0 B9R0.15 C#CCC(CC#C)C(=O)O MCULE-4763978808 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.15 C=C(Br)C(OCC)OCC MCULE-1184430452 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.15 C=C(Cl)C(OCC)OCC MCULE-8236575161 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.15 C=CCC(CC=C)C(=O)O MCULE-7388411599 [0,0,0,0,0,0|0,0,4]=4 4 B9R0.15 C=CCC(CCC)C(=O)O MCULE-5379398676 [0,0,0,0,0,0|0,0,2]=2 5 B9R0.15 CC(=O)N(CCCl)CCCl MCULE-5092444869 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.15 CC(=O)N(CCO)CCO MCULE-1068519018 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.15 CCC=C(CCC)C(=O)O MCULE-6379126755 [0,0,0,0,0,0|0,0,2]=2 8 B9R0.15 CCCC(CCC)C(=O)C MCULE-3853377484 [0,0,0,0,0,0|1,0,0]=1 9 B9R0.15 CCCC(CCC)C(=O)Cl MCULE-4979211332 [0,0,0,0,0,0|1,0,0]=1 10 B9R0.15 CCCC(CCC)C(=O)N MCULE-7316825141 [0,0,0,0,0,0|1,0,0]=1 11 B9R0.15 CCCC(CCC)C(=O)O MCULE-7136317196 [0,0,0,0,0,0|0,0,0]=0 12 B9R0.15 CCCC(CCC)C(=O)[O-] MCULE-4799083200 [0,0,0,0,0,0|0,0,1]=1 13 B9R0.15 CCCC(NC=O)C(=O)O MCULE-7516123408 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.15 CCCC(OCC)C(=O)O MCULE-7197686501 [0,0,0,0,0,0|1,0,0]=1 15 B9R0.15 CCCC(SCC)C(=O)[O-] MCULE-3750013296 [0,0,0,0,0,0|1,0,1]=2 16 B9R0.15 CCCC(SCC)C(=O)[O-] MCULE-5882369366 [0,0,0,0,0,0|1,0,1]=2 17 B9R0.15 CCCN(CCC)C(=O)C MCULE-3393111489 [0,0,0,0,0,0|2,0,0]=2 18 B9R0.15 CCCN(CCC)C(=O)Cl MCULE-6057450753 [0,0,0,0,0,0|2,0,0]=2 19 B9R0.15 CCNC(CCN)C(=O)N MCULE-3086906812 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.15 CCOC(OCC)C(=N)N MCULE-4500914119 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.15 CCOC(OCC)C(=N)N MCULE-8693435341 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.15 CCOC(OCC)C(=O)C MCULE-3350106544 [0,0,0,0,0,0|3,0,0]=3 23 B9R0.15 CCOC(OCC)C(=O)N MCULE-5576939683 [0,0,0,0,0,0|3,0,0]=3 24 B9R0.15 CCOC(OCC)C(=O)O MCULE-9319913793 [0,0,0,0,0,0|2,0,0]=2 25 B9R0.15 CCOC(OCC)C(=S)N MCULE-2891059678 [0,0,0,0,0,0|3,1,0]=4 26 B9R0.15 CCSC(SCC)C(=O)N MCULE-3034304577 [0,0,0,0,0,0|3,0,0]=3 27 B9R0.15 COCC(COC)C(=O)O MCULE-6082875325 [0,0,0,0,0,0|2,0,0]=2 28 B9R0.15 COCC(N=N#N)C(=O)O MCULE-4015185594 [0,0,0,0,0,0|4,0,0]=4 29 B9R0.15 NC(=O)N(CCCl)CCCl MCULE-6816554376 [0,0,0,0,0,0|4,0,0]=4 30 B9R0.15 NC(=O)N(CCO)CCO MCULE-7535606627 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.15 NCCC(CCN)C(=O)O MCULE-3747615668 [0,0,0,0,0,0|2,0,0]=2 32 B9R0.15 NCCC(CCN)C(=O)O MCULE-8055618051 [0,0,0,0,0,0|2,0,0]=2 33 B9R0.15 O=C(Cl)N(CCCl)CCCl MCULE-9842448853 [0,0,0,0,0,0|4,0,0]=4 34 B8R0.15 C#CC(OCC)C(=O)O MCULE-4920328481 [1,0,0,0,0,0|1,0,2]=4 35 B8R0.15 C=CCC(CC)C(=O)O MCULE-8599414655 [1,0,0,0,0,0|0,0,2]=3 36 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [1,0,0,0,0,0|1,0,0]=2 37 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [1,0,0,0,0,0|1,0,0]=2 38 B8R0.15 CCC(NC=O)C(=O)O MCULE-6163876154 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.15 CCCC(C#N)C(=O)O MCULE-8231205596 [1,0,0,0,0,0|1,0,1]=3 40 B8R0.15 CCCC(CC)C(=O)C MCULE-3483794250 [1,0,0,0,0,0|1,0,0]=2 41 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [1,0,0,0,0,0|0,0,0]=1 42 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [1,0,0,0,0,0|1,0,0]=2 43 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [1,0,0,0,0,0|1,0,0]=2 44 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [1,0,0,0,0,0|1,0,0]=2 45 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [1,0,0,0,0,0|1,0,0]=2 46 B8R0.15 CCCC(NO)C(=O)O MCULE-7484331195 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.15 CCCC(OC)C(=O)O MCULE-6875744280 [1,0,0,0,0,0|1,0,0]=2 48 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [1,0,0,0,0,0|1,0,0]=2 49 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [1,0,0,0,0,0|1,0,0]=2 50 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [1,0,0,0,0,0|1,0,0]=2 51 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [1,0,0,0,0,0|1,0,0]=2 52 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [1,0,0,0,0,0|1,0,0]=2 53 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [1,0,0,0,0,0|1,0,0]=2 54 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [1,0,0,0,0,0|1,0,0]=2 55 B8R0.15 CCC[C@H](NO)C(=O)O MCULE-7455558431 [1,0,0,0,0,0|2,0,0]=3 56 B8R0.15 CCOC(CBr)C(=O)O MCULE-5345866284 [1,0,0,0,0,0|2,0,0]=3 57 B8R0.15 CCOC(CC)C(=O)N MCULE-8093014638 [1,0,0,0,0,0|2,0,0]=3 58 B8R0.15 CCOC(CC)C(=O)O MCULE-1674742787 [1,0,0,0,0,0|1,0,0]=2 59 B8R0.15 CNC(CCN)C(=O)N MCULE-4176706453 [1,0,0,0,0,0|3,0,0]=4 60 B8R0.15 CNC(CCN)C(=O)O MCULE-6687313255 [1,0,0,0,0,0|2,0,0]=3 61 B8R0.15 CNC(COC)C(=O)N MCULE-9124173069 [1,0,0,0,0,0|3,0,0]=4 62 B8R0.15 CNC(COC)C(=O)O MCULE-4091913769 [1,0,0,0,0,0|2,0,0]=3 63 B8R0.15 CNC(COC)C(=O)O MCULE-6745647660 [1,0,0,0,0,0|2,0,0]=3 64 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-4209872941 [1,0,0,0,0,0|2,0,0]=3 65 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-7202916887 [1,0,0,0,0,0|2,0,0]=3 66 B8R0.15 CN[C@@H](COC)C(=O)N MCULE-2651499559 [1,0,0,0,0,0|3,0,0]=4 67 B8R0.15 CN[C@@H](COC)C(=O)N MCULE-2761071254 [1,0,0,0,0,0|3,0,0]=4 68 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-1874728709 [1,0,0,0,0,0|2,0,0]=3 69 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-3716592032 [1,0,0,0,0,0|2,0,0]=3 70 B8R0.15 COC(CCN)C(=O)N MCULE-4310174639 [1,0,0,0,0,0|3,0,0]=4 71 B8R0.15 COC(CCN)C(=O)O MCULE-1510512790 [1,0,0,0,0,0|2,0,0]=3 72 B8R0.15 COCC(OC)C(=O)O MCULE-5776685365 [1,0,0,0,0,0|2,0,0]=3 73 B8R0.15 COCC(ON)C(=O)O MCULE-4466158339 [1,0,0,0,0,0|3,0,0]=4 74 B8R0.15 COCC(ON)C(=O)O MCULE-6084078663 [1,0,0,0,0,0|3,0,0]=4 75 B8R0.22 C=CC(OCC)OCC MCULE-7552524822 [1,0,0,0,0,0|3,0,0]=4 76 B8R0.22 CCCC(C#N)CCC MCULE-2112995188 [1,0,0,0,0,0|1,0,1]=3 77 B8R0.22 CCCC(C=O)CCC MCULE-6309806380 [1,0,0,0,0,0|0,0,0]=1 78 B8R0.22 CCCC(CBr)CCC MCULE-6937043566 [1,0,0,0,0,0|1,0,1]=3 79 B8R0.22 CCCC(CC)CCC MCULE-5910646657 [1,0,0,0,0,0|1,0,1]=3 80 B8R0.22 CCCC(CCO)SC MCULE-8834379385 [1,0,0,0,0,0|3,0,0]=4 81 B8R0.22 CCCC(CN)CCO MCULE-4682534414 [1,0,0,0,0,0|2,0,1]=4 82 B8R0.22 CCCC(CN)OCC MCULE-2445802050 [1,0,0,0,0,0|2,0,1]=4 83 B8R0.22 CCCC(CO)CCC MCULE-2670894441 [1,0,0,0,0,0|0,0,1]=2 84 B8R0.22 