0,0,1|2,0,0]=4 4262 B9R1.1 CC1CCC(=NO)CC1 MCULE-2071848184 [0,1,0,0,0,1|1,0,1]=4 4263 B9R1.1 CC1CCC(CC1)C=O MCULE-9251304568 [0,1,0,0,0,1|1,0,1]=4 4264 B9R1.1 CCC1CCC(=O)CC1 MCULE-4419010963 [0,1,0,0,0,1|1,0,0]=3 4265 B9R1.1 CCN1CCC(=O)CC1 MCULE-7687588927 [0,1,0,0,0,1|2,0,0]=4 4266 B9R1.1 CNC1CCC(=O)CC1 MCULE-1156128032 [0,1,0,0,0,1|1,0,0]=3 4267 B9R1.1 CNC1CCC(=O)CC1 MCULE-3156763747 [0,1,0,0,0,1|1,0,0]=3 4268 B9R1.1 CNC1CCS(=O)CC1 MCULE-4432912107 [0,1,0,0,0,1|2,0,0]=4 4269 B9R1.1 CNC1CCS(=O)CC1 MCULE-4639491933 [0,1,0,0,0,1|2,0,0]=4 4270 B9R1.1 COC1CCC(=O)CC1 MCULE-7787037916 [0,1,0,0,0,1|1,0,0]=3 4271 B9R1.1 CON1CCC(=O)CC1 MCULE-8882974205 [0,1,0,0,0,1|2,0,0]=4 4272 B9R1.1 C[C@H]1CC[C@@H](CC1)C=O MCULE-9199101836 [0,1,0,0,0,1|1,0,1]=4 4273 B9R1.1 N#CC1CCC(=O)CC1 MCULE-5959451916 [0,1,0,0,0,1|1,0,1]=4 4274 B9R1.1 NC1CCC(OC1)CO MCULE-4245301257 [0,1,0,0,0,1|1,0,1]=4 4275 B9R1.1 NC1CCC(OC1)CO MCULE-4483575448 [0,1,0,0,0,1|1,0,1]=4 4276 B9R1.1 NCC1CCC(=O)CC1 MCULE-6777974410 [0,1,0,0,0,1|1,0,0]=3 4277 B9R1.1 NCC1CCC(=O)CC1 MCULE-8440793392 [0,1,0,0,0,1|1,0,0]=3 4278 B9R1.1 NCC1CCC(=O)NC1 MCULE-5893065665 [0,1,0,0,0,1|1,0,0]=3 4279 B9R1.1 NCC1CCC(=O)NC1 MCULE-9881642861 [0,1,0,0,0,1|1,0,0]=3 4280 B9R1.1 NCC1CCC(CO1)O MCULE-3286854000 [0,1,0,0,0,1|0,0,2]=4 4281 B9R1.1 NCC1CNC(=O)CO1 MCULE-1373630821 [0,1,0,0,0,1|1,0,0]=3 4282 B9R1.1 NCC1CNC(=O)CO1 MCULE-2564136433 [0,1,0,0,0,1|1,0,0]=3 4283 B9R1.1 NC[C@H]1CCC(=O)NC1 MCULE-9489755430 [0,1,0,0,0,1|1,0,0]=3 4284 B9R1.1 N[C@@H]1CC[C@H](OC1)CO MCULE-5075594203 [0,1,0,0,0,1|1,0,1]=4 4285 B9R1.1 N[C@@H]1CC[C@H](OC1)CO MCULE-6987959950 [0,1,0,0,0,1|1,0,1]=4 4286 B9R1.1 N[C@H]1CC[C@H](OC1)CO MCULE-2411909324 [0,1,0,0,0,1|1,0,1]=4 4287 B9R1.1 O=C1CCC(CC1)CBr MCULE-8223349080 [0,1,0,0,0,1|1,0,0]=3 4288 B9R1.1 O=C1CCC(CC1)CF MCULE-2139942920 [0,1,0,0,0,1|1,0,0]=3 4289 B9R1.1 O=C1CCC(CC1)CO MCULE-4178685012 [0,1,0,0,0,1|1,0,0]=3 4290 B9R1.1 O=C1CCC(CN1)CBr MCULE-4686085649 [0,1,0,0,0,1|1,0,0]=3 4291 B9R1.1 O=C1CCC(CN1)CO MCULE-5019571847 [0,1,0,0,0,1|1,0,0]=3 4292 B9R1.1 O=C1CNC(CN1)CF MCULE-3284861757 [0,1,0,0,0,1|2,0,0]=4 4293 B9R1.1 O=C1COC(CN1)CBr MCULE-8897613695 [0,1,0,0,0,1|1,0,0]=3 4294 B9R1.1 O=C1COC(CN1)CO MCULE-3703451145 [0,1,0,0,0,1|1,0,0]=3 4295 B9R1.1 O=C1COC(CN1)CO MCULE-5925278805 [0,1,0,0,0,1|1,0,0]=3 4296 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-1871269946 [0,1,0,0,0,1|1,0,0]=3 4297 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-9723228936 [0,1,0,0,0,1|1,0,0]=3 4298 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-2317836867 [0,1,0,0,0,1|1,0,0]=3 4299 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-9180023061 [0,1,0,0,0,1|1,0,0]=3 4300 B9R1.1 O=C1NCC(CN1)CO MCULE-7349716251 [0,1,0,0,0,1|2,0,0]=4 4301 B9R1.1 O=CC1CCC(=O)CC1 MCULE-3607149578 [0,1,0,0,0,1|1,0,1]=4 4302 B9R1.1 OCC1CCC(CO1)O MCULE-4333559257 [0,1,0,0,0,1|0,0,2]=4 4303 B9R1.10 C=C1CCC(CC1)(C)C MCULE-6725048489 [0,1,0,0,0,1|2,0,0]=4 4304 B9R1.10 CC1(C=CC(=O)CC1)C MCULE-5124770449 [0,1,0,0,0,1|1,0,0]=3 4305 B9R1.10 CC1(CC=C(CC1)Br)C MCULE-3834862289 [0,1,0,0,0,1|2,0,0]=4 4306 B9R1.10 CC1(CCC(=O)CC1)C MCULE-3284069816 [0,1,0,0,0,1|1,0,0]=3 4307 B9R1.10 CC1(CCC(=O)CC1)F MCULE-9421002041 [0,1,0,0,0,1|1,0,0]=3 4308 B9R1.10 CC1(CCC(=O)CC1)N MCULE-5485763382 [0,1,0,0,0,1|1,0,0]=3 4309 B9R1.10 CC1(CCC(=O)CC1)N MCULE-5566670089 [0,1,0,0,0,1|1,0,0]=3 4310 B9R1.10 CC1(CCC(=O)CC1)O MCULE-2229659445 [0,1,0,0,0,1|1,0,0]=3 4311 B9R1.10 CC1(CCC(=O)NC1)C MCULE-9831115400 [0,1,0,0,0,1|1,0,0]=3 4312 B9R1.10 CC1(CCC(=O)NC1)O MCULE-7575084639 [0,1,0,0,0,1|1,0,0]=3 4313 B9R1.10 CC1(CCC(CO1)N)C MCULE-4655676422 [0,1,0,0,0,1|1,0,1]=4 4314 B9R1.10 CC1(CNC(=O)CN1)C MCULE-9513973165 [0,1,0,0,0,1|2,0,0]=4 4315 B9R1.10 CC1(CNC(=O)CO1)C MCULE-8027766035 [0,1,0,0,0,1|1,0,0]=3 4316 B9R1.10 CC1(COC(=O)OC1)C MCULE-7387597557 [0,1,0,0,0,1|1,0,0]=3 4317 B9R1.10 CC1(COS(=O)OC1)C MCULE-5147039182 [0,1,0,0,0,1|2,0,0]=4 4318 B9R1.10 CC1(OCC(=O)CO1)C MCULE-4531040287 [0,1,0,0,0,1|1,0,0]=3 4319 B9R1.10 CC1=CCC(CC1)(C)N MCULE-5027299304 [0,1,0,0,0,1|2,0,0]=4 4320 B9R1.10 CC1=CCC(CC1)(C)N MCULE-6100124607 [0,1,0,0,0,1|2,0,0]=4 4321 B9R1.10 C[N+]1(CCC(=O)CC1)C MCULE-4233939262 [0,1,0,0,0,1|2,0,0]=4 4322 B9R1.10 C[N+]1(CCC(=O)CC1)C MCULE-6424774965 [0,1,0,0,0,1|2,0,0]=4 4323 B9R1.10 C[Si]1(CCC(=O)CC1)C MCULE-5205216597 [0,1,0,0,0,1|1,1,0]=4 4324 B9R1.10 O=C1C=CC(CC1)(F)F MCULE-2670379055 [0,1,0,0,0,1|2,0,0]=4 4325 B9R1.10 O=C1CCC(CC1)(F)F MCULE-2540374051 [0,1,0,0,0,1|2,0,0]=4 4326 B9R1.10 O=C1CCC(CN1)(F)F MCULE-5822819851 [0,1,0,0,0,1|2,0,0]=4 4327 B9R1.69 C1(CN(C(=O)CN1)C)C MCULE-2356694893 [0,1,0,0,0,1|2,0,0]=4 4328 B9R1.69 C1(CN(C(=O)CN1)C)C MCULE-3701241538 [0,1,0,0,0,1|2,0,0]=4 4329 B9R1.69 CC1=NN(C(=O)CC1)C MCULE-6057053372 [0,1,0,0,0,1|1,0,1]=4 4330 B9R1.69 CC1=NNC(=O)CC1C MCULE-3840929129 [0,1,0,0,0,1|1,0,1]=4 4331 B9R1.69 CC1CC(=O)CCC1O MCULE-7552412875 [0,1,0,0,0,1|2,0,0]=4 4332 B9R1.69 CC1CC(=O)CCN1C MCULE-7342530598 [0,1,0,0,0,1|2,0,0]=4 4333 B9R1.69 CC1CC(CCC1=O)O MCULE-4154713632 [0,1,0,0,0,1|2,0,0]=4 4334 B9R1.69 CC1CCC(=O)C(C1)C MCULE-3520631102 [0,1,0,0,0,1|1,0,0]=3 4335 B9R1.69 CC1CCC(=O)C=C1O MCULE-7850328397 [0,1,0,0,0,1|1,0,0]=3 4336 B9R1.69 CC1CCC(=O)CC1=O MCULE-6498795822 [0,1,0,0,0,1|1,0,0]=3 4337 B9R1.69 CC1CCC(=O)CC1C MCULE-5304188182 [0,1,0,0,0,1|1,0,0]=3 4338 B9R1.69 CC1CCC(=O)N(C1)C MCULE-1335993518 [0,1,0,0,0,1|1,0,0]=3 4339 B9R1.69 CC1CCC(=O)NC1=O MCULE-4999120435 [0,1,0,0,0,1|1,0,0]=3 4340 B9R1.69 CC1CN(C(=O)CN1)C MCULE-1635332237 [0,1,0,0,0,1|2,0,0]=4 4341 B9R1.69 CC1CN(C(=O)CN1)C MCULE-9918100238 [0,1,0,0,0,1|2,0,0]=4 4342 B9R1.69 CC1CN(CCC1=O)C MCULE-2657347941 [0,1,0,0,0,1|2,0,0]=4 4343 B9R1.69 CC1CNC(=O)C(N1)C MCULE-6975048213 [0,1,0,0,0,1|2,0,0]=4 4344 B9R1.69 CC1CNC(=O)C(O1)C MCULE-2957841626 [0,1,0,0,0,1|1,0,0]=3 4345 B9R1.69 CC1CNC(=O)CC1=O MCULE-2909713030 [0,1,0,0,0,1|1,0,1]=4 4346 B9R1.69 CC1CNC(=O)N(C1)C MCULE-1002866130 [0,1,0,0,0,1|2,0,0]=4 4347 B9R1.69 CC1NC(=O)CCC1N MCULE-2884344617 [0,1,0,0,0,1|2,0,0]=4 4348 B9R1.69 CC1NC(=O)CCC1O MCULE-3879531993 [0,1,0,0,0,1|2,0,0]=4 4349 B9R1.69 CC1SCC(=O)CC1=O MCULE-3166347796 [0,1,0,0,0,1|0,1,1]=4 4350 B9R1.69 CC1SCC(=O)OC1=O MCULE-4179176992 [0,1,0,0,0,1|1,0,0]=3 4351 B9R1.69 CN1CC(CCC1=O)N MCULE-3963982685 [0,1,0,0,0,1|2,0,0]=4 4352 B9R1.69 CN1CC(CCC1=O)N MCULE-5748915949 [0,1,0,0,0,1|2,0,0]=4 4353 B9R1.69 CN1CC(CCC1=O)N MCULE-6364341404 [0,1,0,0,0,1|2,0,0]=4 4354 B9R1.69 CN1CC(CCC1=O)O MCULE-4021195315 [0,1,0,0,0,1|2,0,0]=4 4355 B9R1.69 CN1CCC(=O)C(C1)F MCULE-7137645519 [0,1,0,0,0,1|2,0,0]=4 4356 B9R1.69 CN1CCC(=O)CC1=O MCULE-7583281341 [0,1,0,0,0,1|2,0,0]=4 4357 B9R1.69 CN1CCC(=O)NC1=O MCULE-1338210074 [0,1,0,0,0,1|2,0,0]=4 4358 B9R1.69 CN1C[C@@H](CCC1=O)N MCULE-5278708810 [0,1,0,0,0,1|2,0,0]=4 4359 B9R1.69 CN1C[C@H](CCC1=O)N MCULE-3815293463 [0,1,0,0,0,1|2,0,0]=4 4360 B9R1.69 CN1C[C@H](CCC1=O)N MCULE-7566756339 [0,1,0,0,0,1|2,0,0]=4 4361 B9R1.69 CN1C[C@H](CCC1=O)N MCULE-7777098063 [0,1,0,0,0,1|2,0,0]=4 4362 B9R1.69 CN1C[C@H](CCC1=O)N MCULE-8273332398 [0,1,0,0,0,1|2,0,0]=4 4363 B9R1.69 C[C@@H]1CC(=O)CC[C@@H]1O MCULE-8675773780 [0,1,0,0,0,1|2,0,0]=4 4364 B9R1.69 C[C@@H]1CN(C(=O)CN1)C MCULE-2129533322 [0,1,0,0,0,1|2,0,0]=4 4365 B9R1.69 C[C@@H]1CN(C(=O)CN1)C MCULE-8004080888 [0,1,0,0,0,1|2,0,0]=4 4366 B9R1.69 C[C@@H]1CN(C(=O)CN1)C MCULE-9037698900 [0,1,0,0,0,1|2,0,0]=4 4367 B9R1.69 C[C@@H]1CN(C(=O)CN1)C MCULE-9720822564 [0,1,0,0,0,1|2,0,0]=4 4368 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C MCULE-4462883144 [0,1,0,0,0,1|2,0,0]=4 4369 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C MCULE-9377847168 [0,1,0,0,0,1|2,0,0]=4 4370 B9R1.69 C[C@H]1CC(=O)CC[C@@H]1O MCULE-5873948412 [0,1,0,0,0,1|2,0,0]=4 4371 B9R1.69 C[C@H]1CN(C(=O)CN1)C MCULE-4896108356 [0,1,0,0,0,1|2,0,0]=4 4372 B9R1.69 C[C@H]1CN(C(=O)CN1)C MCULE-5475453456 [0,1,0,0,0,1|2,0,0]=4 4373 B9R1.69 C[C@H]1CN(C(=O)CN1)C MCULE-7299064277 [0,1,0,0,0,1|2,0,0]=4 4374 B9R1.69 C[C@H]1CN(C(=O)CN1)C MCULE-8058687833 [0,1,0,0,0,1|2,0,0]=4 4375 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C MCULE-1324686247 [0,1,0,0,0,1|2,0,0]=4 4376 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C MCULE-6430136160 [0,1,0,0,0,1|2,0,0]=4 4377 B9R1.69 NC1CCC(=O)NC1=O MCULE-4373046338 [0,1,0,0,0,1|2,0,0]=4 4378 B9R1.69 NC1CCC(=O)NC1=O MCULE-5761090335 [0,1,0,0,0,1|2,0,0]=4 4379 B9R1.69 NC1CCC(=O)NC1=O MCULE-6512527532 [0,1,0,0,0,1|2,0,0]=4 4380 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-2259559652 [0,1,0,0,0,1|2,0,0]=4 4381 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5099911990 [0,1,0,0,0,1|2,0,0]=4 4382 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5834100164 [0,1,0,0,0,1|2,0,0]=4 4383 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-9198243816 [0,1,0,0,0,1|2,0,0]=4 4384 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-2839925566 [0,1,0,0,0,1|2,0,0]=4 4385 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-4993857257 [0,1,0,0,0,1|2,0,0]=4 4386 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-5773933419 [0,1,0,0,0,1|2,0,0]=4 4387 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-7730306323 [0,1,0,0,0,1|2,0,0]=4 4388 B9R1.69 N[C@H]1C[C@H](CNC1=O)O MCULE-9955363059 [0,1,0,0,0,1|2,0,0]=4 4389 B9R1.69 O=C1CCC(C(=O)N1)Br MCULE-2957692520 [0,1,0,0,0,1|2,0,0]=4 4390 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [0,1,0,0,0,1|1,0,0]=3 4391 B9R1.69 [NH3+]C1CCC(=O)NC1=O MCULE-8832573768 [0,1,0,0,0,1|2,0,0]=4 4392 B9R1.2 C#CC1CCCC(=O)C1 MCULE-9347784864 [0,1,0,0,0,1|1,0,1]=4 4393 B9R1.2 C=CC1CCCC(=O)C1 MCULE-4962666890 [0,1,0,0,0,1|1,0,1]=4 4394 B9R1.2 CC1C=C(CCC1)C=O MCULE-8149754044 [0,1,0,0,0,1|1,0,0]=3 4395 B9R1.2 CC1CC(CCO1)C=O MCULE-4627853236 [0,1,0,0,0,1|1,0,1]=4 4396 B9R1.2 CC1CCCC(C1)C=O MCULE-8003239715 [0,1,0,0,0,1|1,0,1]=4 4397 B9R1.2 CC1CCCC(O1)CN MCULE-9065375307 [0,1,0,0,0,1|1,0,1]=4 4398 B9R1.2 CC1CNCC(O1)C#N MCULE-8375247309 [0,1,0,0,0,1|1,0,1]=4 4399 B9R1.2 CC1CNCC(O1)CO MCULE-6915504187 [0,1,0,0,0,1|0,0,2]=4 4400 B9R1.2 CCC1=CC(=O)CCC1 MCULE-3934640256 [0,1,0,0,0,1|1,0,1]=4 4401 B9R1.2 CCC1CC(=O)CCN1 MCULE-1220676585 [0,1,0,0,0,1|1,0,0]=3 4402 B9R1.2 CCC1CC(=O)CCN1 MCULE-3141090997 [0,1,0,0,0,1|1,0,0]=3 4403 B9R1.2 CCC1CC(=O)CCO1 MCULE-5885330152 [0,1,0,0,0,1|1,0,0]=3 4404 B9R1.2 CCC1CCCC(=O)C1 MCULE-2309757845 [0,1,0,0,0,1|1,0,0]=3 4405 B9R1.2 CCC1CCCC(=O)N1 MCULE-7034650517 [0,1,0,0,0,1|1,0,0]=3 4406 B9R1.2 CCC1CCNC(=O)C1 MCULE-7827721769 [0,1,0,0,0,1|1,0,0]=3 4407 B9R1.2 CCC1CNCC(=O)N1 MCULE-1768212982 [0,1,0,0,0,1|1,0,0]=3 4408 B9R1.2 CCC1CNCC(O1)C MCULE-6402129304 [0,1,0,0,0,1|1,0,1]=4 4409 B9R1.2 CCC1COCC(=O)N1 MCULE-1841359305 [0,1,0,0,0,1|1,0,0]=3 4410 B9R1.2 CCN1CCCC(=O)C1 MCULE-1438900169 [0,1,0,0,0,1|2,0,0]=4 4411 B9R1.2 CCN1CCCC(=O)C1 MCULE-2924579479 [0,1,0,0,0,1|2,0,0]=4 4412 B9R1.2 CCN1CCNC(=O)C1 MCULE-1191268798 [0,1,0,0,0,1|2,0,0]=4 4413 B9R1.2 CCN1CCNC(=O)C1 MCULE-5823830618 [0,1,0,0,0,1|2,0,0]=4 4414 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-6816021578 [0,1,0,0,0,1|1,0,0]=3 4415 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-7481609929 [0,1,0,0,0,1|1,0,0]=3 4416 B9R1.2 CC[C@@H]1CCCC(=O)C1 MCULE-3781767777 [0,1,0,0,0,1|1,0,0]=3 4417 B9R1.2 CC[C@@H]1COCC(=O)N1 MCULE-9098123465 [0,1,0,0,0,1|1,0,0]=3 4418 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-1797323490 [0,1,0,0,0,1|1,0,0]=3 4419 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-7692205564 [0,1,0,0,0,1|1,0,0]=3 4420 B9R1.2 CC[C@H]1CCCC(=O)C1 MCULE-5055612080 [0,1,0,0,0,1|1,0,0]=3 4421 B9R1.2 CC[C@H]1CNCC(=O)N1 MCULE-5604046217 [0,1,0,0,0,1|1,0,0]=3 4422 B9R1.2 CC[C@H]1CNC[C@H](O1)C MCULE-1726802726 [0,1,0,0,0,1|1,0,1]=4 4423 B9R1.2 COC1=CC(=O)CCC1 MCULE-7315684808 [0,1,0,0,0,1|1,0,1]=4 4424 B9R1.2 COC1CCCC(=O)C1 MCULE-4121364026 [0,1,0,0,0,1|1,0,0]=3 4425 B9R1.2 COC1CCCC(=O)N1 MCULE-3771491986 [0,1,0,0,0,1|1,0,0]=3 4426 B9R1.2 COC1CCSC(=S)N1 MCULE-9429009791 [0,1,0,0,0,1|1,1,0]=4 4427 B9R1.2 CSC1=NC(=O)CCN1 MCULE-9697046626 [0,1,0,0,0,1|1,0,1]=4 4428 B9R1.2 CSC1CCCC(=O)C1 MCULE-3076571291 [0,1,0,0,0,1|1,0,0]=3 4429 B9R1.2 C[C@@H]1CNC[C@H](O1)CO MCULE-4030187082 [0,1,0,0,0,1|0,0,2]=4 4430 B9R1.2 C[C@@H]1CNC[C@H](O1)CO MCULE-8521542499 [0,1,0,0,0,1|0,0,2]=4 4431 B9R1.2 C[C@H]1CNC[C@H](O1)CO MCULE-6331587635 [0,1,0,0,0,1|0,0,2]=4 4432 B9R1.2 C[C@H]1CNC[C@H](O1)CO MCULE-6791243811 [0,1,0,0,0,1|0,0,2]=4 4433 B9R1.2 N#CC1CCCC(=O)C1 MCULE-7187855455 [0,1,0,0,0,1|1,0,1]=4 4434 B9R1.2 N#CC1CCNC(=O)C1 MCULE-8868530643 [0,1,0,0,0,1|1,0,1]=4 4435 B9R1.2 NCC1CCCC(=O)N1 MCULE-2515108436 [0,1,0,0,0,1|1,0,0]=3 4436 B9R1.2 NCC1CCCC(=O)N1 MCULE-2893640240 [0,1,0,0,0,1|1,0,0]=3 4437 B9R1.2 NCC1CCCC(=O)N1 MCULE-4568961930 [0,1,0,0,0,1|1,0,0]=3 4438 B9R1.2 NCC1CCNC(=O)C1 MCULE-8340928139 [0,1,0,0,0,1|1,0,0]=3 4439 B9R1.2 NCC1CCNC(=O)C1 MCULE-9503049309 [0,1,0,0,0,1|1,0,0]=3 4440 B9R1.2 NCC1CCNC(=O)N1 MCULE-7299072097 [0,1,0,0,0,1|1,0,0]=3 4441 B9R1.2 NCC1CCNC(=O)O1 MCULE-4253031438 [0,1,0,0,0,1|0,0,0]=2 4442 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-6439919372 [0,1,0,0,0,1|1,0,0]=3 4443 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-8074777058 [0,1,0,0,0,1|1,0,0]=3 4444 B9R1.2 O=C1C=C(CCO1)CO MCULE-1101464960 [0,1,0,0,0,1|1,0,1]=4 4445 B9R1.2 O=C1CC(CCN1)CBr MCULE-5514747029 [0,1,0,0,0,1|1,0,0]=3 4446 B9R1.2 O=C1CC(CCN1)CO MCULE-9526076179 [0,1,0,0,0,1|1,0,0]=3 4447 B9R1.2 O=C1CCCC(C1)CF MCULE-4859859394 [0,1,0,0,0,1|1,0,0]=3 4448 B9R1.2 O=C1CCCC(C1)CO MCULE-5732276352 [0,1,0,0,0,1|1,0,0]=3 4449 B9R1.2 O=C1CCCC(N1)CO MCULE-6546170250 [0,1,0,0,0,1|1,0,0]=3 4450 B9R1.2 O=C1CCC[C@@H](N1)CO MCULE-6845836782 [0,1,0,0,0,1|1,0,0]=3 4451 B9R1.2 O=C1CCC[C@H](C1)CO MCULE-7659844168 [0,1,0,0,0,1|1,0,0]=3 4452 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-2745722091 [0,1,0,0,0,1|1,0,0]=3 4453 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-3358051383 [0,1,0,0,0,1|1,0,0]=3 4454 B9R1.2 O=C1CNC[C@H](N1)CO MCULE-7459264375 [0,1,0,0,0,1|1,0,0]=3 4455 B9R1.2 O=C1COCC(N1)CO MCULE-2108098178 [0,1,0,0,0,1|1,0,0]=3 4456 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-1640734818 [0,1,0,0,0,1|1,0,0]=3 4457 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-6633625871 [0,1,0,0,0,1|1,0,0]=3 4458 B9R1.2 O=C1C[C@H](CCN1)CO MCULE-5682710079 [0,1,0,0,0,1|1,0,0]=3 4459 B9R1.2 O=S1OCCC(O1)CCl MCULE-2917940908 [0,1,0,0,0,1|1,0,0]=3 4460 B9R1.2 [C@H]1(CNC[C@@H](O1)CO)C MCULE-4259776230 [0,1,0,0,0,1|0,0,2]=4 4461 B9R1.3 CC1=C(C(=O)CCC1)C MCULE-2092030294 [0,1,0,0,0,1|1,0,1]=4 4462 B9R1.3 CC1=C(C(=O)CCC1)I MCULE-1524025435 [0,1,0,0,0,1|1,0,1]=4 4463 B9R1.3 CC1=C(C(=O)CCO1)O MCULE-4821746307 [0,1,0,0,0,1|1,0,1]=4 4464 B9R1.3 CC1C(=O)NCCN1C MCULE-4438877653 [0,1,0,0,0,1|2,0,0]=4 4465 B9R1.3 CC1C(=O)NCCN1C MCULE-5252043587 [0,1,0,0,0,1|2,0,0]=4 4466 B9R1.3 CC1CCCC(=O)C1=O MCULE-3677088238 [0,1,0,0,0,1|1,0,0]=3 4467 B9R1.3 CC1CCCC(=O)C1C MCULE-1705022712 [0,1,0,0,0,1|1,0,0]=3 4468 B9R1.3 CC1CCNC(=O)C1N MCULE-8466322754 [0,1,0,0,0,1|1,0,0]=3 4469 B9R1.3 CC1CNCC(=O)N1C MCULE-6146515954 [0,1,0,0,0,1|1,0,0]=3 4470 B9R1.3 CC1CNCC(=O)N1C MCULE-6324850501 [0,1,0,0,0,1|1,0,0]=3 4471 B9R1.3 CC1NCCS(=O)C1C MCULE-1387894437 [0,1,0,0,0,1|2,0,0]=4 4472 B9R1.3 CC1NCCS(=O)C1C MCULE-5334357588 [0,1,0,0,0,1|2,0,0]=4 4473 B9R1.3 CN1CCNC(=O)C1=O MCULE-8196761481 [0,1,0,0,0,1|2,0,0]=4 4474 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-2631912609 [0,1,0,0,0,1|1,0,0]=3 4475 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-3626784899 [0,1,0,0,0,1|1,0,0]=3 4476 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-5129830315 [0,1,0,0,0,1|1,0,0]=3 4477 B9R1.3 C[C@@H]1CNCC(=O)N1C MCULE-9747041418 [0,1,0,0,0,1|1,0,0]=3 4478 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-1364393332 [0,1,0,0,0,1|1,0,0]=3 4479 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-4965977180 [0,1,0,0,0,1|1,0,0]=3 4480 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-5863604180 [0,1,0,0,0,1|1,0,0]=3 4481 B9R1.3 C[C@H]1CNCC(=O)N1C MCULE-8897457682 [0,1,0,0,0,1|1,0,0]=3 4482 B9R1.3 O=C1CCCC(C1=O)Br MCULE-4868069859 [0,1,0,0,0,1|2,0,0]=4 4483 B9R1.3 O=C1NCCC(C1Cl)O MCULE-3547246755 [0,1,0,0,0,1|2,0,0]=4 4484 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O MCULE-4122559640 [0,1,0,0,0,1|2,0,0]=4 4485 B9R1.34 CC1=CC(=O)CC(=O)O1 MCULE-2238720534 [0,1,0,0,0,1|0,0,2]=4 4486 B9R1.34 CC1=CC(=O)CC(C1)C MCULE-4391727742 [0,1,0,0,0,1|1,0,1]=4 4487 B9R1.34 CC1=CC(CC(=O)C1)C MCULE-3058901389 [0,1,0,0,0,1|1,0,1]=4 4488 B9R1.34 CC1=CC(CC(=O)O1)O MCULE-2892113646 [0,1,0,0,0,1|0,0,1]=3 4489 B9R1.34 CC1CC(=CC(=O)O1)O MCULE-3566980219 [0,1,0,0,0,1|0,0,1]=3 4490 B9R1.34 CC1CC(=O)C=C(C1)N MCULE-4451452781 [0,1,0,0,0,1|1,0,1]=4 4491 B9R1.34 CC1CC(=O)CC(=O)C1 MCULE-9077952779 [0,1,0,0,0,1|1,0,0]=3 4492 B9R1.34 CC1CC(=O)CC(=O)N1 MCULE-4178844211 [0,1,0,0,0,1|1,0,0]=3 4493 B9R1.34 CC1CC(=O)CC(=O)O1 MCULE-8800349509 [0,1,0,0,0,1|0,0,0]=2 4494 B9R1.34 CC1CC(=O)CC(C1)C MCULE-7560602452 [0,1,0,0,0,1|1,0,0]=3 4495 B9R1.34 CC1CC(=O)CC(N1)C MCULE-6804146726 [0,1,0,0,0,1|1,0,0]=3 4496 B9R1.34 CC1CC(=O)CC(N1)C MCULE-6840092000 [0,1,0,0,0,1|1,0,0]=3 4497 B9R1.34 CC1CC(=O)CC(O1)C MCULE-3466195629 [0,1,0,0,0,1|1,0,0]=3 4498 B9R1.34 CC1CC(=O)NC(=O)N1 MCULE-2066103800 [0,1,0,0,0,1|1,0,1]=4 4499 B9R1.34 CC1CC(=O)OC(=O)C1 MCULE-7493778576 [0,1,0,0,0,1|1,0,1]=4 4500 B9R1.34 CC1CC(CC(O1)C)N MCULE-1411888636 [0,1,0,0,0,1|1,0,1]=4 4501 B9R1.34 CC1CC(CC(O1)C)O MCULE-6800301090 [0,1,0,0,0,1|1,0,1]=4 4502 B9R1.34 CN1CC(=O)OC(=O)C1 MCULE-5682675378 [0,1,0,0,0,1|1,0,1]=4 4503 B9R1.34 C[C@@H]1CC(=O)C[C@H](N1)C MCULE-8209155173 [0,1,0,0,0,1|1,0,0]=3 4504 B9R1.34 C[C@@H]1CC(=O)C[C@H](N1)C MCULE-9446746465 [0,1,0,0,0,1|1,0,0]=3 4505 B9R1.34 C[C@@H]1CC(=O)C[C@H](O1)C MCULE-7023432709 [0,1,0,0,0,1|1,0,0]=3 4506 B9R1.34 C[C@@H]1CC(C[C@H](O1)C)N MCULE-9882917405 [0,1,0,0,0,1|1,0,1]=4 4507 B9R1.34 C[C@H]1CC(=O)CC(=O)N1 MCULE-6238430821 [0,1,0,0,0,1|1,0,0]=3 4508 B9R1.34 C[C@H]1CC(=O)C[C@@H](N1)C MCULE-2788235613 [0,1,0,0,0,1|1,0,0]=3 4509 B9R1.34 C[C@H]1CC(=O)C[C@@H](N1)C MCULE-5366721571 [0,1,0,0,0,1|1,0,0]=3 4510 B9R1.34 C[C@H]1CC(=O)C[C@H](N1)C MCULE-5181389040 [0,1,0,0,0,1|1,0,0]=3 4511 B9R1.34 C[C@H]1CC(=O)C[C@H](N1)C MCULE-6787698072 [0,1,0,0,0,1|1,0,0]=3 4512 B9R1.34 C[C@H]1CC(=O)C[C@H](O1)C MCULE-6710108830 [0,1,0,0,0,1|1,0,0]=3 4513 B9R1.34 C[C@H]1CC(C[C@@H](O1)C)N MCULE-8190565336 [0,1,0,0,0,1|1,0,1]=4 4514 B9R1.34 C[C@H]1C[C@@H](C[C@H](O1)C)N MCULE-6193156642 [0,1,0,0,0,1|1,0,1]=4 4515 B9R1.34 C[C@H]1C[C@H](C[C@H](O1)C)N MCULE-8355560111 [0,1,0,0,0,1|1,0,1]=4 4516 B9R1.34 C[C@H]1C[C@H](C[C@H](O1)C)O MCULE-3661941188 [0,1,0,0,0,1|1,0,1]=4 4517 B9R1.34 O=C1CC(=O)OC(=O)C1 MCULE-9015105238 [0,1,0,0,0,1|1,0,1]=4 4518 B9R1.66 CC1(CC(=O)CCN1)C MCULE-7066435466 [0,1,0,0,0,1|1,0,0]=3 4519 B9R1.66 CC1(CC(=O)CCN1)C MCULE-7610772996 [0,1,0,0,0,1|1,0,0]=3 4520 B9R1.66 CC1(CC(=O)CCO1)C MCULE-8996731620 [0,1,0,0,0,1|1,0,0]=3 4521 B9R1.66 CC1(CC=CC(=O)C1)C MCULE-3774162320 [0,1,0,0,0,1|1,0,1]=4 4522 B9R1.66 CC1(CCCC(=O)C1)C MCULE-5947496314 [0,1,0,0,0,1|1,0,0]=3 4523 B9R1.66 CC1(CCCC(=O)N1)C MCULE-9506005736 [0,1,0,0,0,1|1,0,0]=3 4524 B9R1.66 CC1(CCNC(=O)C1)C MCULE-5703517542 [0,1,0,0,0,1|1,0,0]=3 4525 B9R1.66 CC1(CCOC(=O)C1)C MCULE-4727187858 [0,1,0,0,0,1|1,0,0]=3 4526 B9R1.66 CC1(CCOC(=O)C1)O MCULE-5265065779 [0,1,0,0,0,1|1,0,0]=3 4527 B9R1.66 CC1(CCOS(=O)O1)C MCULE-7552644708 [0,1,0,0,0,1|1,0,0]=3 4528 B9R1.66 CC1(CNCC(=O)N1)C MCULE-1640277430 [0,1,0,0,0,1|1,0,0]=3 4529 B9R1.66 CC1(CNCC(=O)N1)C MCULE-6894196220 [0,1,0,0,0,1|1,0,0]=3 4530 B9R1.66 CC1(COCC(=O)C1)C MCULE-9899246450 [0,1,0,0,0,1|1,0,0]=3 4531 B9R1.66 CC1(COCC(=O)N1)C MCULE-4764218630 [0,1,0,0,0,1|1,0,0]=3 4532 B9R1.66 CC1(CS(=O)CCN1)C MCULE-8669500373 [0,1,0,0,0,1|2,0,0]=4 4533 B9R1.66 CC1(CSCC(=O)C1)C MCULE-2479165636 [0,1,0,0,0,1|1,0,0]=3 4534 B9R1.66 CC1CCOS(=O)(=O)O1 MCULE-9717144678 [0,1,0,0,0,1|1,0,0]=3 4535 B9R1.66 CC1CNCC(O1)(C)C MCULE-6563845081 [0,1,0,0,0,1|1,0,1]=4 4536 B9R1.66 CC1CS(=O)(=O)CCN1 MCULE-2800774610 [0,1,0,0,0,1|2,0,0]=4 4537 B9R1.66 CC1CS(=O)(=O)CCN1 MCULE-5665116086 [0,1,0,0,0,1|2,0,0]=4 4538 B9R1.66 C[C@]1(CCOC(=O)C1)O MCULE-9416165586 [0,1,0,0,0,1|1,0,0]=3 4539 B9R1.66 O=C1CC(CCN1)(F)F MCULE-3058421094 [0,1,0,0,0,1|2,0,0]=4 4540 B9R1.66 O=C1CC(CCN1)(F)F MCULE-7491921693 [0,1,0,0,0,1|2,0,0]=4 4541 B9R1.66 O=C1CCCC(C1)(F)F MCULE-2940546181 [0,1,0,0,0,1|2,0,0]=4 4542 B9R1.66 O=C1CNCC(C1)(F)F MCULE-6601373156 [0,1,0,0,0,1|2,0,0]=4 4543 B9R1.66 O=C1CNCC(C1)(F)F MCULE-6650400321 [0,1,0,0,0,1|2,0,0]=4 4544 B9R1.7 C=CCC1CCC(=O)C1 MCULE-2799866455 [0,2,0,0,0,0|1,0,0]=3 4545 B9R1.7 CC1CCC(O1)CCN MCULE-6897276194 [0,2,0,0,0,0|1,0,1]=4 4546 B9R1.7 CC1CCC(O1)CCO MCULE-3947673644 [0,2,0,0,0,0|0,0,2]=4 4547 B9R1.7 CCCC1CCC(=O)C1 MCULE-9793680877 [0,2,0,0,0,0|1,0,0]=3 4548 B9R1.7 CCCC1CCC(=O)O1 MCULE-7682573247 [0,2,0,0,0,0|0,0,0]=2 4549 B9R1.7 CCCC1CNC(=O)C1 MCULE-4931707298 [0,2,0,0,0,0|2,0,0]=4 4550 B9R1.7 CCCC1COC(=O)C1 MCULE-1327483782 [0,2,0,0,0,0|2,0,0]=4 4551 B9R1.7 CCCC1COC(=O)C1 MCULE-2912518782 [0,2,0,0,0,0|2,0,0]=4 4552 B9R1.7 CCCC1COC(=O)O1 MCULE-7663556618 [0,2,0,0,0,0|1,0,0]=3 4553 B9R1.7 CCC[C@@H]1COC(=O)C1 MCULE-3295643630 [0,2,0,0,0,0|2,0,0]=4 4554 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4217358413 [0,2,0,0,0,0|2,0,0]=4 4555 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4815713221 [0,2,0,0,0,0|2,0,0]=4 4556 B9R1.7 CCOC1=CC(=O)CC1 MCULE-4336671577 [0,2,0,0,0,0|1,0,1]=4 4557 B9R1.7 CCOC1C=CC(=O)O1 MCULE-4372374333 [0,2,0,0,0,0|0,0,2]=4 4558 B9R1.7 CCOC1CCC(=O)N1 MCULE-6221129998 [0,2,0,0,0,0|1,0,0]=3 4559 B9R1.7 CNCC1CCC(=O)N1 MCULE-3081580104 [0,2,0,0,0,0|1,0,0]=3 4560 B9R1.7 CNC[C@@H]1CCC(=O)N1 MCULE-2568268658 [0,2,0,0,0,0|1,0,0]=3 4561 B9R1.7 CNC[C@@H]1CCC(=O)N1 MCULE-3483815914 [0,2,0,0,0,0|1,0,0]=3 4562 B9R1.7 COCC1CCC(=O)C1 MCULE-5327398944 [0,2,0,0,0,0|1,0,0]=3 4563 B9R1.7 COCC1COC(=O)O1 MCULE-4488263909 [0,2,0,0,0,0|1,0,0]=3 4564 B9R1.7 COC[C@@H]1COC(=O)O1 MCULE-4803003402 [0,2,0,0,0,0|1,0,0]=3 4565 B9R1.7 COC[C@@H]1COC(=O)O1 MCULE-7896550849 [0,2,0,0,0,0|1,0,0]=3 4566 B9R1.7 COC[C@H]1CNC(=O)O1 MCULE-1001119582 [0,2,0,0,0,0|1,0,0]=3 4567 B9R1.7 COC[C@H]1COC(=O)O1 MCULE-4532523996 [0,2,0,0,0,0|1,0,0]=3 4568 B9R1.7 COC[C@H]1COC(=O)O1 MCULE-4644835151 [0,2,0,0,0,0|1,0,0]=3 4569 B9R1.7 N#CCC1CCC(=O)N1 MCULE-1936081162 [0,2,0,0,0,0|1,0,0]=3 4570 B9R1.7 N#CC[C@@H]1CCC(=O)N1 MCULE-6728125451 [0,2,0,0,0,0|1,0,0]=3 4571 B9R1.7 N#CC[C@H]1CCC(=O)N1 MCULE-1463443311 [0,2,0,0,0,0|1,0,0]=3 4572 B9R1.7 N#CC[C@H]1CCC(=O)N1 MCULE-3830054780 [0,2,0,0,0,0|1,0,0]=3 4573 B9R1.7 NCCC1CCC(=O)N1 MCULE-5980289637 [0,2,0,0,0,0|1,0,0]=3 4574 B9R1.7 NCCC1CNC(=O)C1 MCULE-8054842830 [0,2,0,0,0,0|2,0,0]=4 4575 B9R1.7 NCCC1CNC(=O)C1 MCULE-8879419553 [0,2,0,0,0,0|2,0,0]=4 4576 B9R1.7 NCC[C@@H]1CCC(=O)N1 MCULE-8053535061 [0,2,0,0,0,0|1,0,0]=3 4577 B9R1.7 O=C1CC(CN1)CCO MCULE-6468116083 [0,2,0,0,0,0|2,0,0]=4 4578 B9R1.7 O=C1CC=C(O1)CCO MCULE-5445350928 [0,2,0,0,0,0|0,0,2]=4 4579 B9R1.7 O=C1CCC(N1)CCO MCULE-8691061986 [0,2,0,0,0,0|1,0,0]=3 4580 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-7396523836 [0,2,0,0,0,0|1,0,0]=3 4581 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-8307506069 [0,2,0,0,0,0|1,0,0]=3 4582 B9R1.7 O=S1OCC(O1)CCCl MCULE-1770094886 [0,2,0,0,0,0|2,0,0]=4 4583 B9R1.21 COC1CCC(O1)OC MCULE-3806876739 [0,2,0,0,0,0|0,0,2]=4 4584 B9R1.21 NCC1CCC(O1)CN MCULE-4000228398 [0,2,0,0,0,0|1,0,1]=4 4585 B9R1.21 NC[C@@H]1CC[C@@H](O1)CN MCULE-4187719094 [0,2,0,0,0,0|1,0,1]=4 4586 B9R1.21 OCC1CCC(O1)CO MCULE-3334782559 [0,2,0,0,0,0|0,0,2]=4 4587 B9R1.21 OC[C@@H]1CC[C@@H](O1)CO MCULE-5217154467 [0,2,0,0,0,0|0,0,2]=4 4588 B9R1.22 C=CN1CC(OC1=O)C MCULE-3752290427 [0,2,0,0,0,0|1,0,0]=3 4589 B9R1.22 CC1CC(=C(C1)C=O)Cl MCULE-5409611500 [0,2,0,0,0,0|1,0,1]=4 4590 B9R1.22 CC1CC(=O)NC1CO MCULE-1890923185 [0,2,0,0,0,0|1,0,0]=3 4591 B9R1.22 CC1CC(C(O1)C)CN MCULE-8332746873 [0,2,0,0,0,0|1,0,1]=4 4592 B9R1.22 C[C@@H]1CC(=O)N[C@@H]1CO MCULE-7022189173 [0,2,0,0,0,0|1,0,0]=3 4593 B9R1.22 C[C@@H]1CC(=O)N[C@H]1CO MCULE-2239273281 [0,2,0,0,0,0|1,0,0]=3 4594 B9R1.22 C[C@H]1CC(=O)N[C@@H]1CO MCULE-6299915210 [0,2,0,0,0,0|1,0,0]=3 4595 B9R1.22 C[C@H]1CC(=O)N[C@H]1CO MCULE-9870605893 [0,2,0,0,0,0|1,0,0]=3 4596 B9R1.22 O=C1CC(C(O1)CO)O MCULE-1210550303 [0,2,0,0,0,0|0,0,0]=2 4597 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-2550191764 [0,2,0,0,0,0|0,0,0]=2 4598 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-3529189398 [0,2,0,0,0,0|0,0,0]=2 4599 B9R1.22 OCC1OC(CC1O)O MCULE-1321369472 [0,2,0,0,0,0|0,0,2]=4 4600 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-2396008864 [0,2,0,0,0,0|0,0,2]=4 4601 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-3186725991 [0,2,0,0,0,0|0,0,2]=4 4602 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-8127322430 [0,2,0,0,0,0|0,0,2]=4 4603 B9R1.22 OC[C@H]1OC(C[C@@H]1O)O MCULE-5678157789 [0,2,0,0,0,0|0,0,2]=4 4604 B9R1.22 [C@@H]1(CC(=O)O[C@@H]1CO)O MCULE-1905436889 [0,2,0,0,0,0|0,0,0]=2 4605 B9R1.23 CC1N=C(OC1=O)CN MCULE-6614231962 [0,2,0,0,0,0|1,0,1]=4 4606 B9R1.23 CN1CC(CC1=O)CBr MCULE-7453728228 [0,2,0,0,0,0|2,0,0]=4 4607 B9R1.23 CN1CC(CC1=O)CCl MCULE-8799305574 [0,2,0,0,0,0|2,0,0]=4 4608 B9R1.23 CN1CC(CC1=O)CI MCULE-6797145294 [0,2,0,0,0,0|2,0,0]=4 4609 B9R1.23 CN1CC(CC1=O)CN MCULE-4610214501 [0,2,0,0,0,0|2,0,0]=4 4610 B9R1.23 CN1CC(CC1=O)CN MCULE-5425833484 [0,2,0,0,0,0|2,0,0]=4 4611 B9R1.23 CN1CC(CC1=O)CN MCULE-7603285273 [0,2,0,0,0,0|2,0,0]=4 4612 B9R1.23 CN1CC(CC1=O)CO MCULE-9935755485 [0,2,0,0,0,0|2,0,0]=4 4613 B9R1.23 CN1CC(OC1=O)CBr MCULE-4776102856 [0,2,0,0,0,0|1,0,0]=3 4614 B9R1.23 CN1CC(OC1=O)CO MCULE-5538633197 [0,2,0,0,0,0|1,0,0]=3 4615 B9R1.23 CN1C[C@@H](OC1=O)CBr MCULE-3550491195 [0,2,0,0,0,0|1,0,0]=3 4616 B9R1.23 CN1C[C@@H](OC1=O)CO MCULE-4135827262 [0,2,0,0,0,0|1,0,0]=3 4617 B9R1.23 CN1C[C@@H](OC1=O)CO MCULE-4222195719 [0,2,0,0,0,0|1,0,0]=3 4618 B9R1.23 CN1C[C@H](CC1=O)CN MCULE-2488884693 [0,2,0,0,0,0|2,0,0]=4 4619 B9R1.23 CN1C[C@H](CC1=O)CN MCULE-3111089731 [0,2,0,0,0,0|2,0,0]=4 4620 B9R1.23 CN1C[C@H](CC1=O)CO MCULE-7091140885 [0,2,0,0,0,0|2,0,0]=4 4621 B9R1.23 CN1C[C@H](OC1=O)CN MCULE-1843344905 [0,2,0,0,0,0|1,0,0]=3 4622 B9R1.23 CN1C[C@H](OC1=O)CN MCULE-7113883697 [0,2,0,0,0,0|1,0,0]=3 4623 B9R1.23 CN1C[C@H](OC1=O)CO MCULE-5673899033 [0,2,0,0,0,0|1,0,0]=3 4624 B9R1.23 CN1C[C@H](OC1=O)CO MCULE-7788246551 [0,2,0,0,0,0|1,0,0]=3 4625 B9R1.23 CNC1CC(=O)N(C1)C MCULE-9621015704 [0,2,0,0,0,0|2,0,0]=4 4626 B9R1.23 OCC1CC(C(O1)O)O MCULE-1894937679 [0,2,0,0,0,0|0,0,2]=4 4627 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,2,0,0,0,0|1,0,1]=4 4628 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,2,0,0,0,0|0,0,1]=3 4629 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [0,2,0,0,0,0|0,0,0]=2 4630 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [0,2,0,0,0,0|2,0,0]=4 4631 B9R1.35 CC(=O)N1CCC(=O)C1 MCULE-3924044267 [0,2,0,0,0,0|2,0,0]=4 4632 B9R1.35 CC(C)C1CC(=O)CS1 MCULE-5750458738 [0,2,0,0,0,0|2,0,0]=4 4633 B9R1.35 CC(C)C1CCC(=O)C1 MCULE-7380487072 [0,2,0,0,0,0|1,0,0]=3 4634 B9R1.35 CC(C)C1CCC(=O)N1 MCULE-4396910868 [0,2,0,0,0,0|1,0,0]=3 4635 B9R1.35 CC(C)C1CNC(=O)C1 MCULE-5597835363 [0,2,0,0,0,0|2,0,0]=4 4636 B9R1.35 CC(C)C1CNC(=O)O1 MCULE-1501293157 [0,2,0,0,0,0|1,0,0]=3 4637 B9R1.35 CC(C)C1COC(=O)N1 MCULE-1965076998 [0,2,0,0,0,0|2,0,0]=4 4638 B9R1.35 CC(C)C1COC(=O)N1 MCULE-2788936532 [0,2,0,0,0,0|2,0,0]=4 4639 B9R1.35 CC(C)N1CCC(=O)C1 MCULE-4733756121 [0,2,0,0,0,0|2,0,0]=4 4640 B9R1.35 CC(C)N1CCC(=O)C1 MCULE-5325562203 [0,2,0,0,0,0|2,0,0]=4 4641 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 MCULE-8463254156 [0,2,0,0,0,0|1,0,0]=3 4642 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 MCULE-9798698843 [0,2,0,0,0,0|1,0,0]=3 4643 B9R1.35 CC(C)[C@@H]1COC(=O)N1 MCULE-1277886960 [0,2,0,0,0,0|2,0,0]=4 4644 B9R1.35 CC(C)[C@@H]1COC(=O)N1 MCULE-1343977474 [0,2,0,0,0,0|2,0,0]=4 4645 B9R1.35 CC(C)[C@H]1CCC(=O)N1 MCULE-1275403270 [0,2,0,0,0,0|1,0,0]=3 4646 B9R1.35 CC(C)[C@H]1COC(=O)N1 MCULE-5403273241 [0,2,0,0,0,0|2,0,0]=4 4647 B9R1.35 CC(C)[C@H]1COC(=O)N1 MCULE-5661692505 [0,2,0,0,0,0|2,0,0]=4 4648 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,2,0,0,0,0|1,0,1]=4 4649 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,2,0,0,0,0|1,0,1]=4 4650 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,2,0,0,0,0|1,0,1]=4 4651 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,2,0,0,0,0|0,0,1]=3 4652 B9R1.35 CC1CCN(C1)C(=O)Cl MCULE-4918001156 [0,2,0,0,0,0|2,0,0]=4 4653 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,2,0,0,0,0|1,0,1]=4 4654 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,2,0,0,0,0|1,0,1]=4 4655 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,2,0,0,0,0|0,0,1]=3 4656 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,2,0,0,0,0|0,0,1]=3 4657 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,2,0,0,0,0|1,0,1]=4 4658 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,2,0,0,0,0|1,0,1]=4 4659 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,2,0,0,0,0|1,0,1]=4 4660 