CCCN(C=O)CCC MCULE-8028235265 [1,0,0,0,0,0|1,0,0]=2 85 B8R0.22 CCCN(CC)CCC MCULE-5913266917 [1,0,0,0,0,0|2,0,1]=4 86 B8R0.22 CCCN(CCC)N=O MCULE-8973096480 [1,0,0,0,0,0|2,0,0]=3 87 B8R0.22 CCOC(CO)OCC MCULE-8899036567 [1,0,0,0,0,0|2,0,1]=4 88 B8R0.22 CCSC(C=O)SCC MCULE-8444076277 [1,0,0,0,0,0|2,0,0]=3 89 B10R0.23 C=CCC(CC(C)C)C(=O)O MCULE-2926764647 [0,1,0,0,0,0|0,0,2]=3 90 B10R0.23 CC(=O)NC(CCO)C(=O)O MCULE-2399187108 [0,1,0,0,0,0|2,0,1]=4 91 B10R0.23 CC(=O)N[C@@H](CCS)C(=O)O MCULE-9792008044 [0,1,0,0,0,0|2,0,1]=4 92 B10R0.23 CC(C)CC(CCO)C(=O)[O-] MCULE-4548605892 [0,1,0,0,0,0|1,0,1]=3 93 B10R0.23 CC(C)CC(CCO)C(=O)[O-] MCULE-9161317315 [0,1,0,0,0,0|1,0,1]=3 94 B10R0.23 CC(C)CC(NC=O)C(=O)O MCULE-2113425622 [0,1,0,0,0,0|2,0,1]=4 95 B10R0.23 CC(C)CC(NC=O)C(=O)O MCULE-2665861320 [0,1,0,0,0,0|2,0,1]=4 96 B10R0.23 CC(C)C[C@@H](N=[N+]=[N-])C(=O)O MCULE-7741769150 [0,1,0,0,0,0|3,0,0]=4 97 B10R0.23 CC(C)C[C@@H](N=[N+]=[N-])C(=O)O MCULE-7970110124 [0,1,0,0,0,0|3,0,0]=4 98 B10R0.23 CC(C)C[C@@H](NC=O)C(=O)O MCULE-2403549316 [0,1,0,0,0,0|2,0,1]=4 99 B10R0.23 CC(C)C[C@@H](NC=O)C(=O)O MCULE-7982298582 [0,1,0,0,0,0|2,0,1]=4 100 B10R0.23 CC(C)C[C@H](N=[N+]=[N-])C(=O)O MCULE-1965043467 [0,1,0,0,0,0|3,0,0]=4 101 B10R0.23 CC(C)C[C@H](N=[N+]=[N-])C(=O)O MCULE-3924327145 [0,1,0,0,0,0|3,0,0]=4 102 B10R0.23 CC(C)C[C@H](NC=O)C(=O)O MCULE-3604975300 [0,1,0,0,0,0|2,0,1]=4 103 B10R0.23 CC(C)C[C@H](NC=O)C(=O)O MCULE-7489305926 [0,1,0,0,0,0|2,0,1]=4 104 B10R0.23 CCCC(CC(=O)C)C(=O)O MCULE-7988753662 [0,1,0,0,0,0|0,0,1]=2 105 B10R0.23 CCCC(CC(=O)O)C(=O)O MCULE-5222720019 [0,1,0,0,0,0|1,0,1]=3 106 B10R0.23 CCCC(CC(C)C)C(=O)O MCULE-1147118949 [0,1,0,0,0,0|0,0,0]=1 107 B10R0.23 CCCC(NC(=O)C)C(=O)O MCULE-3719218412 [0,1,0,0,0,0|1,0,1]=3 108 B10R0.23 CCCC(NC(=O)N)C(=O)O MCULE-3451078854 [0,1,0,0,0,0|2,0,1]=4 109 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O MCULE-7396030806 [0,1,0,0,0,0|1,0,1]=3 110 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O MCULE-7424603595 [0,1,0,0,0,0|1,0,1]=3 111 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O MCULE-4836272670 [0,1,0,0,0,0|2,0,1]=4 112 B10R0.23 CCC[C@H](NC(=O)C)C(=O)O MCULE-2905526129 [0,1,0,0,0,0|1,0,1]=3 113 B10R0.23 CCC[C@H](NC(=O)C)C(=O)O MCULE-6395010914 [0,1,0,0,0,0|1,0,1]=3 114 B10R0.23 CNCC(NC(=O)C)C(=O)O MCULE-4047191308 [0,1,0,0,0,0|2,0,1]=4 115 B10R0.23 CNC[C@H](NC(=O)C)C(=O)O MCULE-3833734431 [0,1,0,0,0,0|2,0,1]=4 116 B10R0.23 COCC(CC(=O)O)C(=O)O MCULE-7211279043 [0,1,0,0,0,0|2,0,1]=4 117 B10R0.23 COCC(NC(=O)C)C(=O)O MCULE-9763122983 [0,1,0,0,0,0|2,0,1]=4 118 B10R0.23 COC[C@@H](NC(=O)C)C(=O)O MCULE-2239598357 [0,1,0,0,0,0|2,0,1]=4 119 B10R0.23 COC[C@@H](NC(=O)C)C(=O)O MCULE-4278788977 [0,1,0,0,0,0|2,0,1]=4 120 B10R0.23 COC[C@H](NC(=O)C)C(=O)O MCULE-5146213386 [0,1,0,0,0,0|2,0,1]=4 121 B10R0.23 CSCC(NC(=O)C)C(=O)O MCULE-8059509909 [0,1,0,0,0,0|2,0,1]=4 122 B10R0.23 CSC[C@H](NC(=O)C)C(=O)O MCULE-1058369746 [0,1,0,0,0,0|2,0,1]=4 123 B10R0.30 CCCC(C(=O)C)C(=O)OC MCULE-9505627364 [0,1,0,0,0,0|2,0,1]=4 124 B10R0.30 CCCC(C(=O)O)C(=O)OC MCULE-8198154173 [0,1,0,0,0,0|1,0,1]=3 125 B10R0.30 CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)O MCULE-8569248155 [0,1,0,0,0,0|3,0,0]=4 126 B10R0.30 CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)O MCULE-9621159559 [0,1,0,0,0,0|3,0,0]=4 127 B10R0.73 C#CC(=O)C(OCC)OCC MCULE-1677067787 [0,1,0,0,0,0|3,0,0]=4 128 B10R0.73 C=CC(=O)N(CCC)CCC MCULE-1899020688 [0,1,0,0,0,0|2,0,0]=3 129 B10R0.73 CCCC(CCC)C(=O)OC MCULE-9182422484 [0,1,0,0,0,0|0,0,0]=1 130 B10R0.73 CCCC(CCC)[C@@H](N)CO MCULE-3408380731 [0,1,0,0,0,0|1,0,1]=3 131 B10R0.73 CCCC(CCC)[C@@H](N)CO MCULE-3475100331 [0,1,0,0,0,0|1,0,1]=3 132 B10R0.73 CCCC(N=C=S)C(=O)OC MCULE-4571073531 [0,1,0,0,0,0|2,0,1]=4 133 B10R0.73 CCCN(CCC)C(=O)CCl MCULE-8922100571 [0,1,0,0,0,0|2,0,0]=3 134 B10R0.73 CCCN(CCC)C(=O)CN MCULE-8320562692 [0,1,0,0,0,0|2,0,0]=3 135 B10R0.73 CCCN(CCC)C(=O)CN MCULE-8805842533 [0,1,0,0,0,0|2,0,0]=3 136 B10R0.73 CCCN(CCC)C(=O)CO MCULE-9948129265 [0,1,0,0,0,0|1,0,0]=2 137 B10R0.73 CCC[C@H](N=C=S)C(=O)OC MCULE-4811587334 [0,1,0,0,0,0|2,0,1]=4 138 B10R0.73 CCOC(OCC)C(=N)OC MCULE-2698542477 [0,1,0,0,0,0|3,0,0]=4 139 B10R0.73 CCOC(OCC)C(=O)NN MCULE-7527008015 [0,1,0,0,0,0|3,0,0]=4 140 B10R0.73 CCSC(SCC)C(=O)NC MCULE-7645149183 [0,1,0,0,0,0|3,0,0]=4 141 B10R0.73 CCSC(SCC)C(=O)NN MCULE-5174460702 [0,1,0,0,0,0|3,0,0]=4 142 B10R0.73 COC(=O)C(CCN)CCN MCULE-3230951312 [0,1,0,0,0,0|2,0,0]=3 143 B10R0.73 COC(=O)C(CCN)CCN MCULE-7725875217 [0,1,0,0,0,0|2,0,0]=3 144 B10R0.88 C=CCCC(CCC)B(O)O MCULE-3657146726 [0,1,0,0,0,0|1,0,2]=4 145 B10R0.88 CCCC(CCCO)C(=O)O MCULE-4581279785 [0,1,0,0,0,0|0,0,0]=1 146 B10R0.88 CCCC(CCCO)C(=O)[O-] MCULE-5352096496 [0,1,0,0,0,0|0,0,1]=2 147 B10R0.88 CCCCC(CCC)C(=O)C MCULE-9579571137 [0,1,0,0,0,0|1,0,0]=2 148 B10R0.88 CCCCC(CCC)C(=O)O MCULE-6453713560 [0,1,0,0,0,0|0,0,0]=1 149 B10R0.88 CCCCC(OCC)C(=O)O MCULE-8965525992 [0,1,0,0,0,0|1,0,0]=2 150 B10R0.88 CCCC[C@H](NC=O)C(=O)O MCULE-4509479689 [0,1,0,0,0,0|2,0,1]=4 151 B10R0.88 CCCC[C@H](NC=O)C(=O)O MCULE-9386007072 [0,1,0,0,0,0|2,0,1]=4 152 B10R0.88 CCOC(CN=N#N)C(=O)O MCULE-9350580194 [0,1,0,0,0,0|3,0,0]=4 153 B10R0.88 CCOCC(N=N#N)C(=O)O MCULE-5955226172 [0,1,0,0,0,0|3,0,0]=4 154 B10R0.88 CSCCC(NC=O)C(=O)O MCULE-1321874627 [0,1,0,0,0,0|2,0,1]=4 155 B10R0.88 CSCC[C@@H](N=[N+]=[N-])C(=O)O MCULE-4913744617 [0,1,0,0,0,0|3,0,0]=4 156 B10R0.88 CSCC[C@@H](N=[N+]=[N-])C(=O)O MCULE-6869218736 [0,1,0,0,0,0|3,0,0]=4 157 B10R0.88 CSCC[C@@H](NC=O)C(=O)O MCULE-1193383828 [0,1,0,0,0,0|2,0,1]=4 158 B10R0.88 CSCC[C@H](N=[N+]=[N-])C(=O)O MCULE-3349550763 [0,1,0,0,0,0|3,0,0]=4 159 B10R0.88 CSCC[C@H](N=[N+]=[N-])C(=O)O MCULE-5583634379 [0,1,0,0,0,0|3,0,0]=4 160 B10R0.88 CSCC[C@H](NC=O)C(=O)O MCULE-6184653272 [0,1,0,0,0,0|2,0,1]=4 161 B10R0.88 CSCC[C@H](NC=O)C(=O)O MCULE-8050291491 [0,1,0,0,0,0|2,0,1]=4 162 B10R0.103 CC(CCN)(CCN)C(=O)O MCULE-3684247171 [0,1,0,0,0,0|2,0,0]=3 163 B10R0.103 CC(CCN)(CCN)C(=O)O MCULE-9327329576 [0,1,0,0,0,0|2,0,0]=3 164 B10R0.103 CCCC(C)(CCC)C(=O)O MCULE-1572608465 [0,1,0,0,0,0|0,0,0]=1 165 B10R0.103 CCCC(N)(CCC)C(=O)O MCULE-3861431976 [0,1,0,0,0,0|0,0,0]=1 166 B10R0.103 CCCC(N)(CCC)C(=O)O MCULE-8407628230 [0,1,0,0,0,0|0,0,0]=1 167 B10R0.103 CCCC(O)(CCC)C(=O)O MCULE-2628616078 [0,1,0,0,0,0|0,0,0]=1 168 B10R0.103 CCOC(C)(OCC)C(=O)C MCULE-2084021487 [0,1,0,0,0,0|3,0,0]=4 169 B10R0.103 COCC(N)(COC)C(=O)O MCULE-4566255309 [0,1,0,0,0,0|2,0,0]=3 170 B10R0.103 COCC(O)(COC)C(=O)O MCULE-1633041453 [0,1,0,0,0,0|2,0,0]=3 171 B10R0.139 CCCN(CCC)S(=O)(=O)Cl MCULE-3941123270 [0,1,0,0,0,0|2,0,1]=4 172 B10R0.139 CCNC(NCC)S(=O)(=O)O MCULE-8152307446 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.4 C#CCC1CCCCC1=O MCULE-5207298577 [0,0,0,1,0,0|1,0,2]=4 174 B10R1.4 C#CCC1CCCNC1=O MCULE-4670464373 [0,0,0,1,0,0|1,0,2]=4 175 B10R1.4 C=CCC1CCCCC1=O MCULE-5192402567 [0,0,0,1,0,0|1,0,2]=4 176 B10R1.4 C=CCC1CCCOC1=O MCULE-4559726552 [0,0,0,1,0,0|0,0,2]=3 177 B10R1.4 CCCC1=CCCCC1=O MCULE-9765434554 [0,0,0,1,0,0|1,0,2]=4 178 B10R1.4 CCCC1CCCCC1=O MCULE-3320705054 [0,0,0,1,0,0|1,0,0]=2 179 B10R1.4 CCCC1CCCCC1N MCULE-5022700480 [0,0,0,1,0,0|2,0,1]=4 180 B10R1.4 CCCC1CCCCC1O MCULE-7446006713 [0,0,0,1,0,0|1,0,1]=3 181 B10R1.4 CCCC1CCCCN1C MCULE-6814041819 [0,0,0,1,0,0|3,0,0]=4 182 B10R1.4 CCCC1NCCNC1=O MCULE-9907026950 [0,0,0,1,0,0|2,0,0]=3 183 B10R1.4 CCCN1CCNCC1=O MCULE-6335276136 [0,0,0,1,0,0|3,0,0]=4 184 B10R1.4 CCCN1CCNCC1=O MCULE-9352928130 [0,0,0,1,0,0|3,0,0]=4 185 B10R1.4 CCC[C@H]1OCCC[C@@H]1O MCULE-6368727966 [0,0,0,1,0,0|2,0,1]=4 186 B10R1.4 CCNC1CCCCC1O MCULE-2443480945 [0,0,0,1,0,0|2,0,1]=4 187 B10R1.4 CCN[C@@H]1CCCC[C@H]1O MCULE-3866695986 [0,0,0,1,0,0|2,0,1]=4 188 B10R1.4 CCN[C@@H]1CCCC[C@H]1O MCULE-9998369380 [0,0,0,1,0,0|2,0,1]=4 189 B10R1.4 CCOC1CCCCC1=O MCULE-9251299042 [0,0,0,1,0,0|2,0,0]=3 190 B10R1.4 CCOC1CCCCC1O MCULE-1477945543 [0,0,0,1,0,0|2,0,1]=4 191 B10R1.4 CNCC1CCCCC1O MCULE-3103334855 [0,0,0,1,0,0|2,0,1]=4 192 B10R1.4 N#CCC1CCCCC1=O MCULE-8137543980 [0,0,0,1,0,0|2,0,1]=4 193 B10R1.4 NCCN1CCCCC1=O MCULE-1427901317 [0,0,0,1,0,0|3,0,0]=4 194 B10R1.4 NCCN1CCCCC1=O MCULE-6448945987 [0,0,0,1,0,0|3,0,0]=4 195 B10R1.4 NCCN1CCCCC1=O MCULE-9599542364 [0,0,0,1,0,0|3,0,0]=4 196 B10R1.4 NCCN1CCCOC1=O MCULE-4521838716 [0,0,0,1,0,0|2,0,0]=3 197 B10R1.4 NCCN1CCCOC1=O MCULE-9880721224 [0,0,0,1,0,0|2,0,0]=3 198 B10R1.4 O=C1CCCCN1CCO MCULE-2557885455 [0,0,0,1,0,0|3,0,0]=4 199 B10R1.4 O=C1NCCCC1CCO MCULE-7839494483 [0,0,0,1,0,0|2,0,0]=3 200 B10R1.4 O=C1NCCNC1CCO MCULE-4480568908 [0,0,0,1,0,0|3,0,0]=4 201 B10R1.39 CC(=O)N1CCCC1CBr MCULE-5385585494 [0,0,0,1,0,0|3,0,0]=4 202 B10R1.39 CC(=O)N1CCCC1CCl MCULE-4718210475 [0,0,0,1,0,0|3,0,0]=4 203 B10R1.39 CC(=O)N1CCCC1CI MCULE-8872854102 [0,0,0,1,0,0|3,0,0]=4 204 B10R1.39 CC(=O)N1CCCC1CN MCULE-8374406668 [0,0,0,1,0,0|3,0,0]=4 205 B10R1.39 CC(=O)N1CCCC1CO MCULE-2029735886 [0,0,0,1,0,0|3,0,0]=4 206 B10R1.39 CC(=O)N1CCC[C@@H]1CO MCULE-3119909139 [0,0,0,1,0,0|3,0,0]=4 207 B10R1.39 CC(=O)N1CCC[C@@H]1CO MCULE-7915815739 [0,0,0,1,0,0|3,0,0]=4 208 B10R1.39 CC(=O)N1CCC[C@H]1CBr MCULE-6544208894 [0,0,0,1,0,0|3,0,0]=4 209 B10R1.39 CC(=O)N1CCC[C@H]1CCl MCULE-4340233486 [0,0,0,1,0,0|3,0,0]=4 210 B10R1.39 CC(=O)N1CCC[C@H]1CI MCULE-4108721215 [0,0,0,1,0,0|3,0,0]=4 211 B10R1.39 CC(=O)N1CCC[C@H]1CN MCULE-8445880935 [0,0,0,1,0,0|3,0,0]=4 212 B10R1.39 CC(=O)N1CCC[C@H]1CO MCULE-3135356114 [0,0,0,1,0,0|3,0,0]=4 213 B10R1.39 CC(=O)N1CCC[C@H]1CO MCULE-9351527842 [0,0,0,1,0,0|3,0,0]=4 214 B10R1.39 CCC1CCCC1C(=O)O MCULE-2134315765 [0,0,0,1,0,0|0,0,0]=1 215 B10R1.39 CCC1CCNC1C(=O)O MCULE-1392850907 [0,0,0,1,0,0|1,0,0]=2 216 B10R1.39 CCC1CCNC1C(=O)O MCULE-2618729884 [0,0,0,1,0,0|1,0,0]=2 217 B10R1.39 CCC1NCCC1C(=O)O MCULE-6308897662 [0,0,0,1,0,0|1,0,0]=2 218 B10R1.39 CCC1NCCC1C(=O)O MCULE-6989316364 [0,0,0,1,0,0|1,0,0]=2 219 B10R1.39 CCC1OCCC1C(=O)O MCULE-3029813377 [0,0,0,1,0,0|1,0,0]=2 220 B10R1.39 CCN1CCCC1C(=O)O MCULE-9170639085 [0,0,0,1,0,0|1,0,0]=2 221 B10R1.39 CCN1CCC[C@@H]1C(=O)N MCULE-2931781805 [0,0,0,1,0,0|2,0,0]=3 222 B10R1.39 CCN1CCC[C@@H]1C(=O)O MCULE-6272401541 [0,0,0,1,0,0|1,0,0]=2 223 B10R1.39 CCN1CCC[C@H]1C(=O)N MCULE-7196500635 [0,0,0,1,0,0|2,0,0]=3 224 B10R1.39 CCN1CCC[C@H]1C(=O)N MCULE-8340783541 [0,0,0,1,0,0|2,0,0]=3 225 B10R1.39 CCN1CCC[C@H]1C(=O)O MCULE-4672768595 [0,0,0,1,0,0|1,0,0]=2 226 B10R1.39 CCN1CCC[C@H]1C(=O)O MCULE-5066096497 [0,0,0,1,0,0|1,0,0]=2 227 B10R1.39 CC[C@@H]1CNC[C@@H]1C(=O)O MCULE-8464460557 [0,0,0,1,0,0|1,0,0]=2 228 B10R1.39 CC[C@H]1CNC[C@H]1C(=O)O MCULE-2742804200 [0,0,0,1,0,0|1,0,0]=2 229 B10R1.39 COC1CCCC1C(=O)O MCULE-6165424004 [0,0,0,1,0,0|1,0,0]=2 230 B10R1.39 CSC1CCCC1C(=O)O MCULE-7830513386 [0,0,0,1,0,0|1,0,0]=2 231 B10R1.39 NC(=O)N1CCC[C@H]1CO MCULE-1529936614 [0,0,0,1,0,0|3,0,0]=4 232 B10R1.39 NCC1CCCC1C(=O)O MCULE-5775773821 [0,0,0,1,0,0|1,0,0]=2 233 B10R1.39 NCC1CCCC1C(=O)O MCULE-6872336527 [0,0,0,1,0,0|1,0,0]=2 234 B10R1.39 NCC1OCCC1C(=O)O MCULE-2668866861 [0,0,0,1,0,0|2,0,0]=3 235 B10R1.39 NCC1OCCC1C(=O)O MCULE-9067491644 [0,0,0,1,0,0|2,0,0]=3 236 B10R1.39 NC[C@@H]1CSCN1C(=O)O MCULE-1801556250 [0,0,0,1,0,0|3,0,0]=4 237 B10R1.39 O=C(O)C1CNCC1CO MCULE-4689035983 [0,0,0,1,0,0|2,0,0]=3 238 B10R1.39 O=CN1CCC[C@H]1C(=O)O MCULE-4414225416 [0,0,0,1,0,0|2,0,1]=4 239 B10R1.39 O=CN1CCC[C@H]1C(=O)O MCULE-8771289289 [0,0,0,1,0,0|2,0,1]=4 240 B10R1.39 O=NN1CCCC1C(=O)O MCULE-4315718435 [0,0,0,1,0,0|3,0,0]=4 241 B10R1.48 CCC1=C(C1C(=O)O)CC MCULE-2956256279 [0,0,0,1,0,0|0,0,2]=3 242 B10R1.58 CN1CC(CC1=O)C(=O)O MCULE-2604682023 [0,0,0,1,0,0|2,0,1]=4 243 B10R1.58 CN1C[C@@H](CC1=O)C(=O)O MCULE-4410278134 [0,0,0,1,0,0|2,0,1]=4 244 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-2019095795 [0,0,0,1,0,0|2,0,0]=3 245 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-7012514700 [0,0,0,1,0,0|2,0,0]=3 246 B10R1.58 O=C(O)C1CC(C(C1)Br)Br MCULE-6168529373 [0,0,0,1,0,0|2,0,0]=3 247 B10R1.113 CC(=O)C1CCCN(C1)C MCULE-4171786992 [0,0,0,1,0,0|2,0,0]=3 248 B10R1.113 CC(=O)C1CCCN(C1)C MCULE-6409364695 [0,0,0,1,0,0|2,0,0]=3 249 B10R1.113 CC(=O)N1CCCC(C1)Br MCULE-2395158010 [0,0,0,1,0,0|3,0,0]=4 250 B10R1.113 CC(=O)N1CCCC(C1)C MCULE-5497136448 [0,0,0,1,0,0|2,0,0]=3 251 B10R1.113 CC(=O)N1CCCC(C1)Cl MCULE-9659356353 [0,0,0,1,0,0|3,0,0]=4 252 B10R1.113 CC(=O)N1CCCC(C1)I MCULE-6220033653 [0,0,0,1,0,0|3,0,0]=4 253 B10R1.113 