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,2,0,0,0,0|1,0,1]=4 4661 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,2,0,0,0,0|1,0,1]=4 4662 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,2,0,0,0,0|1,0,1]=4 4663 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,2,0,0,0,0|1,0,1]=4 4664 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,2,0,0,0,0|1,0,1]=4 4665 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,2,0,0,0,0|1,0,1]=4 4666 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,2,0,0,0,0|1,0,1]=4 4667 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [0,2,0,0,0,0|1,0,1]=4 4668 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [0,2,0,0,0,0|1,0,1]=4 4669 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [0,2,0,0,0,0|1,0,1]=4 4670 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [0,2,0,0,0,0|2,0,0]=4 4671 B9R1.35 O=C1CC(CN1)C(F)F MCULE-9688115822 [0,2,0,0,0,0|2,0,0]=4 4672 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,2,0,0,0,0|1,0,1]=4 4673 B9R1.35 O=C1CCC(C1)C(F)F MCULE-9141008537 [0,2,0,0,0,0|1,0,0]=3 4674 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [0,2,0,0,0,0|1,0,1]=4 4675 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,2,0,0,0,0|1,0,1]=4 4676 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,2,0,0,0,0|1,0,1]=4 4677 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [0,2,0,0,0,0|1,0,1]=4 4678 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,2,0,0,0,0|0,0,1]=3 4679 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,2,0,0,0,0|0,1,1]=4 4680 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,2,0,0,0,0|1,0,1]=4 4681 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,2,0,0,0,0|1,0,1]=4 4682 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,2,0,0,0,0|1,0,1]=4 4683 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,2,0,0,0,0|1,0,1]=4 4684 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl MCULE-2420158992 [0,2,0,0,0,0|0,0,1]=3 4685 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,2,0,0,0,0|0,0,1]=3 4686 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,2,0,0,0,0|0,0,1]=3 4687 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,2,0,0,0,0|1,0,1]=4 4688 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,2,0,0,0,0|1,0,1]=4 4689 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,2,0,0,0,0|1,0,1]=4 4690 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,2,0,0,0,0|1,0,1]=4 4691 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,2,0,0,0,0|1,0,1]=4 4692 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [0,2,0,0,0,0|1,0,1]=4 4693 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [0,2,0,0,0,0|1,0,1]=4 4694 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl MCULE-2111028314 [0,2,0,0,0,0|0,0,1]=3 4695 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,2,0,0,0,0|0,0,1]=3 4696 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,2,0,0,0,0|0,0,1]=3 4697 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,2,0,0,0,0|0,1,1]=4 4698 B9R1.35 O=C1NC(CO1)C(F)F MCULE-9276805254 [0,2,0,0,0,0|2,0,0]=4 4699 B9R1.35 O=C1NC(CO1)C(F)F MCULE-9991194163 [0,2,0,0,0,0|2,0,0]=4 4700 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [0,2,0,0,0,0|1,0,1]=4 4701 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [0,2,0,0,0,0|1,0,1]=4 4702 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [0,2,0,0,0,0|1,0,1]=4 4703 B9R1.35 O=C1N[C@@H](CO1)C(F)F MCULE-6542638611 [0,2,0,0,0,0|2,0,0]=4 4704 B9R1.35 O=C1N[C@@H](CO1)C(F)F MCULE-9822122989 [0,2,0,0,0,0|2,0,0]=4 4705 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [0,2,0,0,0,0|1,0,1]=4 4706 B9R1.125 C=CC1(CCC(=O)O1)C MCULE-6337213328 [0,2,0,0,0,0|0,0,0]=2 4707 B9R1.125 CC1(CCC(=O)N1)C#N MCULE-1747516411 [0,2,0,0,0,0|1,0,0]=3 4708 B9R1.125 CC1(CCC(=O)N1)CN MCULE-5027285094 [0,2,0,0,0,0|1,0,0]=3 4709 B9R1.125 CC1(CCC(=O)N1)CN MCULE-6327832088 [0,2,0,0,0,0|1,0,0]=3 4710 B9R1.125 CC1(CCC(=O)N1)CO MCULE-9700105207 [0,2,0,0,0,0|1,0,0]=3 4711 B9R1.125 CC1(CNC(=O)C1)CO MCULE-1633429143 [0,2,0,0,0,0|2,0,0]=4 4712 B9R1.125 CC1(COC(=O)C1)CO MCULE-2278000717 [0,2,0,0,0,0|2,0,0]=4 4713 B9R1.125 CC1(COC(=O)N1)CI MCULE-2242952890 [0,2,0,0,0,0|2,0,0]=4 4714 B9R1.125 CC1(COC(=O)N1)CN MCULE-6928291098 [0,2,0,0,0,0|2,0,0]=4 4715 B9R1.125 CC1(COC(=O)N1)CO MCULE-7873521103 [0,2,0,0,0,0|2,0,0]=4 4716 B9R1.125 CCC1(CCC(=O)O1)C MCULE-1533992852 [0,2,0,0,0,0|0,0,0]=2 4717 B9R1.125 CCC1(CNC(=O)C1)C MCULE-9614797023 [0,2,0,0,0,0|2,0,0]=4 4718 B9R1.125 CCP1(=S)CCC(O1)C MCULE-9914334269 [0,2,0,0,0,0|1,1,0]=4 4719 B9R1.132 CCC1=C(C(=O)CC1)O MCULE-3983794608 [0,2,0,0,0,0|1,0,1]=4 4720 B9R1.132 CCN1CCC(=O)C1=O MCULE-7001636786 [0,2,0,0,0,0|2,0,0]=4 4721 B9R1.132 CN1C(=O)CCC1C#N MCULE-7353146419 [0,2,0,0,0,0|1,0,1]=4 4722 B9R1.132 CN1C(=O)CCC1CBr MCULE-9411477362 [0,2,0,0,0,0|1,0,0]=3 4723 B9R1.132 CN1C(=O)CCC1CN MCULE-5871779409 [0,2,0,0,0,0|1,0,0]=3 4724 B9R1.132 CN1C(=O)CCC1CN MCULE-8080412333 [0,2,0,0,0,0|1,0,0]=3 4725 B9R1.132 CN1C(=O)CCC1CO MCULE-1191755112 [0,2,0,0,0,0|1,0,0]=3 4726 B9R1.132 CN1C(=O)CC[C@@H]1CN MCULE-8818444582 [0,2,0,0,0,0|1,0,0]=3 4727 B9R1.132 CN1C(=O)CC[C@@H]1CN MCULE-9421193159 [0,2,0,0,0,0|1,0,0]=3 4728 B9R1.132 CN1C(=O)CC[C@@H]1CO MCULE-3774785586 [0,2,0,0,0,0|1,0,0]=3 4729 B9R1.132 CN1C(=O)CC[C@@H]1CO MCULE-6918454394 [0,2,0,0,0,0|1,0,0]=3 4730 B9R1.132 CN1C(=O)CC[C@H]1CN MCULE-2222415070 [0,2,0,0,0,0|1,0,0]=3 4731 B9R1.132 CN1C(=O)CC[C@H]1CN MCULE-5580238692 [0,2,0,0,0,0|1,0,0]=3 4732 B9R1.132 CN1C(=O)CC[C@H]1CO MCULE-2827633861 [0,2,0,0,0,0|1,0,0]=3 4733 B9R1.132 CN1C(=O)CC[C@H]1CO MCULE-6009129420 [0,2,0,0,0,0|1,0,0]=3 4734 B9R1.132 CN1C(=O)OCC1CN MCULE-6042520549 [0,2,0,0,0,0|2,0,0]=4 4735 B9R1.132 CN1C(=O)OCC1CO MCULE-8007610205 [0,2,0,0,0,0|2,0,0]=4 4736 B9R1.132 COC1=C(C(=O)CC1)Br MCULE-3706141828 [0,2,0,0,0,0|1,0,1]=4 4737 B9R1.133 CC1(CCC(O1)CBr)C MCULE-7975653586 [0,2,0,0,0,0|1,0,1]=4 4738 B9R1.133 CC1(CCC(O1)CN)C MCULE-7867684034 [0,2,0,0,0,0|1,0,1]=4 4739 B9R1.133 CC1(CCC(O1)CN)C MCULE-9199821671 [0,2,0,0,0,0|1,0,1]=4 4740 B9R1.133 CC1(CCC(O1)CO)C MCULE-1774872507 [0,2,0,0,0,0|0,0,2]=4 4741 B9R1.133 CC1(CC[C@@H](O1)CN)C MCULE-1087286567 [0,2,0,0,0,0|1,0,1]=4 4742 B9R1.133 CC1(CC[C@@H](O1)CO)C MCULE-5585962757 [0,2,0,0,0,0|0,0,2]=4 4743 B9R1.133 CC1(CC[C@H](O1)CO)C MCULE-2305370714 [0,2,0,0,0,0|0,0,2]=4 4744 B9R1.133 CC1(CC[C@H](O1)CO)C MCULE-8266167352 [0,2,0,0,0,0|0,0,2]=4 4745 B9R1.133 CC1(OCC(O1)C=O)C MCULE-2415914691 [0,2,0,0,0,0|1,0,1]=4 4746 B9R1.133 CC1(OC[C@@H](O1)C=O)C MCULE-1837843473 [0,2,0,0,0,0|1,0,1]=4 4747 B9R1.133 CC1(OC[C@@H](O1)C=O)C MCULE-9001101986 [0,2,0,0,0,0|1,0,1]=4 4748 B9R1.133 CC1(OC[C@H](O1)C=O)C MCULE-2355273726 [0,2,0,0,0,0|1,0,1]=4 4749 B9R1.133 CC1(OC[C@H](O1)C=O)C MCULE-3931300162 [0,2,0,0,0,0|1,0,1]=4 4750 B9R1.133 CNC1CCS(=N)(=O)C1 MCULE-2658721094 [0,2,0,0,0,0|2,0,0]=4 4751 B9R1.133 CNC1CCS(=N)(=O)C1 MCULE-4234317933 [0,2,0,0,0,0|2,0,0]=4 4752 B9R1.133 CNC1CCS(=O)(=O)C1 MCULE-5985986692 [0,2,0,0,0,0|2,0,0]=4 4753 B9R1.133 CNC1CCS(=O)(=O)C1 MCULE-9632095935 [0,2,0,0,0,0|2,0,0]=4 4754 B9R1.133 COC1CCS(=O)(=O)C1 MCULE-9913500939 [0,2,0,0,0,0|2,0,0]=4 4755 B9R1.133 NCC1CCS(=O)(=O)C1 MCULE-1137567443 [0,2,0,0,0,0|2,0,0]=4 4756 B9R1.133 NCC1CCS(=O)(=O)C1 MCULE-7791459832 [0,2,0,0,0,0|2,0,0]=4 4757 B9R1.133 NCC1CCS(=O)(=O)N1 MCULE-8172234241 [0,2,0,0,0,0|2,0,0]=4 4758 B9R1.133 NCC1CCS(=O)(=O)N1 MCULE-9206518509 [0,2,0,0,0,0|2,0,0]=4 4759 B9R1.133 O=S1(=O)CCC(C1)CBr MCULE-3815205256 [0,2,0,0,0,0|2,0,0]=4 4760 B9R1.133 O=S1(=O)CCC(C1)CCl MCULE-5410601039 [0,2,0,0,0,0|2,0,0]=4 4761 B9R1.133 O=S1(=O)CCC(C1)CO MCULE-8257356519 [0,2,0,0,0,0|2,0,0]=4 4762 B9R1.133 O=S1(=O)CCC(N1)CO MCULE-6691523553 [0,2,0,0,0,0|2,0,0]=4 4763 B9R1.36 C=C1CC(NC1=O)(C)C MCULE-5057564454 [0,2,0,0,0,0|1,0,1]=4 4764 B9R1.36 CC1(CC(C(=O)N1)O)C MCULE-6193972218 [0,2,0,0,0,0|1,0,0]=3 4765 B9R1.36 CC1(CC(C(=O)O1)N)C MCULE-7823096614 [0,2,0,0,0,0|0,0,0]=2 4766 B9R1.36 CC1(CC(C(=O)O1)N)C MCULE-8973330971 [0,2,0,0,0,0|0,0,0]=2 4767 B9R1.36 CC1CC(CC1=O)(C)C MCULE-2251251242 [0,2,0,0,0,0|1,0,0]=3 4768 B9R1.36 CC1CC(NC1=O)(C)C MCULE-3640588755 [0,2,0,0,0,0|1,0,0]=3 4769 B9R1.36 CC1CS(=O)(=O)CC1N MCULE-2775896600 [0,2,0,0,0,0|2,0,0]=4 4770 B9R1.36 CC1CS(=O)(=O)CC1N MCULE-5682066288 [0,2,0,0,0,0|2,0,0]=4 4771 B9R1.36 CC1OC(OC1=O)(C)C MCULE-1281784579 [0,2,0,0,0,0|1,0,0]=3 4772 B9R1.36 CC1SC(OC1=O)(C)C MCULE-1070141041 [0,2,0,0,0,0|1,0,0]=3 4773 B9R1.37 CC1=C(C(=O)CC1C)O MCULE-3677110376 [0,2,0,0,0,0|1,0,1]=4 4774 B9R1.37 CC1=C(C(=O)OC1C)O MCULE-8685541679 [0,2,0,0,0,0|0,0,2]=4 4775 B9R1.37 CC1=C(C(OC1=O)C)C MCULE-1587463592 [0,2,0,0,0,0|0,0,2]=4 4776 B9R1.37 CC1=C(C(OC1=O)C)O MCULE-9804613276 [0,2,0,0,0,0|0,0,2]=4 4777 B9R1.37 CC1C(=O)CC(=O)N1C MCULE-5385796348 [0,2,0,0,0,0|1,0,1]=4 4778 B9R1.37 CC1C(=O)CC(=O)N1C MCULE-6531132040 [0,2,0,0,0,0|1,0,1]=4 4779 B9R1.37 CC1C(=O)OC(=O)C1C MCULE-1136120780 [0,2,0,0,0,0|1,0,1]=4 4780 B9R1.37 CC1C(CC(=O)N1C)O MCULE-1269195673 [0,2,0,0,0,0|1,0,0]=3 4781 B9R1.37 CC1CC(=O)C(=O)C1C MCULE-1553900326 [0,2,0,0,0,0|1,0,0]=3 4782 B9R1.37 CC1CC(C(=O)C1=O)C MCULE-8190172276 [0,2,0,0,0,0|1,0,0]=3 4783 B9R1.37 CC1CN(C(=O)C1N)O MCULE-1541937372 [0,2,0,0,0,0|2,0,0]=4 4784 B9R1.37 CC1CN(C(=O)C1N)O MCULE-3876251131 [0,2,0,0,0,0|2,0,0]=4 4785 B9R1.37 CC1CN(C(=O)N1C)C MCULE-3316581073 [0,2,0,0,0,0|2,0,0]=4 4786 B9R1.37 CC1OC(=O)C(=C1O)O MCULE-5304828877 [0,2,0,0,0,0|0,0,2]=4 4787 B9R1.37 CC1OC(=O)C(C1O)O MCULE-1862325809 [0,2,0,0,0,0|0,0,0]=2 4788 B9R1.37 CC1OC(C(C1C)N)C MCULE-6300493082 [0,2,0,0,0,0|1,0,1]=4 4789 B9R1.37 CC1OC(C(C1C)N)C MCULE-8122167979 [0,2,0,0,0,0|1,0,1]=4 4790 B9R1.37 CC1OC(C(C1O)O)O MCULE-7774087123 [0,2,0,0,0,0|0,0,2]=4 