CC(=O)N1CCCC(C1)N MCULE-4642648861 [0,0,0,1,0,0|3,0,0]=4 254 B10R1.113 CC(=O)N1CCCC(C1)N MCULE-7081928105 [0,0,0,1,0,0|3,0,0]=4 255 B10R1.113 CC(=O)N1CCCC(C1)O MCULE-4557043332 [0,0,0,1,0,0|3,0,0]=4 256 B10R1.113 CC(=O)N1CCC[C@@H](C1)Br MCULE-1763543062 [0,0,0,1,0,0|3,0,0]=4 257 B10R1.113 CC(=O)N1CCC[C@@H](C1)Cl MCULE-4405318233 [0,0,0,1,0,0|3,0,0]=4 258 B10R1.113 CC(=O)N1CCC[C@@H](C1)I MCULE-5702312890 [0,0,0,1,0,0|3,0,0]=4 259 B10R1.113 CC(=O)N1CCC[C@@H](C1)N MCULE-2900342300 [0,0,0,1,0,0|3,0,0]=4 260 B10R1.113 CC(=O)N1CCC[C@@H](C1)N MCULE-5325252584 [0,0,0,1,0,0|3,0,0]=4 261 B10R1.113 CC(=O)N1CCC[C@@H](C1)N MCULE-9462446118 [0,0,0,1,0,0|3,0,0]=4 262 B10R1.113 CC(=O)N1CCC[C@@H](C1)O MCULE-1777848146 [0,0,0,1,0,0|3,0,0]=4 263 B10R1.113 CC(=O)N1CCC[C@@H](C1)O MCULE-5198604448 [0,0,0,1,0,0|3,0,0]=4 264 B10R1.113 CC(=O)N1CCC[C@H](C1)Br MCULE-3345623932 [0,0,0,1,0,0|3,0,0]=4 265 B10R1.113 CC(=O)N1CCC[C@H](C1)Cl MCULE-5466650776 [0,0,0,1,0,0|3,0,0]=4 266 B10R1.113 CC(=O)N1CCC[C@H](C1)I MCULE-7518944169 [0,0,0,1,0,0|3,0,0]=4 267 B10R1.113 CC(=O)N1CCC[C@H](C1)N MCULE-2743229947 [0,0,0,1,0,0|3,0,0]=4 268 B10R1.113 CC(=O)N1CCC[C@H](C1)N MCULE-2860088162 [0,0,0,1,0,0|3,0,0]=4 269 B10R1.113 CC(=O)N1CCC[C@H](C1)N MCULE-5518465296 [0,0,0,1,0,0|3,0,0]=4 270 B10R1.113 CC(=O)N1CCC[C@H](C1)N MCULE-8760084774 [0,0,0,1,0,0|3,0,0]=4 271 B10R1.113 CC(=O)N1CCC[C@H](C1)O MCULE-4329362874 [0,0,0,1,0,0|3,0,0]=4 272 B10R1.113 CC(=O)N1CCC[C@H](C1)O MCULE-8344466566 [0,0,0,1,0,0|3,0,0]=4 273 B10R1.113 CC(=O)N1CCNC(C1)C MCULE-1749099012 [0,0,0,1,0,0|3,0,0]=4 274 B10R1.113 CC(=O)N1CCNC(C1)C MCULE-4189398962 [0,0,0,1,0,0|3,0,0]=4 275 B10R1.113 CC(=O)N1CCNC(C1)C MCULE-7900688171 [0,0,0,1,0,0|3,0,0]=4 276 B10R1.113 CC(=O)N1CCNC(C1)C MCULE-8054126230 [0,0,0,1,0,0|3,0,0]=4 277 B10R1.113 CC(=O)N1CCN[C@H](C1)C MCULE-2542056943 [0,0,0,1,0,0|3,0,0]=4 278 B10R1.113 CC(=O)N1CCN[C@H](C1)C MCULE-4899426531 [0,0,0,1,0,0|3,0,0]=4 279 B10R1.113 CC(=O)N1CCN[C@H](C1)C MCULE-8214824181 [0,0,0,1,0,0|3,0,0]=4 280 B10R1.113 CC(=O)N1CCN[C@H](C1)C MCULE-9555237590 [0,0,0,1,0,0|3,0,0]=4 281 B10R1.113 CC1=CCCC(C1)C(=O)O MCULE-1528958679 [0,0,0,1,0,0|0,0,2]=3 282 B10R1.113 CC1=NCCC(N1)C(=O)O MCULE-8417553503 [0,0,0,1,0,0|2,0,1]=4 283 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-2656568536 [0,0,0,1,0,0|2,0,1]=4 284 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-4918579312 [0,0,0,1,0,0|2,0,1]=4 285 B10R1.113 CC1CC(CCN1)C(=O)O MCULE-7720743223 [0,0,0,1,0,0|1,0,0]=2 286 B10R1.113 CC1CC(CCN1)C(=O)O MCULE-8584436669 [0,0,0,1,0,0|1,0,0]=2 287 B10R1.113 CC1CC(CCO1)C(=O)O MCULE-8051149188 [0,0,0,1,0,0|1,0,0]=2 288 B10R1.113 CC1CCCC(C1)C(=O)O MCULE-1709216331 [0,0,0,1,0,0|0,0,0]=1 289 B10R1.113 CC1CCCC(C1)[C@H](C)N MCULE-4542527256 [0,0,0,1,0,0|2,0,1]=4 290 B10R1.113 CC1CCCC(C1)[C@H](C)N MCULE-8607248780 [0,0,0,1,0,0|2,0,1]=4 291 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-2752928027 [0,0,0,1,0,0|1,0,0]=2 292 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7361502591 [0,0,0,1,0,0|1,0,0]=2 293 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7906995060 [0,0,0,1,0,0|1,0,0]=2 294 B10R1.113 CC1CCCC(O1)C(=O)O MCULE-2545962496 [0,0,0,1,0,0|1,0,0]=2 295 B10R1.113 CC1CCCN(C1)C(=N)N MCULE-1673125896 [0,0,0,1,0,0|3,0,0]=4 296 B10R1.113 CC1CCCN(C1)C(=N)N MCULE-9712542981 [0,0,0,1,0,0|3,0,0]=4 297 B10R1.113 CC1CCCN(C1)C(=O)Cl MCULE-9803843077 [0,0,0,1,0,0|2,0,0]=3 298 B10R1.113 CC1CCCN(C1)C(=S)N MCULE-6966556396 [0,0,0,1,0,0|2,1,0]=4 299 B10R1.113 CC1CCNC(C1)C(=O)N MCULE-8372541866 [0,0,0,1,0,0|2,0,0]=3 300 B10R1.113 CC1CCNC(C1)C(=O)O MCULE-7170086856 [0,0,0,1,0,0|1,0,0]=2 301 B10R1.113 CC1CCNC(C1)C(C)O MCULE-6816426503 [0,0,0,1,0,0|2,0,1]=4 302 B10R1.113 CC1CNCC(C1)C(=O)O MCULE-6208683659 [0,0,0,1,0,0|1,0,0]=2 303 B10R1.113 CC1CNCC(O1)C(=O)N MCULE-4373996098 [0,0,0,1,0,0|3,0,0]=4 304 B10R1.113 CC1CNCC(O1)C(=O)O MCULE-4851002529 [0,0,0,1,0,0|2,0,0]=3 305 B10R1.113 CC1COCC(N1)C(=O)N MCULE-4300959650 [0,0,0,1,0,0|3,0,0]=4 306 B10R1.113 CC1COCC(N1)C(=O)O MCULE-6739051094 [0,0,0,1,0,0|2,0,0]=3 307 B10R1.113 CN1CCC=C(C1)C(=O)O MCULE-5778457701 [0,0,0,1,0,0|1,0,2]=4 308 B10R1.113 CN1CCCC(C1)B(O)O MCULE-8560351993 [0,0,0,1,0,0|2,0,1]=4 309 B10R1.113 CN1CCCC(C1)B(O)O MCULE-8599361175 [0,0,0,1,0,0|2,0,1]=4 310 B10R1.113 CN1CCCC(C1)C(=N)N MCULE-8556343048 [0,0,0,1,0,0|3,0,0]=4 311 B10R1.113 CN1CCCC(C1)C(=N)N MCULE-9412786841 [0,0,0,1,0,0|3,0,0]=4 312 B10R1.113 CN1CCCC(C1)C(=O)Cl MCULE-2256974113 [0,0,0,1,0,0|2,0,0]=3 313 B10R1.113 CN1CCCC(C1)C(=O)Cl MCULE-6072454792 [0,0,0,1,0,0|2,0,0]=3 314 B10R1.113 CN1CCCC(C1)C(=O)N MCULE-2482020070 [0,0,0,1,0,0|2,0,0]=3 315 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-2577677138 [0,0,0,1,0,0|1,0,0]=2 316 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-9093982856 [0,0,0,1,0,0|1,0,0]=2 317 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3472059995 [0,0,0,1,0,0|1,0,0]=2 318 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3661518240 [0,0,0,1,0,0|1,0,0]=2 319 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-4244061094 [0,0,0,1,0,0|1,0,0]=2 320 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-1368409828 [0,0,0,1,0,0|1,0,0]=2 321 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-2079226353 [0,0,0,1,0,0|1,0,0]=2 322 B10R1.113 CN1CCNC(C1)C(=O)N MCULE-3257789162 [0,0,0,1,0,0|3,0,0]=4 323 B10R1.113 CN1CCNC(C1)C(=O)N MCULE-6597619500 [0,0,0,1,0,0|3,0,0]=4 324 B10R1.113 CN1CCNC(C1)C(=O)O MCULE-2247528725 [0,0,0,1,0,0|2,0,0]=3 325 B10R1.113 CN1CCNC(C1)C(=O)O MCULE-9094338983 [0,0,0,1,0,0|2,0,0]=3 326 B10R1.113 CN1CCN[C@@H](C1)C(=O)O MCULE-5238925665 [0,0,0,1,0,0|2,0,0]=3 327 B10R1.113 CN1CCN[C@@H](C1)C(=O)O MCULE-6341643779 [0,0,0,1,0,0|2,0,0]=3 328 B10R1.113 CN1CCN[C@H](C1)C(=O)O MCULE-1518073789 [0,0,0,1,0,0|2,0,0]=3 329 B10R1.113 CN1CCN[C@H](C1)C(=O)O MCULE-8312508233 [0,0,0,1,0,0|2,0,0]=3 330 B10R1.113 CN1CCOC(C1)C(=O)O MCULE-5046751827 [0,0,0,1,0,0|2,0,0]=3 331 B10R1.113 CN1CCOC(C1)C(=O)O MCULE-8819512874 [0,0,0,1,0,0|2,0,0]=3 332 B10R1.113 CS(=O)C1CCCC(C1)N MCULE-3230262975 [0,0,0,1,0,0|3,0,0]=4 333 B10R1.113 CS(=O)C1CCCC(C1)O MCULE-2451665084 [0,0,0,1,0,0|3,0,0]=4 334 B10R1.113 C[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-4534640450 [0,0,0,1,0,0|0,0,0]=1 335 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6827473516 [0,0,0,1,0,0|1,0,0]=2 336 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6916060172 [0,0,0,1,0,0|1,0,0]=2 337 B10R1.113 C[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2658835025 [0,0,0,1,0,0|0,0,0]=1 338 B10R1.113 C[C@@H]1CCN[C@@H](C1)C(=O)O MCULE-6382189211 [0,0,0,1,0,0|1,0,0]=2 339 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-3220705725 [0,0,0,1,0,0|1,0,0]=2 340 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-4368703620 [0,0,0,1,0,0|1,0,0]=2 341 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-5852226290 [0,0,0,1,0,0|1,0,0]=2 342 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-8448888283 [0,0,0,1,0,0|1,0,0]=2 343 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-6787897599 [0,0,0,1,0,0|1,0,0]=2 344 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-7011808441 [0,0,0,1,0,0|1,0,0]=2 345 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-1640808929 [0,0,0,1,0,0|2,0,0]=3 346 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-5152957457 [0,0,0,1,0,0|2,0,0]=3 347 B10R1.113 C[C@@H]1CNC[C@H](C1)C(=O)O MCULE-8762702780 [0,0,0,1,0,0|1,0,0]=2 348 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O MCULE-6500795104 [0,0,0,1,0,0|1,0,0]=2 349 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O MCULE-9135304432 [0,0,0,1,0,0|1,0,0]=2 350 B10R1.113 C[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2151963828 [0,0,0,1,0,0|0,0,0]=1 351 B10R1.113 C[C@H]1CCC[C@H](C1)C(=O)O MCULE-9191189376 [0,0,0,1,0,0|0,0,0]=1 352 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O MCULE-3797871093 [0,0,0,1,0,0|1,0,0]=2 353 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O MCULE-3813657182 [0,0,0,1,0,0|1,0,0]=2 354 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O MCULE-8048617173 [0,0,0,1,0,0|1,0,0]=2 355 B10R1.113 C[C@H]1CNC[C@@H](C1)C(=O)O MCULE-9182357479 [0,0,0,1,0,0|1,0,0]=2 356 B10R1.113 C[C@H]1CNC[C@H](C1)C(=O)O MCULE-7208949681 [0,0,0,1,0,0|1,0,0]=2 357 B10R1.113 C[C@H]1C[C@H](CCN1)C(=O)O MCULE-3777490064 [0,0,0,1,0,0|1,0,0]=2 358 B10R1.113 C[C@H]1C[C@H](CCN1)C(=O)O MCULE-7587755997 [0,0,0,1,0,0|1,0,0]=2 359 B10R1.113 C[NH+]1CCC=C(C1)C(=O)O MCULE-8096594321 [0,0,0,1,0,0|1,0,2]=4 360 B10R1.113 NC(=O)C1CCCC(=O)C1 MCULE-3502536681 [0,0,0,1,0,0|2,0,1]=4 361 B10R1.113 NC(=O)C1CCCC(C1)N MCULE-5887465193 [0,0,0,1,0,0|2,0,0]=3 362 B10R1.113 NC(=O)N1CCCC(C1)N MCULE-6231215658 [0,0,0,1,0,0|3,0,0]=4 363 B10R1.113 NC(=O)N1CCCC(C1)N MCULE-7051693066 [0,0,0,1,0,0|3,0,0]=4 364 B10R1.113 NC(=O)N1CCC[C@H](C1)N MCULE-7905125532 [0,0,0,1,0,0|3,0,0]=4 365 B10R1.113 NC(=O)N1CCC[C@H](C1)N MCULE-9518047308 [0,0,0,1,0,0|3,0,0]=4 366 B10R1.113 NC(=O)[C@@H]1CCC[C@H](C1)N MCULE-1352569589 [0,0,0,1,0,0|2,0,0]=3 367 B10R1.113 NC(=O)[C@@H]1CCC[C@H](C1)N MCULE-3084012877 [0,0,0,1,0,0|2,0,0]=3 368 B10R1.113 NC(=O)[C@@H]1CCC[C@H](C1)N MCULE-3571668618 [0,0,0,1,0,0|2,0,0]=3 369 B10R1.113 NC(=O)[C@@H]1CCC[C@H](C1)N MCULE-3930179934 [0,0,0,1,0,0|2,0,0]=3 370 B10R1.113 NC1C=CCC(C1)C(=O)O MCULE-4308750395 [0,0,0,1,0,0|1,0,2]=4 371 B10R1.113 NC1C=CCC(C1)C(=O)O MCULE-5984594154 [0,0,0,1,0,0|1,0,2]=4 372 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-1721377644 [0,0,0,1,0,0|1,0,0]=2 373 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-3598251126 [0,0,0,1,0,0|1,0,0]=2 374 B10R1.113 NC1CCOC(C1)C(=O)O MCULE-7071803947 [0,0,0,1,0,0|2,0,0]=3 375 B10R1.113 NC1CCOC(C1)C(=O)O MCULE-7129710557 [0,0,0,1,0,0|2,0,0]=3 376 B10R1.113 N[C@@H]1C=CCC(C1)C(=O)O MCULE-5349723370 [0,0,0,1,0,0|1,0,2]=4 377 B10R1.113 N[C@@H]1C=CCC(C1)C(=O)O MCULE-8912699325 [0,0,0,1,0,0|1,0,2]=4 378 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5563204448 [0,0,0,1,0,0|1,0,0]=2 379 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5798146682 [0,0,0,1,0,0|1,0,0]=2 380 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-8105249419 [0,0,0,1,0,0|1,0,0]=2 381 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-9161171059 [0,0,0,1,0,0|1,0,0]=2 382 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2713838733 [0,0,0,1,0,0|1,0,0]=2 383 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2810146308 [0,0,0,1,0,0|1,0,0]=2 384 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-3141762073 [0,0,0,1,0,0|1,0,0]=2 385 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-6970045085 [0,0,0,1,0,0|1,0,0]=2 386 B10R1.113 N[C@@H]1CCO[C@H](C1)C(=O)O MCULE-5264166397 [0,0,0,1,0,0|2,0,0]=3 387 B10R1.113 N[C@@H]1CCO[C@H](C1)C(=O)O MCULE-6153195788 [0,0,0,1,0,0|2,0,0]=3 388 B10R1.113 N[C@H]1C=CCC(C1)C(=O)O MCULE-1166952810 [0,0,0,1,0,0|1,0,2]=4 389 B10R1.113 N[C@H]1C=CCC(C1)C(=O)O MCULE-4761766781 [0,0,0,1,0,0|1,0,2]=4 390 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-3283868687 [0,0,0,1,0,0|1,0,0]=2 391 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-5009823003 [0,0,0,1,0,0|1,0,0]=2 392 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-6716939610 [0,0,0,1,0,0|1,0,0]=2 393 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-8264766500 [0,0,0,1,0,0|1,0,0]=2 394 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-1016300044 [0,0,0,1,0,0|1,0,0]=2 395 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-2730367375 [0,0,0,1,0,0|1,0,0]=2 396 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3326410223 [0,0,0,1,0,0|1,0,0]=2 397 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3370817462 [0,0,0,1,0,0|1,0,0]=2 398 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3467671648 [0,0,0,1,0,0|1,0,0]=2 399 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-7929171022 [0,0,0,1,0,0|1,0,0]=2 400 B10R1.113 O=C(O)C1=CC(CCC1)O MCULE-3053514968 [0,0,0,1,0,0|1,0,2]=4 401 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-2758341308 [0,0,0,1,0,0|2,0,0]=3 402 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-7585455422 [0,0,0,1,0,0|2,0,0]=3 403 B10R1.113 O=C(O)C1CCCC(C1)F MCULE-2589850350 [0,0,0,1,0,0|1,0,0]=2 404 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [0,0,0,1,0,0|1,0,0]=2 405 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-1307689360 [0,0,0,1,0,0|2,0,0]=3 406 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-6671293935 [0,0,0,1,0,0|2,0,0]=3 407 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-2725116552 [0,0,0,1,0,0|3,0,0]=4 408 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-7493333189 [0,0,0,1,0,0|3,0,0]=4 409 B10R1.113 O=C(O)[C@@H]1CC=C[C@@H](C1)O MCULE-3205925226 [0,0,0,1,0,0|1,0,2]=4 410 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [0,0,0,1,0,0|1,0,0]=2 411 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [0,0,0,1,0,0|1,0,0]=2 412 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [0,0,0,1,0,0|1,0,0]=2 413 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [0,0,0,1,0,0|1,0,0]=2 414 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-1390000123 [0,0,0,1,0,0|2,0,0]=3 415 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-5873942206 [0,0,0,1,0,0|2,0,0]=3 416 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O MCULE-5317131791 [0,0,0,1,0,0|2,0,0]=3 417 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [0,0,0,1,0,0|1,0,0]=2 418 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [0,0,0,1,0,0|1,0,0]=2 419 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [0,0,0,1,0,0|1,0,0]=2 420 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [0,0,0,1,0,0|1,0,0]=2 421 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1474484031 [0,0,0,1,0,0|2,0,0]=3 422 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1820373402 [0,0,0,1,0,0|2,0,0]=3 423 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4771226737 [0,0,0,1,0,0|2,0,0]=3 424 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4907773186 [0,0,0,1,0,0|2,0,0]=3 425 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-8175624129 [0,0,0,1,0,0|2,0,0]=3 426 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-4751772547 [0,0,0,1,0,0|2,0,0]=3 427 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-6686826243 [0,0,0,1,0,0|2,0,0]=3 428 B10R1.113 O=C1CC(CCN1)C(=O)O MCULE-8037650535 [0,0,0,1,0,0|2,0,1]=4 429 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [0,0,0,1,0,0|1,0,1]=3 430 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9444010827 [0,0,0,1,0,0|2,0,1]=4 431 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9607599809 [0,0,0,1,0,0|2,0,1]=4 432 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [0,0,0,1,0,0|1,0,1]=3 433 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-3091454903 [0,0,0,1,0,0|2,0,1]=4 434 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-5853502175 [0,0,0,1,0,0|2,0,1]=4 435 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [0,0,0,1,0,0|1,0,1]=3 436 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-6509598163 [0,0,0,1,0,0|2,0,1]=4 437 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-7646943695 [0,0,0,1,0,0|2,0,1]=4 438 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-6916176336 [0,0,0,1,0,0|2,0,1]=4 439 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-9262761817 [0,0,0,1,0,0|2,0,1]=4 440 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-1115212106 [0,0,0,1,0,0|2,0,1]=4 441 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5896394571 [0,0,0,1,0,0|2,0,1]=4 442 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5937606037 [0,0,0,1,0,0|2,0,1]=4 443 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-7073629862 [0,0,0,1,0,0|2,0,1]=4 444 B10R1.113 O=C1C[C@@H](CCN1)C(=O)O MCULE-5205458306 [0,0,0,1,0,0|2,0,1]=4 445 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-6254957663 [0,0,0,1,0,0|2,0,1]=4 446 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-9670666580 [0,0,0,1,0,0|2,0,1]=4 447 B10R1.113 [C@@H]1(CCCC(N1)C)C(=O)O MCULE-7930307305 [0,0,0,1,0,0|1,0,0]=2 448 B10R1.113 [C@H]1(CCCN(C1)C)C(=O)O MCULE-4364645223 [0,0,0,1,0,0|1,0,0]=2 449 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-2539251802 [0,0,0,1,0,0|1,0,0]=2 450 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-4407634771 [0,0,0,1,0,0|1,0,0]=2 451 B10R1.130 CCCC1NC(=O)OC1=O MCULE-7525289732 [0,0,0,1,0,0|2,0,1]=4 452 B10R1.130 CCCN1CC(CC1=O)N MCULE-1814384667 [0,0,0,1,0,0|3,0,0]=4 453 B10R1.130 CCCN1CC(CC1=O)N MCULE-3769290383 [0,0,0,1,0,0|3,0,0]=4 454 B10R1.130 CCCN1C[C@H](CC1=O)O MCULE-6013783989 [0,0,0,1,0,0|3,0,0]=4 455 B10R1.130 CCC[C@@H]1NC(=O)OC1=O MCULE-7186217014 [0,0,0,1,0,0|2,0,1]=4 456 B10R1.130 CCC[C@H]1NC(=O)OC1=O MCULE-7770718428 [0,0,0,1,0,0|2,0,1]=4 457 B10R1.133 NCCC1CCCS1(=O)=O MCULE-2892450980 [0,0,0,1,0,0|2,0,1]=4 458 B10R1.133 NCCC1CCCS1(=O)=O MCULE-7530034914 [0,0,0,1,0,0|2,0,1]=4 459 B10R1.290 CCOC(C(=O)O)C1CC1 MCULE-4609509575 [0,0,0,1,0,0|1,0,0]=2 460 B10R1.348 CC(=O)C1CCCCCC1 MCULE-9324503120 [0,0,0,1,0,0|1,0,0]=2 461 B10R1.348 CC(=O)N1CCCCCC1 MCULE-4232660324 [0,0,0,1,0,0|2,0,0]=3 462 B10R1.348 CC(=O)N1CCCNCC1 MCULE-1264485184 [0,0,0,1,0,0|3,0,0]=4 463 B10R1.348 CC(=O)N1CCCNCC1 MCULE-8835178311 [0,0,0,1,0,0|3,0,0]=4 464 B10R1.348 CC(O)C1CCCCCC1 MCULE-6112396200 [0,0,0,1,0,0|1,0,1]=3 465 B10R1.348 C[C@@H](N)C1CCCCCC1 MCULE-1599761893 [0,0,0,1,0,0|2,0,1]=4 466 B10R1.348 C[C@@H](N)C1CCCCCC1 MCULE-9667159490 [0,0,0,1,0,0|2,0,1]=4 467 B10R1.348 C[C@@H](O)C1CCCCCC1 MCULE-7903519728 [0,0,0,1,0,0|1,0,1]=3 468 B10R1.348 C[C@H](N)C1CCCCCC1 MCULE-4475691381 [0,0,0,1,0,0|2,0,1]=4 469 B10R1.348 C[C@H](N)C1CCCCCC1 MCULE-7857089254 [0,0,0,1,0,0|2,0,1]=4 470 B10R1.348 C[C@H](O)C1CCCCCC1 MCULE-5041888426 [0,0,0,1,0,0|1,0,1]=3 471 B10R1.348 N=C(N)C1CCCCCC1 MCULE-2361950713 [0,0,0,1,0,0|2,0,0]=3 472 B10R1.348 N=C(N)C1CCCCCC1 MCULE-8756683037 [0,0,0,1,0,0|2,0,0]=3 473 B10R1.348 N=C(N)N1CCCCCC1 MCULE-2545773830 [0,0,0,1,0,0|3,0,0]=4 474 B10R1.348 N=C(N)N1CCCCCC1 MCULE-7077276891 [0,0,0,1,0,0|3,0,0]=4 475 B10R1.348 NC(=O)C1CCCCCC1 MCULE-2005648941 [0,0,0,1,0,0|1,0,0]=2 476 B10R1.348 NC(=O)C1CCCCNC1 MCULE-6748059498 [0,0,0,1,0,0|2,0,0]=3 477 B10R1.348 NC(=O)C1CCCCNC1 MCULE-8697140088 [0,0,0,1,0,0|2,0,0]=3 478 B10R1.348 NC(=O)C1CNCCOC1 MCULE-3555049909 [0,0,0,1,0,0|3,0,0]=4 479 B10R1.348 NC(=O)N1CCCCCC1 MCULE-6181473782 [0,0,0,1,0,0|2,0,0]=3 480 B10R1.348 NC(=O)N1CCCNCC1 MCULE-1958255797 [0,0,0,1,0,0|3,0,0]=4 481 B10R1.348 NC(=S)N1CCCCCC1 MCULE-2239849602 [0,0,0,1,0,0|2,1,0]=4 