4791 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-1789519376 [0,2,0,0,0,0|2,0,0]=4 4792 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-4750685085 [0,2,0,0,0,0|2,0,0]=4 4793 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-7635519729 [0,2,0,0,0,0|2,0,0]=4 4794 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-7984264167 [0,2,0,0,0,0|2,0,0]=4 4795 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-8015807838 [0,2,0,0,0,0|2,0,0]=4 4796 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-8810381823 [0,2,0,0,0,0|2,0,0]=4 4797 B9R1.37 C[C@@H]1N[C@H](N(C1=O)C)C MCULE-6188544563 [0,2,0,0,0,0|2,0,0]=4 4798 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1I)O MCULE-8523724511 [0,2,0,0,0,0|0,0,0]=2 4799 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O MCULE-3554272195 [0,2,0,0,0,0|0,0,0]=2 4800 B9R1.37 C[C@H]1CN(C(=O)[C@H]1N)O MCULE-6099115683 [0,2,0,0,0,0|2,0,0]=4 4801 B9R1.37 C[C@H]1CN(C(=O)[C@H]1N)O MCULE-6659955179 [0,2,0,0,0,0|2,0,0]=4 4802 B9R1.37 O=C1OC(=O)C(C1Br)Br MCULE-1918579313 [0,2,0,0,0,0|1,0,1]=4 4803 B9R1.38 C=C1OC(=O)OC1(C)C MCULE-6317618259 [0,2,0,0,0,0|1,0,1]=4 4804 B9R1.38 C=C1OC(=O)OC1(C)Cl MCULE-3465579815 [0,2,0,0,0,0|1,0,1]=4 4805 B9R1.38 CC1(CC(=O)CC1=O)C MCULE-3397643509 [0,2,0,0,0,0|1,0,1]=4 4806 B9R1.38 CC1(CC(=O)OC1=O)C MCULE-3767285740 [0,2,0,0,0,0|1,0,1]=4 4807 B9R1.38 CC1(NC(=O)CC1=O)C MCULE-8883060941 [0,2,0,0,0,0|1,0,1]=4 4808 B9R1.38 CC1(NC(=O)CC1N)C MCULE-9628793006 [0,2,0,0,0,0|1,0,0]=3 4809 B9R1.38 CC1(NC(=O)CC1O)C MCULE-8306254701 [0,2,0,0,0,0|1,0,0]=3 4810 B9R1.38 CC1(OC(=O)C=C1O)C MCULE-8125069507 [0,2,0,0,0,0|0,0,2]=4 4811 B9R1.38 CC1(OC(=O)CC1=O)C MCULE-9824471420 [0,2,0,0,0,0|0,0,1]=3 4812 B9R1.38 CC1(OC(=O)N=C1N)C MCULE-1911233295 [0,2,0,0,0,0|1,0,1]=4 4813 B9R1.38 CC1(OC(=O)NC1=O)C MCULE-2681916511 [0,2,0,0,0,0|1,0,1]=4 4814 B9R1.38 CC1CC(=O)C(C1)(C)C MCULE-1944517389 [0,2,0,0,0,0|1,0,0]=3 4815 B9R1.38 CC1CC(=O)C(O1)(C)C MCULE-9055876569 [0,2,0,0,0,0|2,0,0]=4 4816 B9R1.38 CC1CC(=O)NC1(C)C MCULE-4801665077 [0,2,0,0,0,0|1,0,0]=3 4817 B9R1.38 CC1CC(=O)OC1(C)C MCULE-6169528498 [0,2,0,0,0,0|0,0,0]=2 4818 B9R1.38 CC1CC(S(=O)(=O)C1)C MCULE-7873770118 [0,2,0,0,0,0|2,0,0]=4 4819 B9R1.38 CC1OC(=O)CC1(C)C MCULE-2629079906 [0,2,0,0,0,0|0,0,0]=2 4820 B9R1.38 O=C1CC(C(=O)O1)(F)F MCULE-1317624407 [0,2,0,0,0,0|1,0,1]=4 4821 B9R1.27 CC1CCC(=C1C=O)Cl MCULE-1417862423 [0,2,0,0,0,0|2,0,0]=4 4822 B9R1.27 CC1OCC(=O)C1C#N MCULE-9359046236 [0,2,0,0,0,0|2,0,0]=4 4823 B9R1.27 CCC1C(=O)NCC1C MCULE-6984020668 [0,2,0,0,0,0|2,0,0]=4 4824 B9R1.106 CC1(C(=O)CCC1O)C MCULE-3636393805 [0,2,0,0,0,0|2,0,0]=4 4825 B9R1.106 CN1CCC(=O)C1(C)C MCULE-4067305018 [0,2,0,0,0,0|2,0,0]=4 4826 B9R1.138 CC1(CCC(=O)C1=O)C MCULE-2832918423 [0,2,0,0,0,0|1,0,0]=3 4827 B9R1.138 CC1(CNC(=O)C1=O)C MCULE-2391669444 [0,2,0,0,0,0|2,0,0]=4 4828 B9R1.138 CC1(CNC(=O)C1N)C MCULE-8991613475 [0,2,0,0,0,0|2,0,0]=4 4829 B9R1.138 CC1(CNC(=O)C1O)C MCULE-8013652452 [0,2,0,0,0,0|2,0,0]=4 4830 B9R1.138 CC1(COC(=O)C1=O)C MCULE-2752948754 [0,2,0,0,0,0|2,0,0]=4 4831 B9R1.138 CC1(COC(=O)C1N)C MCULE-1682618419 [0,2,0,0,0,0|2,0,0]=4 4832 B9R1.138 CC1(COC(=O)C1N)C MCULE-3128113500 [0,2,0,0,0,0|2,0,0]=4 4833 B9R1.138 CC1(COC(=O)C1O)C MCULE-1379755407 [0,2,0,0,0,0|2,0,0]=4 4834 B9R1.138 CC1(COC(=O)C1O)C MCULE-2206761895 [0,2,0,0,0,0|2,0,0]=4 4835 B9R1.138 CC1(COC(=O)[C@@H]1O)C MCULE-1523390021 [0,2,0,0,0,0|2,0,0]=4 4836 B9R1.138 CC1(COC(=O)[C@@H]1O)C MCULE-6977613194 [0,2,0,0,0,0|2,0,0]=4 4837 B9R1.138 CC1(COC(=O)[C@H]1O)C MCULE-3908533499 [0,2,0,0,0,0|2,0,0]=4 4838 B9R1.138 CC1(COC(=O)[C@H]1O)C MCULE-4242205405 [0,2,0,0,0,0|2,0,0]=4 4839 B9R1.138 CC1(CSC(=O)C1N)C MCULE-5995445974 [0,2,0,0,0,0|2,0,0]=4 4840 B9R1.138 CC1(CSC(=O)C1N)C MCULE-9718071604 [0,2,0,0,0,0|2,0,0]=4 4841 B9R1.138 CN1C(=O)OCC1(C)C MCULE-4308184185 [0,2,0,0,0,0|2,0,0]=4 4842 B9R1.146 CC1(CCC(O1)(C)C)C MCULE-3515159898 [0,2,0,0,0,0|1,0,1]=4 4843 B9R1.146 CC1(CCS(=O)(=O)C1)Br MCULE-9697135485 [0,2,0,0,0,0|2,0,0]=4 4844 B9R1.146 CC1(CCS(=O)(=O)C1)N MCULE-1622028320 [0,2,0,0,0,0|2,0,0]=4 4845 B9R1.146 CC1(CCS(=O)(=O)C1)N MCULE-3413973551 [0,2,0,0,0,0|2,0,0]=4 4846 B9R1.146 CC1(CCS(=O)(=O)C1)O MCULE-8229668499 [0,2,0,0,0,0|2,0,0]=4 4847 B9R1.146 C[C@@]1(CCS(=O)(=O)C1)N MCULE-2880224003 [0,2,0,0,0,0|2,0,0]=4 4848 B9R1.146 C[C@@]1(CCS(=O)(=O)C1)N MCULE-9371741380 [0,2,0,0,0,0|2,0,0]=4 4849 B9R1.146 C[C@]1(CCS(=O)(=O)C1)N MCULE-5474639854 [0,2,0,0,0,0|2,0,0]=4 4850 B9R1.146 C[C@]1(CCS(=O)(=O)C1)N MCULE-9653680627 [0,2,0,0,0,0|2,0,0]=4 4851 B7R1.3 BrC1=CCCCC1 MCULE-6137796305 [0,0,1,1,0,0|2,0,0]=4 4852 B7R1.3 BrC1CCCCO1 MCULE-3659439382 [0,0,1,1,0,0|1,0,1]=4 4853 B7R1.3 C=C1CCCCC1 MCULE-9812236661 [0,0,1,1,0,0|2,0,0]=4 4854 B7R1.3 C=C1CCCCN1 MCULE-8375354748 [0,0,1,1,0,0|2,0,0]=4 4855 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [0,0,1,1,0,0|2,0,0]=4 4856 B7R1.3 CC1C=CCCC1 MCULE-8057302830 [0,0,1,1,0,0|2,0,0]=4 4857 B7R1.3 CC1CC=CCC1 MCULE-6343106785 [0,0,1,1,0,0|2,0,0]=4 4858 B7R1.3 CC1CCCCO1 MCULE-4439683294 [0,0,1,1,0,0|1,0,1]=4 4859 B7R1.3 CC1CCOCO1 MCULE-5013590651 [0,0,1,1,0,0|0,0,2]=4 4860 B7R1.3 CN1CCCCO1 MCULE-4407617276 [0,0,1,1,0,0|2,0,0]=4 4861 B7R1.3 CN1CCCCO1 MCULE-6297284655 [0,0,1,1,0,0|2,0,0]=4 4862 B7R1.3 ClC1=CCCCC1 MCULE-6882712527 [0,0,1,1,0,0|2,0,0]=4 4863 B7R1.3 ClC1CCCCO1 MCULE-3251653488 [0,0,1,1,0,0|1,0,1]=4 4864 B7R1.3 FC1CCCCO1 MCULE-8724227177 [0,0,1,1,0,0|1,0,1]=4 4865 B7R1.3 N=C1NCCCO1 MCULE-4713912893 [0,0,1,1,0,0|2,0,0]=4 4866 B7R1.3 NC1=NCCCC1 MCULE-1020722938 [0,0,1,1,0,0|2,0,0]=4 4867 B7R1.3 NC1=NCCCC1 MCULE-9735306041 [0,0,1,1,0,0|2,0,0]=4 4868 B7R1.3 NC1=NCCCO1 MCULE-1909217779 [0,0,1,1,0,0|2,0,0]=4 4869 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [0,0,1,1,0,0|1,0,1]=4 4870 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [0,0,1,1,0,0|0,0,2]=4 4871 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [0,0,1,1,0,0|1,0,0]=3 4872 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [0,0,1,1,0,0|1,0,0]=3 4873 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [0,0,1,1,0,0|0,0,0]=2 4874 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [0,0,1,1,0,0|0,1,0]=3 4875 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [0,0,1,1,0,0|2,0,0]=4 4876 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [0,0,1,1,0,0|2,0,0]=4 4877 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [0,0,1,1,0,0|2,0,0]=4 4878 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [0,0,1,1,0,0|2,0,0]=4 4879 B7R1.3 O=C1CCNCC1 MCULE-7526186270 [0,0,1,1,0,0|2,0,0]=4 4880 B7R1.3 O=C1CCNCC1 MCULE-9761063200 [0,0,1,1,0,0|2,0,0]=4 4881 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [0,0,1,1,0,0|2,0,0]=4 4882 B7R1.3 O=C1CCOCC1 MCULE-6728095514 [0,0,1,1,0,0|2,0,0]=4 4883 B7R1.3 O=C1CCSCC1 MCULE-8638366518 [0,0,1,1,0,0|2,0,0]=4 4884 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [0,0,1,1,0,0|2,0,0]=4 4885 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [0,0,1,1,0,0|1,0,0]=3 4886 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [0,0,1,1,0,0|1,0,0]=3 4887 B7R1.3 O=C1COCCN1 MCULE-8242898041 [0,0,1,1,0,0|2,0,0]=4 4888 B7R1.3 O=C1COCCO1 MCULE-5754504096 [0,0,1,1,0,0|1,0,0]=3 4889 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [0,0,1,1,0,0|2,0,0]=4 4890 B7R1.3 O=C1NCCCN1 MCULE-4876148406 [0,0,1,1,0,0|2,0,0]=4 4891 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [0,0,1,1,0,0|1,0,0]=3 4892 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [0,0,1,1,0,0|2,0,0]=4 4893 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [0,0,1,1,0,0|1,0,0]=3 4894 B7R1.3 O=P1OCCCO1 MCULE-9154920312 [0,0,1,1,0,0|2,0,0]=4 4895 B7R1.3 O=S1CCCCC1 MCULE-1275253796 [0,0,1,1,0,0|2,0,0]=4 4896 B7R1.3 O=S1OCCCO1 MCULE-4755606100 [0,0,1,1,0,0|2,0,0]=4 4897 B7R1.3 OC1CCCCO1 MCULE-1415784498 [0,0,1,1,0,0|0,0,2]=4 4898 B7R1.3 S=C1CCCCC1 MCULE-6072375043 [0,0,1,1,0,0|1,1,0]=4 4899 B7R1.3 S=C1CCCCN1 MCULE-2004608075 [0,0,1,1,0,0|1,1,0]=4 4900 B7R1.3 S=C1NCCCO1 MCULE-2364674450 [0,0,1,1,0,0|1,1,0]=4 4901 B7R1.5 CC1CC1N=C=O MCULE-2439771505 [0,0,1,1,0,0|1,0,1]=4 4902 B7R1.6 ClCOC1CCC1 MCULE-3275885126 [0,0,1,1,0,0|1,0,1]=4 4903 B7R1.6 O=C=NC1CCC1 MCULE-9904450065 [0,0,1,1,0,0|1,0,1]=4 4904 B7R1.6 O=CCC1CCC1 MCULE-6234957728 [0,0,1,1,0,0|1,0,0]=3 4905 B7R1.6 O=CCC1COC1 MCULE-3070858256 [0,0,1,1,0,0|2,0,0]=4 4906 B7R1.9 COC1CC1C=O MCULE-8346964880 [0,0,1,1,0,0|2,0,0]=4 4907 B7R1.11 CC1C(C1C=O)Cl MCULE-4531897284 [0,0,1,1,0,0|2,0,0]=4 4908 B7R1.21 CCOC1(CC1)Br MCULE-7332246481 [0,0,1,1,0,0|1,0,1]=4 4909 B7R1.21 CCOC1(CC1)N MCULE-7603514903 [0,0,1,1,0,0|1,0,1]=4 4910 B7R1.21 CCOC1(CC1)O MCULE-9629273021 [0,0,1,1,0,0|0,0,2]=4 4911 B7R1.22 CCC(=O)C1CC1 MCULE-6231785303 [0,0,1,1,0,0|1,0,0]=3 4912 B7R1.22 CNC(=O)C1CC1 MCULE-5799863193 [0,0,1,1,0,0|2,0,0]=4 4913 B7R1.22 COC(=O)C1CC1 MCULE-3338113454 [0,0,1,1,0,0|2,0,0]=4 4914 B7R1.22 COC(=O)N1CC1 MCULE-2788788116 [0,0,1,1,0,0|2,0,0]=4 4915 B7R1.22 NCC(=O)C1CC1 MCULE-1927654168 [0,0,1,1,0,0|2,0,0]=4 4916 B7R1.22 NCC(=O)C1CC1 MCULE-4415662894 [0,0,1,1,0,0|2,0,0]=4 4917 B7R1.22 O=C(CBr)C1CC1 MCULE-1037373080 [0,0,1,1,0,0|2,0,0]=4 4918 B7R1.22 O=C(CCl)C1CC1 MCULE-9791345328 [0,0,1,1,0,0|2,0,0]=4 4919 B7R1.22 O=C(CCl)N1CC1 MCULE-3092013537 [0,0,1,1,0,0|2,0,0]=4 4920 B7R1.22 O=C(CO)C1CC1 MCULE-4276266642 [0,0,1,1,0,0|2,0,0]=4 4921 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [0,0,1,1,0,0|1,0,0]=3 4922 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [0,0,1,1,0,0|1,0,0]=3 4923 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [0,0,1,1,0,0|2,0,0]=4 4924 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [0,0,1,1,0,0|2,0,0]=4 4925 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,0,1,1,0,0|2,0,0]=4 