482 B10R1.348 NC(=[NH2+])N1CCCCCC1 MCULE-6100967271 [0,0,0,1,0,0|3,0,0]=4 483 B10R1.348 O=C(Cl)C1CCCCCC1 MCULE-4659434885 [0,0,0,1,0,0|1,0,0]=2 484 B10R1.348 O=C(Cl)N1CCCCCC1 MCULE-3861437886 [0,0,0,1,0,0|2,0,0]=3 485 B10R1.348 O=C(O)C1=CCCCCC1 MCULE-5438079704 [0,0,0,1,0,0|0,0,2]=3 486 B10R1.348 O=C(O)C1=CCCOCC1 MCULE-6315041103 [0,0,0,1,0,0|1,0,2]=4 487 B10R1.348 O=C(O)C1CCC=CCC1 MCULE-6767000432 [0,0,0,1,0,0|0,0,2]=3 488 B10R1.348 O=C(O)C1CCCCCC1 MCULE-7903672891 [0,0,0,1,0,0|0,0,0]=1 489 B10R1.348 O=C(O)C1CCCCCN1 MCULE-2741684183 [0,0,0,1,0,0|1,0,0]=2 490 B10R1.348 O=C(O)C1CCCCCN1 MCULE-7374703751 [0,0,0,1,0,0|1,0,0]=2 491 B10R1.348 O=C(O)C1CCCCNC1 MCULE-3392190626 [0,0,0,1,0,0|1,0,0]=2 492 B10R1.348 O=C(O)C1CCCCNC1 MCULE-7795043703 [0,0,0,1,0,0|1,0,0]=2 493 B10R1.348 O=C(O)C1CCCNCC1 MCULE-7690110773 [0,0,0,1,0,0|1,0,0]=2 494 B10R1.348 O=C(O)C1CCCNCC1 MCULE-9766781803 [0,0,0,1,0,0|1,0,0]=2 495 B10R1.348 O=C(O)C1CCCOCC1 MCULE-9318516869 [0,0,0,1,0,0|1,0,0]=2 496 B10R1.348 O=C(O)C1CNCCCN1 MCULE-3558230210 [0,0,0,1,0,0|2,0,0]=3 497 B10R1.348 O=C(O)C1CNCCCN1 MCULE-6835715048 [0,0,0,1,0,0|2,0,0]=3 498 B10R1.348 O=C(O)C1CNCCCO1 MCULE-2282415374 [0,0,0,1,0,0|2,0,0]=3 499 B10R1.348 O=C(O)C1CNCCCO1 MCULE-3064687044 [0,0,0,1,0,0|2,0,0]=3 500 B10R1.348 O=C(O)C1COCCOC1 MCULE-7686530449 [0,0,0,1,0,0|2,0,0]=3 501 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2016813857 [0,0,0,1,0,0|1,0,0]=2 502 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2504826586 [0,0,0,1,0,0|1,0,0]=2 503 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-4939523441 [0,0,0,1,0,0|1,0,0]=2 504 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-8497154031 [0,0,0,1,0,0|1,0,0]=2 505 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-1709248067 [0,0,0,1,0,0|1,0,0]=2 506 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4607599990 [0,0,0,1,0,0|1,0,0]=2 507 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4947785395 [0,0,0,1,0,0|1,0,0]=2 508 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-8502245212 [0,0,0,1,0,0|1,0,0]=2 509 B10R1.348 O=C(O)[C@H]1CCCNCC1 MCULE-2658567129 [0,0,0,1,0,0|1,0,0]=2 510 B10R1.348 S=C(S)N1CCCCCC1 MCULE-9859685126 [0,0,0,1,0,0|1,2,0]=4 511 B10R1.381 C=CCC1(CCC1)C(=O)O MCULE-4876623874 [0,0,0,1,0,0|0,0,2]=3 512 B10R1.381 C=CCC1(CNC1)C(=O)O MCULE-8610429059 [0,0,0,1,0,0|1,0,2]=4 513 B10R1.381 C=CCC1(CNC1)C(=O)O MCULE-9716733656 [0,0,0,1,0,0|1,0,2]=4 514 B10R1.381 CCCC1(CCC1)C(=O)O MCULE-8526884552 [0,0,0,1,0,0|0,0,0]=1 515 B10R1.381 CCOC1(CCC1)C(=O)O MCULE-7740928333 [0,0,0,1,0,0|1,0,0]=2 516 B10R1.381 CCOC1(CNC1)C(=O)O MCULE-4696253234 [0,0,0,1,0,0|2,0,0]=3 517 B10R1.381 CCOC1(CNC1)C(=O)O MCULE-7655133096 [0,0,0,1,0,0|2,0,0]=3 518 B10R1.381 COCC1(CCC1)C(=O)O MCULE-8526778585 [0,0,0,1,0,0|1,0,0]=2 519 B10R1.381 COCC1(CCC1)C(=S)N MCULE-4356294832 [0,0,0,1,0,0|2,1,0]=4 520 B10R1.381 N#CCC1(CCC1)C(=O)O MCULE-1795898166 [0,0,0,1,0,0|1,0,1]=3 521 B10R1.381 NCCC1(CCC1)C(=O)O MCULE-2668268208 [0,0,0,1,0,0|1,0,0]=2 522 B10R1.381 NCCC1(CCC1)C(=O)O MCULE-4514960092 [0,0,0,1,0,0|1,0,0]=2 523 B10R1.381 O=C(O)C1(CCC1)CCF MCULE-9718996460 [0,0,0,1,0,0|1,0,0]=2 524 B10R0.79 C=C(C)CC(CCC)CCC MCULE-7219712799 [0,0,0,0,0,1|2,0,0]=3 525 B10R0.79 CCCC(=CC(=O)O)CCC MCULE-3052769948 [0,0,0,0,0,1|0,0,1]=2 526 B10R0.79 CCCC(CCC)CC(=O)O MCULE-8562449211 [0,0,0,0,0,1|0,0,0]=1 527 B10R0.79 CCCN(CCC)CC(=O)O MCULE-8482027545 [0,0,0,0,0,1|1,0,0]=2 528 B10R0.79 CCOC(CC(=O)C)OCC MCULE-6187658237 [0,0,0,0,0,1|3,0,0]=4 529 B10R0.79 CCOC(CC(=O)O)OCC MCULE-4143416804 [0,0,0,0,0,1|2,0,0]=3 530 B10R0.79 CCOC(OCC)OC(=O)C MCULE-2840084632 [0,0,0,0,0,1|3,0,0]=4 531 B10R0.79 O=C(O)CN(CCO)CCO MCULE-4763691774 [0,0,0,0,0,1|3,0,0]=4 532 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [2,0,0,0,0,0|0,0,2]=4 533 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [2,0,0,0,0,0|0,0,2]=4 534 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [2,0,0,0,0,0|0,0,2]=4 535 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [2,0,0,0,0,0|2,0,0]=4 536 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [2,0,0,0,0,0|2,0,0]=4 537 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [2,0,0,0,0,0|2,0,0]=4 538 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [2,0,0,0,0,0|2,0,0]=4 539 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [2,0,0,0,0,0|1,0,0]=3 540 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [2,0,0,0,0,0|1,0,0]=3 541 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [2,0,0,0,0,0|2,0,0]=4 542 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [2,0,0,0,0,0|1,0,0]=3 543 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [2,0,0,0,0,0|1,0,1]=4 544 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [2,0,0,0,0,0|0,0,2]=4 545 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [2,0,0,0,0,0|0,0,2]=4 546 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [2,0,0,0,0,0|0,0,2]=4 547 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [2,0,0,0,0,0|1,0,1]=4 548 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [2,0,0,0,0,0|2,0,0]=4 549 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [2,0,0,0,0,0|1,0,0]=3 550 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [2,0,0,0,0,0|1,0,0]=3 551 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [2,0,0,0,0,0|1,0,0]=3 552 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [2,0,0,0,0,0|1,0,0]=3 553 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [2,0,0,0,0,0|0,0,0]=2 554 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [2,0,0,0,0,0|1,0,1]=4 555 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [2,0,0,0,0,0|1,0,0]=3 556 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [2,0,0,0,0,0|1,0,0]=3 557 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [2,0,0,0,0,0|2,0,0]=4 558 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [2,0,0,0,0,0|2,0,0]=4 559 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [2,0,0,0,0,0|1,0,0]=3 560 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [2,0,0,0,0,0|1,0,0]=3 561 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [2,0,0,0,0,0|1,0,0]=3 562 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [2,0,0,0,0,0|2,0,0]=4 