4926 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,0,1,1,0,0|2,0,0]=4 4927 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,0,1,1,0,0|2,0,0]=4 4928 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,0,1,1,0,0|2,0,0]=4 4929 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,0,1,1,0,0|2,0,0]=4 4930 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,0,1,1,0,0|2,0,0]=4 4931 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,0,1,1,0,0|2,0,0]=4 4932 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,0,1,1,0,0|2,0,0]=4 4933 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,0,1,1,0,0|2,0,0]=4 4934 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,0,1,1,0,0|2,0,0]=4 4935 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,0,1,1,0,0|2,0,0]=4 4936 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [0,0,1,1,0,0|1,0,0]=3 4937 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [0,0,1,1,0,0|1,0,0]=3 4938 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [0,0,1,1,0,0|2,0,0]=4 4939 B7R1.20 NC(=O)NC1CC1 MCULE-4338833542 [0,0,1,1,0,0|2,0,0]=4 4940 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [0,0,1,1,0,0|2,0,0]=4 4941 B7R1.20 O=C(Cl)NC1CC1 MCULE-8107862020 [0,0,1,1,0,0|2,0,0]=4 4942 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [0,0,1,1,0,0|1,0,0]=3 4943 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [0,0,1,1,0,0|2,0,0]=4 4944 B7R1.7 C#CCCC1CO1 MCULE-8252140231 [0,0,1,1,0,0|1,0,1]=4 4945 B7R1.7 C=CCCC1CO1 MCULE-2331378134 [0,0,1,1,0,0|1,0,0]=3 4946 B7R1.7 C=CCC[C@H]1CO1 MCULE-4953904401 [0,0,1,1,0,0|1,0,0]=3 4947 B7R1.7 C=CCC[C@H]1CO1 MCULE-7730579466 [0,0,1,1,0,0|1,0,0]=3 4948 B7R1.7 CCCCC1CO1 MCULE-8403189539 [0,0,1,1,0,0|1,0,1]=4 4949 B7R1.7 COCCC1CO1 MCULE-9068008411 [0,0,1,1,0,0|2,0,0]=4 4950 B7R1.7 O=CCCC1CC1 MCULE-2890512932 [0,0,1,1,0,0|1,0,0]=3 4951 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,0,1,1,0,0|1,0,0]=3 4952 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [0,0,1,1,0,0|1,0,0]=3 4953 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [0,0,1,1,0,0|2,0,0]=4 4954 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [0,0,1,1,0,0|2,0,0]=4 4955 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [0,0,1,1,0,0|2,0,0]=4 4956 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [0,0,1,1,0,0|2,0,0]=4 4957 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [0,0,1,1,0,0|2,0,0]=4 4958 B7R1.18 CC(O)C1CCC1 MCULE-7846963519 [0,0,1,1,0,0|1,0,1]=4 4959 B7R1.18 CC(O)C1CNC1 MCULE-1265886795 [0,0,1,1,0,0|2,0,0]=4 4960 B7R1.18 CC(O)C1CNC1 MCULE-5108259269 [0,0,1,1,0,0|2,0,0]=4 4961 B7R1.18 CC(O)C1CNC1 MCULE-8265279011 [0,0,1,1,0,0|2,0,0]=4 4962 B7R1.18 CC(O)C1COC1 MCULE-4981198639 [0,0,1,1,0,0|2,0,0]=4 4963 B7R1.18 C[C@@H](O)C1CCC1 MCULE-6990873960 [0,0,1,1,0,0|1,0,1]=4 4964 B7R1.18 C[C@@H](O)C1COC1 MCULE-5223611242 [0,0,1,1,0,0|2,0,0]=4 4965 B7R1.18 C[C@@H](O)C1COC1 MCULE-5819578881 [0,0,1,1,0,0|2,0,0]=4 4966 B7R1.18 C[C@H](O)C1CCC1 MCULE-5072123772 [0,0,1,1,0,0|1,0,1]=4 4967 B7R1.18 C[C@H](O)C1CCC1 MCULE-6701623925 [0,0,1,1,0,0|1,0,1]=4 4968 B7R1.18 C[C@H](O)C1CNC1 MCULE-4694154501 [0,0,1,1,0,0|2,0,0]=4 4969 B7R1.18 C[C@H](O)C1CNC1 MCULE-5870270724 [0,0,1,1,0,0|2,0,0]=4 4970 B7R1.18 C[C@H](O)C1COC1 MCULE-1396791034 [0,0,1,1,0,0|2,0,0]=4 4971 B7R1.18 C[C@H](O)C1COC1 MCULE-8805369596 [0,0,1,1,0,0|2,0,0]=4 4972 B7R1.18 N=C(N)C1CCC1 MCULE-3470535674 [0,0,1,1,0,0|2,0,0]=4 4973 B7R1.18 N=C(N)C1CCC1 MCULE-4802517706 [0,0,1,1,0,0|2,0,0]=4 4974 B7R1.18 N=C(N)C1CCC1 MCULE-5858986439 [0,0,1,1,0,0|2,0,0]=4 4975 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [0,0,1,1,0,0|1,0,0]=3 4976 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,0,1,1,0,0|2,0,0]=4 4977 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,0,1,1,0,0|2,0,0]=4 4978 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [0,0,1,1,0,0|2,0,0]=4 4979 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [0,0,1,1,0,0|2,0,0]=4 4980 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [0,0,1,1,0,0|2,0,0]=4 4981 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [0,0,1,1,0,0|2,0,0]=4 4982 B7R1.18 NC(=O)N1CCC1 MCULE-1594728830 [0,0,1,1,0,0|2,0,0]=4 4983 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,0,1,1,0,0|2,0,0]=4 4984 B7R1.18 NC(=S)C1CCC1 MCULE-9753547991 [0,0,1,1,0,0|1,1,0]=4 4985 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [0,0,1,1,0,0|1,0,0]=3 4986 B7R1.18 O=C(Cl)N1CCC1 MCULE-8313088104 [0,0,1,1,0,0|2,0,0]=4 4987 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,0,1,1,0,0|0,0,2]=4 4988 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [0,0,1,1,0,0|0,0,0]=2 4989 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,0,1,1,0,0|1,0,0]=3 4990 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,0,1,1,0,0|1,0,0]=3 4991 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,0,1,1,0,0|1,0,0]=3 4992 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,0,1,1,0,0|1,0,0]=3 4993 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,0,1,1,0,0|1,0,0]=3 4994 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [0,0,1,1,0,0|1,0,0]=3 4995 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [0,0,1,1,0,0|1,0,0]=3 4996 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,0,1,1,0,0|1,0,0]=3 4997 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [0,0,1,1,0,0|1,0,0]=3 4998 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,0,1,1,0,0|1,0,0]=3 4999 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,0,1,1,0,0|1,0,0]=3 5000 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,0,1,1,0,0|1,0,0]=3 5001 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,0,1,1,0,0|1,0,0]=3 5002 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,0,1,1,0,0|1,0,0]=3 5003 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,0,1,1,0,0|1,0,0]=3 5004 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,0,1,1,0,0|1,0,0]=3 5005 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,0,1,1,0,0|1,0,0]=3 5006 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,0,1,1,0,0|1,0,0]=3 5007 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,0,1,1,0,0|1,0,0]=3 5008 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,0,1,1,0,0|1,0,0]=3 5009 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,0,1,1,0,0|1,0,0]=3 5010 B7R1.18 O=N(=O)C1CCC1 MCULE-1263563910 [0,0,1,1,0,0|1,0,1]=4 5011 B7R1.18 O=S([O-])C1CCC1 MCULE-2181260614 [0,0,1,1,0,0|1,0,1]=4 5012 B7R1.18 O=S([O-])C1CCC1 MCULE-5691798035 [0,0,1,1,0,0|1,0,1]=4 5013 B7R1.18 OB(O)C1CCC1 MCULE-3574521261 [0,0,1,1,0,0|1,0,1]=4 5014 B7R1.23 CC1(CC1C=O)Br MCULE-1505961517 [0,0,1,1,0,0|1,0,0]=3 5015 B7R1.23 CC1(CC1C=O)C MCULE-9386051771 [0,0,1,1,0,0|1,0,0]=3 5016 B7R1.23 O=CC1CC1(F)F MCULE-5377082936 [0,0,1,1,0,0|2,0,0]=4 5017 B7R2.11 C1CC2CC1N2 MCULE-6529016485 [1,0,0,1,0,0|1,0,1]=4 5018 B7R2.11 C1CC2CC1N2 MCULE-7997985442 [1,0,0,1,0,0|1,0,1]=4 5019 B7R2.11 C1NC2CC1C2 MCULE-3826765557 [1,0,0,1,0,0|1,0,1]=4 5020 B7R2.11 C1NC2CC1C2 MCULE-4168683722 [1,0,0,1,0,0|1,0,1]=4 5021 B7R2.13 C1=CC2OC2C1 MCULE-9601635666 [1,0,0,1,0,0|2,0,0]=4 5022 B7R2.13 C1CC2CC2C1 MCULE-4998824123 [1,0,0,1,0,0|1,0,1]=4 5023 B7R2.13 C1CC2CC2N1 MCULE-5625544754 [1,0,0,1,0,0|1,0,1]=4 5024 B7R2.13 C1CC2CC2N1 MCULE-6822939101 [1,0,0,1,0,0|1,0,1]=4 5025 B7R2.13 C1NCC2C1C2 MCULE-5688427614 [1,0,0,1,0,0|2,0,0]=4 5026 B7R2.13 C1NCC2C1C2 MCULE-7833686848 [1,0,0,1,0,0|2,0,0]=4 5027 B7R2.13 C1NC[C@H]2[C@@H]1C2 MCULE-2763696860 [1,0,0,1,0,0|2,0,0]=4 5028 B9R2.19 O=C1CCC2CC1C2 MCULE-7777720832 [0,0,0,1,0,1|1,0,0]=3 5029 B9R2.19 O=C1NCC2CC1C2 MCULE-1404448235 [0,0,0,1,0,1|1,0,0]=3 5030 B9R2.19 O=C1NCC2CC1N2 MCULE-4322893965 [0,0,0,1,0,1|2,0,0]=4 5031 B9R2.21 O=C1CC2CC2CN1 MCULE-8535104450 [0,0,0,1,0,1|1,0,0]=3 5032 B9R2.21 O=C1CCC2CC2N1 MCULE-1049659983 [0,0,0,1,0,1|1,0,0]=3 5033 B9R2.40 CC12CCC(=O)C1C2 MCULE-1791110578 [0,0,0,1,0,1|1,0,0]=3 5034 B9R2.49 C1CC2CCC1NO2 MCULE-4140193508 [0,0,0,1,0,1|1,0,1]=4 5035 B9R2.49 C1CC2CCC1NO2 MCULE-8213101233 [0,0,0,1,0,1|1,0,1]=4 5036 B9R2.49 C1CC2CNC1CO2 MCULE-3206976699 [0,0,0,1,0,1|1,0,1]=4 5037 B9R2.49 C1CC2CNC1CO2 MCULE-7670526515 [0,0,0,1,0,1|1,0,1]=4 5038 B9R2.49 C1CC2CNC1CO2 MCULE-8543856318 [0,0,0,1,0,1|1,0,1]=4 5039 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 MCULE-2948541450 [0,0,0,1,0,1|1,0,1]=4 5040 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 MCULE-7453970603 [0,0,0,1,0,1|1,0,1]=4 5041 B9R2.49 C1C[C@H]2CN[C@@H]1CO2 MCULE-3527188077 [0,0,0,1,0,1|1,0,1]=4 5042 B9R2.49 C1C[C@H]2CN[C@@H]1CO2 MCULE-4776793272 [0,0,0,1,0,1|1,0,1]=4 5043 B9R2.49 C1C[C@H]2CN[C@@H]1CO2 MCULE-7279586694 [0,0,0,1,0,1|1,0,1]=4 5044 B9R2.49 C1C[C@H]2CN[C@@H]1CO2 MCULE-7746905535 [0,0,0,1,0,1|1,0,1]=4 5045 B9R2.49 [C@@H]12CC[C@@H](CN1)OC2 MCULE-1116503015 [0,0,0,1,0,1|1,0,1]=4 5046 B9R2.49 [C@H]12CC[C@H](CN1)OC2 MCULE-2654811800 [0,0,0,1,0,1|1,0,1]=4 5047 B9R2.49 [C@H]12CC[C@H](CN1)OC2 MCULE-3318924162 [0,0,0,1,0,1|1,0,1]=4 5048 B9R2.8 O=C1CC2CC(C1)C2 MCULE-9643976907 [0,0,0,1,0,1|1,0,0]=3 5049 B9R2.8 O=C1CC2CC(C1)N2 MCULE-3666889878 [0,0,0,1,0,1|1,0,0]=3 5050 B9R2.25 O=C1OC(=O)C2C1C2 MCULE-2570796017 [0,0,0,1,0,1|1,0,1]=4 5051 B9R2.39 BrC1=CC2CCC1C2 MCULE-1542178097 [0,0,0,1,0,1|2,0,0]=4 5052 B9R2.39 C12CNC(C1)C(=O)O2 MCULE-4651135224 [0,0,0,1,0,1|0,0,0]=2 5053 B9R2.39 O=C1CC2C=CC1C2 MCULE-9956317855 [0,0,0,1,0,1|1,0,1]=4 5054 B9R2.39 O=C1CC2CC1CN2 MCULE-1513637451 [0,0,0,1,0,1|1,0,0]=3 5055 B9R2.39 O=C1CC2CC1CN2 MCULE-8245110165 [0,0,0,1,0,1|1,0,0]=3 5056 B9R2.39 O=C1CC2CCC1C2 MCULE-2467634489 [0,0,0,1,0,1|1,0,0]=3 5057 B9R2.39 O=C1CC2CCC1N2 MCULE-2060564396 [0,0,0,1,0,1|2,0,0]=4 5058 B9R2.39 O=C1CC2CCC1N2 MCULE-3298355504 [0,0,0,1,0,1|2,0,0]=4 5059 B9R2.39 O=C1CC2CCC1O2 MCULE-3122768457 [0,0,0,1,0,1|2,0,0]=4 5060 B9R2.39 O=C1CC2CNC1C2 MCULE-1302527504 [0,0,0,1,0,1|1,0,0]=3 5061 B9R2.39 O=C1CC2CNC1C2 MCULE-3367580397 [0,0,0,1,0,1|1,0,0]=3 5062 B9R2.39 O=C1CN2CCC1C2 MCULE-2930167084 [0,0,0,1,0,1|2,0,0]=4 5063 B9R2.39 O=C1CN2CCC1C2 MCULE-6962814008 [0,0,0,1,0,1|2,0,0]=4 5064 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 MCULE-9992741520 [0,0,0,1,0,1|1,0,0]=3 5065 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 MCULE-2228698965 [0,0,0,1,0,1|1,0,0]=3 5066 B9R2.39 O=C1NC2C=CC1C2 MCULE-6558104055 [0,0,0,1,0,1|1,0,1]=4 5067 B9R2.39 O=C1NC2CCC1C2 MCULE-2050587567 [0,0,0,1,0,1|1,0,0]=3 5068 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 MCULE-9490915904 [0,0,0,1,0,1|1,0,1]=4 5069 B9R2.39 O=C1N[C@@H]2CC[C@H]1C2 MCULE-2601085316 [0,0,0,1,0,1|1,0,0]=3 5070 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-6049411288 [0,0,0,1,0,1|1,0,0]=3 5071 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-7775612507 [0,0,0,1,0,1|1,0,0]=3 5072 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 MCULE-6863863448 [0,0,0,1,0,1|1,0,0]=3 5073 B9R2.39 O=C1OC2CNC1C2 MCULE-1081203973 [0,0,0,1,0,1|0,0,0]=2 5074 B9R2.39 O=C1OC2CNC1C2 MCULE-4715019258 [0,0,0,1,0,1|0,0,0]=2 5075 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-1020161730 [0,0,0,1,0,1|0,0,0]=2 5076 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-3837738406 [0,0,0,1,0,1|0,0,0]=2 5077 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-6980885310 [0,0,0,1,0,1|0,0,0]=2 5078 B9R2.39 [C@@H]12C=C([C@@H](C1)CC2)Br MCULE-1979441209 [0,0,0,1,0,1|2,0,0]=4 5079 B9R2.39 [C@@H]12C=C([C@@H](C1)CC2)C MCULE-9983936985 [0,0,0,1,0,1|2,0,0]=4 5080 B9R2.39 [C@@H]12C=C[C@@H](C1)C(=O)N2 MCULE-7927184168 [0,0,0,1,0,1|1,0,1]=4 5081 B9R2.39 [C@@H]12C=C[C@@H](C1)C(=O)N2 MCULE-9869305172 [0,0,0,1,0,1|1,0,1]=4 5082 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O MCULE-3299747937 [0,0,0,1,0,1|1,0,1]=4 5083 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O MCULE-6202052539 [0,0,0,1,0,1|1,0,1]=4 5084 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-4857421267 [0,0,0,1,0,1|0,0,0]=2 5085 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-5314520254 [0,0,0,1,0,1|0,0,0]=2 5086 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-8592680797 [0,0,0,1,0,1|0,0,0]=2 5087 B9R2.39 [C@H]12C=CC(C1)C(=O)N2 MCULE-5474445534 [0,0,0,1,0,1|1,0,1]=4 5088 B9R2.39 [C@H]12CCN(C1)CC2=O MCULE-4642920839 [0,0,0,1,0,1|2,0,0]=4 5089 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 MCULE-3838940137 [0,0,0,1,0,1|1,0,0]=3 5090 B9R2.39 [C@H]12CC[C@H](C1)CC2=O MCULE-1488894938 [0,0,0,1,0,1|1,0,0]=3 5091 B9R2.68 C1CC2CNCC1O2 MCULE-4093579653 [0,0,0,1,0,1|1,0,1]=4 5092 B9R2.68 C1CC2CNCC1O2 MCULE-7085546243 [0,0,0,1,0,1|1,0,1]=4 5093 B9R2.68 C1C[C@@H]2CNC[C@H]1O2 MCULE-4494116231 [0,0,0,1,0,1|1,0,1]=4 5094 B9R2.68 [C@@H]12CC[C@@H](O1)CNC2 MCULE-9999049079 [0,0,0,1,0,1|1,0,1]=4 5095 B9R2.109 O=C1CCCC2C1C2 MCULE-3371095042 [0,0,0,1,0,1|1,0,0]=3 5096 B9R2.109 O=C1CCCC2C1O2 MCULE-6955178123 [0,0,0,1,0,1|2,0,0]=4 5097 B9R2.109 O=C1NCCC2C1C2 MCULE-8817732346 [0,0,0,1,0,1|1,0,0]=3 5098 B9R2.109 [C@@H]12CCCC(=O)[C@@H]1C2 MCULE-9081823070 [0,0,0,1,0,1|1,0,0]=3 5099 B9R2.20 O=C1CCC2C1C=C2 MCULE-8039343866 [0,1,0,1,0,0|1,0,1]=4 5100 B9R2.20 O=C1OCC2C1CC2 MCULE-4454485399 [0,1,0,1,0,0|2,0,0]=4 5101 B9R2.20 O=C1OC[C@@H]2[C@@H]1CC2 MCULE-8016618193 [0,1,0,1,0,0|2,0,0]=4 5102 B9R2.47 O=CC1CC2CC2C1 MCULE-3086245534 [0,1,0,1,0,0|1,0,1]=4 5103 B9R2.139 O=C1CC2(CC2)CN1 MCULE-7165257937 [0,1,0,1,0,0|2,0,0]=4 5104 B9R2.139 O=C1CC2(CC2)CO1 MCULE-1305676940 [0,1,0,1,0,0|2,0,0]=4 5105 B9R2.139 O=C1CCC2(C1)CC2 MCULE-5619539726 [0,1,0,1,0,0|1,0,0]=3 5106 B9R2.139 O=C1CCC2(N1)CC2 MCULE-2706136990 [0,1,0,1,0,0|1,0,0]=3 5107 B9R2.139 O=C1NC2(CC2)CO1 MCULE-1385962947 [0,1,0,1,0,0|2,0,0]=4 5108 B9R2.139 O=C1NCC2(O1)CC2 MCULE-6216048113 [0,1,0,1,0,0|1,0,0]=3 5109 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,0,1,0,1,0|0,0,2]=4 5110 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [0,0,1,0,1,0|1,0,0]=3 5111 B5R0.5 C=C(C)C(C)Cl MCULE-5294924458 [0,0,1,0,1,0|2,0,0]=4 5112 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [0,0,1,0,1,0|2,0,0]=4 5113 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [0,0,1,0,1,0|1,0,1]=4 5114 B5R0.5 CC(=C(C)C)C MCULE-2888318026 [0,0,1,0,1,0|1,0,1]=4 5115 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,0,1,0,1,0|1,0,1]=4 5116 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [0,0,1,0,1,0|1,0,0]=3 5117 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [0,0,1,0,1,0|0,0,0]=2 5118 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [0,0,1,0,1,0|1,0,0]=3 5119 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [0,0,1,0,1,0|1,0,0]=3 5120 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,0,1,0,1,0|1,0,0]=3 5121 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,0,1,0,1,0|1,0,0]=3 5122 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,0,1,0,1,0|1,0,0]=3 5123 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [0,0,1,0,1,0|1,0,0]=3 5124 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [0,0,1,0,1,0|2,0,0]=4 5125 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [0,0,1,0,1,0|2,0,0]=4 5126 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [0,0,1,0,1,0|1,0,0]=3 5127 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [0,0,1,0,1,0|2,0,0]=4 5128 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,0,1,0,1,0|1,0,0]=3 5129 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,0,1,0,1,0|1,0,0]=3 5130 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,0,1,0,1,0|1,0,0]=3 5131 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,0,1,0,1,0|1,0,0]=3 5132 B5R0.5 CC(=S)N(C)C MCULE-6797990305 [0,0,1,0,1,0|1,1,0]=4 5133 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [0,0,1,0,1,0|2,0,0]=4 5134 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [0,0,1,0,1,0|2,0,0]=4 5135 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,0,1,0,1,0|2,0,0]=4 5136 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,0,1,0,1,0|2,0,0]=4 5137 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,0,1,0,1,0|2,0,0]=4 5138 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [0,0,1,0,1,0|2,0,0]=4 5139 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [0,0,1,0,1,0|2,0,0]=4 5140 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [0,0,1,0,1,0|1,0,0]=3 5141 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [0,0,1,0,1,0|1,0,0]=3 5142 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,0,1,0,1,0|1,0,0]=3 5143 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,0,1,0,1,0|1,0,0]=3 5144 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [0,0,1,0,1,0|1,0,0]=3 5145 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [0,0,1,0,1,0|1,1,0]=4 5146 B5R0.5 CC(C)C(C)Br MCULE-8934980523 [0,0,1,0,1,0|1,0,1]=4 5147 B5R0.5 CC(C)C(C)C MCULE-7887644548 [0,0,1,0,1,0|1,0,1]=4 5148 B5R0.5 CC(C)C(C)I MCULE-7528764320 [0,0,1,0,1,0|1,0,1]=4 5149 B5R0.5 CC(C)C(C)N MCULE-1630754475 [0,0,1,0,1,0|1,0,1]=4 5150 B5R0.5 CC(C)C(C)N MCULE-1801901816 [0,0,1,0,1,0|1,0,1]=4 5151 B5R0.5 CC(C)C(C)N MCULE-3544463874 [0,0,1,0,1,0|1,0,1]=4 5152 B5R0.5 CC(C)C(C)N MCULE-4774844065 [0,0,1,0,1,0|1,0,1]=4 5153 B5R0.5 CC(C)C(C)O MCULE-4829392845 [0,0,1,0,1,0|0,0,2]=4 5154 B5R0.5 CC(C)C(C)S MCULE-7489203323 [0,0,1,0,1,0|0,1,1]=4 5155 B5R0.5 CC(C)N(=O)=O MCULE-8418443353 [0,0,1,0,1,0|2,0,0]=4 5156 B5R0.5 CC(C)N(C)C MCULE-1993251030 [0,0,1,0,1,0|2,0,0]=4 5157 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [0,0,1,0,1,0|2,0,0]=4 5158 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [0,0,1,0,1,0|2,0,0]=4 5159 B5R0.5 CC(C)S(=O)[O-] MCULE-2354817364 [0,0,1,0,1,0|2,0,0]=4 5160 B5R0.5 CC(C)[C@@H](C)N MCULE-1953734886 [0,0,1,0,1,0|1,0,1]=4 5161 B5R0.5 CC(C)[C@@H](C)N MCULE-3105334197 [0,0,1,0,1,0|1,0,1]=4 5162 B5R0.5 CC(C)[C@@H](C)N MCULE-9470429569 [0,0,1,0,1,0|1,0,1]=4 5163 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [0,0,1,0,1,0|0,0,2]=4 5164 B5R0.5 CC(C)[C@H](C)N MCULE-2859174363 [0,0,1,0,1,0|1,0,1]=4 5165 B5R0.5 CC(C)[C@H](C)N MCULE-3034457659 [0,0,1,0,1,0|1,0,1]=4 5166 B5R0.5 CC(C)[C@H](C)N MCULE-5904658917 [0,0,1,0,1,0|1,0,1]=4 5167 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [0,0,1,0,1,0|0,0,2]=4 5168 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [0,0,1,0,1,0|0,0,2]=4 5169 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [0,0,1,0,1,0|2,0,0]=4 5170 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,0,1,0,1,0|2,0,0]=4 5171 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,0,1,0,1,0|2,0,0]=4 5172 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,0,1,0,1,0|2,0,0]=4 5173 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,0,1,0,1,0|2,0,0]=4 5174 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,0,1,0,1,0|2,0,0]=4 5175 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,0,1,0,1,0|2,0,0]=4 5176 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,0,1,0,1,0|2,0,0]=4 5177 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,0,1,0,1,0|2,0,0]=4 5178 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,0,1,0,1,0|2,0,0]=4 5179 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,0,1,0,1,0|2,0,0]=4 5180 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,0,1,0,1,0|2,0,0]=4 5181 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,0,1,0,1,0|2,0,0]=4 5182 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,0,1,0,1,0|2,0,0]=4 5183 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,0,1,0,1,0|2,0,0]=4 5184 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,0,1,0,1,0|2,0,0]=4 5185 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,0,1,0,1,0|2,0,0]=4 5186 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,0,1,0,1,0|2,0,0]=4 5187 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,0,1,0,1,0|2,0,0]=4 5188 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,0,1,0,1,0|2,0,0]=4 5189 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,0,1,0,1,0|2,0,0]=4 5190 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,0,1,0,1,0|2,0,0]=4 5191 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,0,1,0,1,0|2,0,0]=4 5192 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,0,1,0,1,0|2,0,0]=4 5193 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,0,1,0,1,0|2,0,0]=4 5194 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [0,0,1,0,1,0|2,0,0]=4 5195 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [0,0,1,0,1,0|2,0,0]=4 5196 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,0,1,0,1,0|2,0,0]=4 5197 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [0,0,1,0,1,0|2,0,0]=4 5198 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,0,1,0,1,0|2,0,0]=4 5199 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,0,1,0,1,0|2,0,0]=4 5200 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [0,0,1,0,1,0|2,0,0]=4 5201 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,0,1,0,1,0|2,0,0]=4 5202 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,0,1,0,1,0|2,0,0]=4 5203 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,0,1,0,1,0|2,0,0]=4 5204 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,0,1,0,1,0|2,0,0]=4 5205 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,0,1,0,1,0|2,0,0]=4 5206 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,0,1,0,1,0|2,0,0]=4 5207 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,0,1,0,1,0|2,0,0]=4 5208 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,0,1,0,1,0|2,0,0]=4 5209 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,0,1,0,1,0|2,0,0]=4 5210 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,0,1,0,1,0|2,0,0]=4 5211 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,0,1,0,1,0|2,0,0]=4 5212 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,0,1,0,1,0|2,0,0]=4 5213 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,0,1,0,1,0|2,0,0]=4 5214 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,0,1,0,1,0|2,0,0]=4 5215 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,0,1,0,1,0|2,0,0]=4 5216 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,0,1,0,1,0|2,0,0]=4 5217 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [0,0,1,0,1,0|2,0,0]=4 5218 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,0,1,0,1,0|2,0,0]=4 5219 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,0,1,0,1,0|2,0,0]=4 5220 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,0,1,0,1,0|2,0,0]=4 5221 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,0,1,0,1,0|2,0,0]=4 5222 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,0,1,0,1,0|2,0,0]=4 5223 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,0,1,0,1,0|2,0,0]=4 5224 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,0,1,0,1,0|2,0,0]=4 5225 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,0,1,0,1,0|2,0,0]=4 5226 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,0,1,0,1,0|2,0,0]=4 5227 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,0,1,0,1,0|2,0,0]=4 5228 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,0,1,0,1,0|2,0,0]=4 5229 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,0,1,0,1,0|2,0,0]=4 5230 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,0,1,0,1,0|2,0,0]=4 5231 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,0,1,0,1,0|2,0,0]=4 5232 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,0,1,0,1,0|2,0,0]=4 5233 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,0,1,0,1,0|2,0,0]=4 5234 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,0,1,0,1,0|2,0,0]=4 5235 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,0,1,0,1,0|2,0,0]=4 5236 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,0,1,0,1,0|2,0,0]=4 5237 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,0,1,0,1,0|2,0,0]=4 5238 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,0,1,0,1,0|2,0,0]=4 5239 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,0,1,0,1,0|2,0,0]=4 5240 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,0,1,0,1,0|2,0,0]=4 5241 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,0,1,0,1,0|2,0,0]=4 5242 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,0,1,0,1,0|2,0,0]=4 5243 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,0,1,0,1,0|2,0,0]=4 5244 B5R1.2 BrC1=CCC1 MCULE-7839710306 [1,0,0,0,1,0|1,0,1]=4 5245 B5R1.2 BrC1CCC1 MCULE-3713567804 [1,0,0,0,1,0|1,0,1]=4 5246 B5R1.2 C=C1CCC1 MCULE-8318650413 [1,0,0,0,1,0|1,0,0]=3 5247 B5R1.2 C=C1CNC1 MCULE-1391021267 [1,0,0,0,1,0|2,0,0]=4 5248 B5R1.2 C=C1CNC1 MCULE-7957953185 [1,0,0,0,1,0|2,0,0]=4 5249 B5R1.2 C=C1COC1 MCULE-1822645869 [1,0,0,0,1,0|2,0,0]=4 5250 B5R1.2 CC1CCN1 MCULE-7952714343 [1,0,0,0,1,0|1,0,0]=3 5251 B5R1.2 CC1CCN1 MCULE-9084374728 [1,0,0,0,1,0|1,0,0]=3 5252 B5R1.2 CC1CNC1 MCULE-3977066574 [1,0,0,0,1,0|1,0,1]=4 5253 B5R1.2 CC1CNC1 MCULE-7868611457 [1,0,0,0,1,0|1,0,1]=4 5254 B5R1.2 C[C@@H]1CCN1 MCULE-1326888606 [1,0,0,0,1,0|1,0,0]=3 5255 B5R1.2 C[C@@H]1CCN1 MCULE-4242598105 [1,0,0,0,1,0|1,0,0]=3 5256 B5R1.2 C[C@@H]1CCN1 MCULE-7982357684 [1,0,0,0,1,0|1,0,0]=3 5257 B5R1.2 C[C@@H]1CCN1 MCULE-9443505478 [1,0,0,0,1,0|1,0,0]=3 5258 B5R1.2 C[C@H]1CCN1 MCULE-3178162849 [1,0,0,0,1,0|1,0,0]=3 5259 B5R1.2 C[C@H]1CCN1 MCULE-4001397038 [1,0,0,0,1,0|1,0,0]=3 5260 B5R1.2 C[C@H]1CCN1 MCULE-4361200248 [1,0,0,0,1,0|1,0,0]=3 5261 B5R1.2 C[C@H]1CCN1 MCULE-6534579029 [1,0,0,0,1,0|1,0,0]=3 5262 B5R1.2 ClC1CCC1 MCULE-2602937313 [1,0,0,0,1,0|1,0,1]=4 5263 B5R1.2 IC1CCC1 MCULE-3890796264 [1,0,0,0,1,0|1,0,1]=4 5264 B5R1.2 NC1CCC1 MCULE-7511834789 [1,0,0,0,1,0|1,0,1]=4 5265 B5R1.2 NC1CCC1 MCULE-9118406840 [1,0,0,0,1,0|1,0,1]=4 5266 B5R1.2 NN1CCC1 MCULE-8176731673 [1,0,0,0,1,0|2,0,0]=4 5267 B5R1.2 NN1CCC1 MCULE-8382619719 [1,0,0,0,1,0|2,0,0]=4 5268 B5R1.2 O=C1CCC1 MCULE-4870967355 [1,0,0,0,1,0|0,0,0]=2 5269 B5R1.2 O=C1CCN1 MCULE-9053067221 [1,0,0,0,1,0|1,0,0]=3 5270 B5R1.2 O=C1CCO1 MCULE-1277069147 [1,0,0,0,1,0|0,0,0]=2 5271 B5R1.2 O=C1CNC1 MCULE-5171659870 [1,0,0,0,1,0|1,0,0]=3 5272 B5R1.2 O=C1CNC1 MCULE-8293494956 [1,0,0,0,1,0|1,0,0]=3 5273 B5R1.2 O=C1COC1 MCULE-6847248632 [1,0,0,0,1,0|1,0,0]=3 5274 B5R1.2 O=C1CSC1 MCULE-4436071261 [1,0,0,0,1,0|1,0,0]=3 5275 B5R1.2 OC1CCC1 MCULE-2856311430 [1,0,0,0,1,0|0,0,2]=4 5276 B5R1.2 SC1CCC1 MCULE-1779239394 [1,0,0,0,1,0|0,1,1]=4 5277 B5R1.4 CC1CC1N MCULE-4472318973 [0,0,0,0,2,0|1,0,1]=4 5278 B5R1.4 CC1CC1N MCULE-8037315228 [0,0,0,0,2,0|1,0,1]=4 5279 B5R1.4 CC1CC1O MCULE-2006758475 [0,0,0,0,2,0|0,0,2]=4 5280 B5R1.4 C[C@@H]1C[C@@H]1N MCULE-6282896395 [0,0,0,0,2,0|1,0,1]=4 5281 B5R1.4 C[C@@H]1C[C@H]1N MCULE-1526017761 [0,0,0,0,2,0|1,0,1]=4 5282 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7111745511 [0,0,0,0,2,0|1,0,1]=4 5283 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7879046644 [0,0,0,0,2,0|1,0,1]=4 5284 B5R1.4 C[C@@H]1C[C@H]1N MCULE-9805986423 [0,0,0,0,2,0|1,0,1]=4 5285 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9525222696 [0,0,0,0,2,0|1,0,1]=4 5286 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9658987958 [0,0,0,0,2,0|1,0,1]=4 5287 B5R1.4 C[C@H]1C[C@H]1N MCULE-4953477750 [0,0,0,0,2,0|1,0,1]=4 5288 B5R1.4 C[C@H]1C[C@H]1N MCULE-6429810931 [0,0,0,0,2,0|1,0,1]=4 5289 B9R1.49 CC1CCCC(=O)CC1 MCULE-8026581790 [0,0,0,0,0,2|1,0,0]=3 5290 B9R1.49 CC1CCNC(=O)CC1 MCULE-4158970437 [0,0,0,0,0,2|1,0,0]=3 5291 B9R1.49 CC1CCS(=O)CCN1 MCULE-7910559861 [0,0,0,0,0,2|2,0,0]=4 5292 B9R1.49 CC1CCS(=O)CCN1 MCULE-8997508937 [0,0,0,0,0,2|2,0,0]=4 5293 B9R1.49 CC1CNC(=O)CCN1 MCULE-4770101901 [0,0,0,0,0,2|1,0,0]=3 5294 B9R1.49 CC1CNC(=O)CCN1 MCULE-5299288950 [0,0,0,0,0,2|1,0,0]=3 5295 B9R1.49 CN1CCCC(=O)CC1 MCULE-1607887623 [0,0,0,0,0,2|2,0,0]=4 5296 B9R1.49 CN1CCCC(=O)CC1 MCULE-9380092932 [0,0,0,0,0,2|2,0,0]=4 5297 B9R1.49 CN1CCNC(=O)CC1 MCULE-4386852783 [0,0,0,0,0,2|2,0,0]=4 5298 B9R1.49 CN1CCNC(=O)CC1 MCULE-7599377981 [0,0,0,0,0,2|2,0,0]=4 5299 B9R1.49 NC1CCCC(=O)NC1 MCULE-1344459585 [0,0,0,0,0,2|2,0,0]=4 5300 B9R1.49 NC1CCCC(=O)NC1 MCULE-1546951296 [0,0,0,0,0,2|2,0,0]=4 5301 B9R1.49 NC1CCNC(=O)CC1 MCULE-5608507579 [0,0,0,0,0,2|2,0,0]=4 5302 B9R1.49 NC1CCNC(=O)CC1 MCULE-7880148448 [0,0,0,0,0,2|2,0,0]=4 5303 B9R1.49 O=C1CCC(=O)COC1 MCULE-3449745230 [0,0,0,0,0,2|1,0,1]=4 5304 B9R1.49 O=C1CCCC(CC1)F MCULE-3071750497 [0,0,0,0,0,2|2,0,0]=4 5305 B9R1.49 O=C1CCCC(CN1)O MCULE-2883103344 [0,0,0,0,0,2|2,0,0]=4 5306 B9R1.48 CC1=CC(=O)CCCC1 MCULE-5466118884 [0,0,0,0,0,2|1,0,1]=4 5307 B9R1.48 CC1CC(=O)NCCN1 MCULE-4537177994 [0,0,0,0,0,2|1,0,0]=3 5308 B9R1.48 CC1CC(=O)NCCS1 MCULE-3715670462 [0,0,0,0,0,2|1,0,0]=3 5309 B9R1.48 CC1CCCCC(=O)C1 MCULE-5791948972 [0,0,0,0,0,2|1,0,0]=3 5310 B9R1.48 CC1CCCCC(=O)N1 MCULE-8985894348 [0,0,0,0,0,2|1,0,0]=3 5311 B9R1.48 CC1CNCCC(=O)N1 MCULE-3663408616 [0,0,0,0,0,2|1,0,0]=3 5312 B9R1.48 CC1CNCCS(=O)C1 MCULE-4138647352 [0,0,0,0,0,2|2,0,0]=4 5313 B9R1.48 CC1CNCCS(=O)C1 MCULE-4597207487 [0,0,0,0,0,2|2,0,0]=4 5314 B9R1.48 CN1CCCNC(=O)C1 MCULE-9846049599 [0,0,0,0,0,2|2,0,0]=4 5315 B9R1.48 C[C@H]1CC(=O)NCCN1 MCULE-6214285788 [0,0,0,0,0,2|1,0,0]=3 5316 B9R1.48 NC1CCCNC(=O)C1 MCULE-3170887073 [0,0,0,0,0,2|2,0,0]=4 5317 B9R1.48 O=C1CC(CCCN1)O MCULE-6648954515 [0,0,0,0,0,2|2,0,0]=4 5318 B9R1.48 O=C1CCCCC(=O)O1 MCULE-7893102377 [0,0,0,0,0,2|1,0,1]=4 5319 B9R1.48 O=C1CCCCC(N1)O MCULE-6756895418 [0,0,0,0,0,2|2,0,0]=4