563 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [2,0,0,0,0,0|1,0,0]=3 564 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [2,0,0,0,0,0|1,0,0]=3 565 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [2,0,0,0,0,0|2,0,0]=4 566 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [2,0,0,0,0,0|1,0,0]=3 567 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [2,0,0,0,0,0|1,0,0]=3 568 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [2,0,0,0,0,0|1,0,0]=3 569 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [2,0,0,0,0,0|1,0,0]=3 570 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [2,0,0,0,0,0|2,0,0]=4 571 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [2,0,0,0,0,0|2,0,0]=4 572 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [2,0,0,0,0,0|2,0,0]=4 573 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [2,0,0,0,0,0|2,0,0]=4 574 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [2,0,0,0,0,0|1,0,0]=3 575 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [2,0,0,0,0,0|1,0,0]=3 576 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [2,0,0,0,0,0|1,0,0]=3 577 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [2,0,0,0,0,0|1,0,0]=3 578 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [2,0,0,0,0,0|1,0,0]=3 579 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [2,0,0,0,0,0|2,0,0]=4 580 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [2,0,0,0,0,0|2,0,0]=4 581 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [2,0,0,0,0,0|1,0,0]=3 582 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [2,0,0,0,0,0|1,0,0]=3 583 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [2,0,0,0,0,0|1,0,0]=3 584 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [2,0,0,0,0,0|1,0,0]=3 585 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [2,0,0,0,0,0|1,0,0]=3 586 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [2,0,0,0,0,0|1,0,0]=3 587 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [2,0,0,0,0,0|1,0,0]=3 588 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [2,0,0,0,0,0|2,0,0]=4 589 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [2,0,0,0,0,0|2,0,0]=4 590 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [2,0,0,0,0,0|2,0,0]=4 591 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [2,0,0,0,0,0|2,0,0]=4 592 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [2,0,0,0,0,0|2,0,0]=4 593 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [2,0,0,0,0,0|2,0,0]=4 594 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [2,0,0,0,0,0|2,0,0]=4 595 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [2,0,0,0,0,0|2,0,0]=4 596 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [2,0,0,0,0,0|1,0,0]=3 597 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [2,0,0,0,0,0|2,0,0]=4 598 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [2,0,0,0,0,0|2,0,0]=4 599 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [2,0,0,0,0,0|2,0,0]=4 600 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [2,0,0,0,0,0|2,0,0]=4 601 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [2,0,0,0,0,0|2,0,0]=4 602 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [2,0,0,0,0,0|2,0,0]=4 603 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [2,0,0,0,0,0|2,0,0]=4 604 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [2,0,0,0,0,0|2,0,0]=4 605 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [2,0,0,0,0,0|2,0,0]=4 606 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [2,0,0,0,0,0|2,0,0]=4 607 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [2,0,0,0,0,0|2,0,0]=4 608 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [2,0,0,0,0,0|2,0,0]=4 609 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [2,0,0,0,0,0|2,0,0]=4 610 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [2,0,0,0,0,0|2,0,0]=4 611 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [2,0,0,0,0,0|1,0,0]=3 612 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [2,0,0,0,0,0|2,0,0]=4 613 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [2,0,0,0,0,0|2,0,0]=4 614 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [2,0,0,0,0,0|2,0,0]=4 615 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [2,0,0,0,0,0|1,0,0]=3 616 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [2,0,0,0,0,0|2,0,0]=4 617 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [2,0,0,0,0,0|2,0,0]=4 618 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [2,0,0,0,0,0|2,0,0]=4 619 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [2,0,0,0,0,0|2,0,0]=4 620 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [2,0,0,0,0,0|2,0,0]=4 621 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [2,0,0,0,0,0|2,0,0]=4 622 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [2,0,0,0,0,0|2,0,0]=4 623 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [2,0,0,0,0,0|2,0,0]=4 624 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [2,0,0,0,0,0|2,0,0]=4 625 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [2,0,0,0,0,0|2,0,0]=4 626 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [2,0,0,0,0,0|2,0,0]=4 627 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [2,0,0,0,0,0|2,0,0]=4 628 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [2,0,0,0,0,0|2,0,0]=4 629 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [2,0,0,0,0,0|2,0,0]=4 630 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [2,0,0,0,0,0|2,0,0]=4 631 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [2,0,0,0,0,0|2,0,0]=4 632 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [2,0,0,0,0,0|2,0,0]=4 633 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [2,0,0,0,0,0|2,0,0]=4 634 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [2,0,0,0,0,0|2,0,0]=4 635 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [2,0,0,0,0,0|2,0,0]=4 636 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [2,0,0,0,0,0|2,0,0]=4 637 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [2,0,0,0,0,0|2,0,0]=4 638 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [2,0,0,0,0,0|2,0,0]=4 639 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [2,0,0,0,0,0|2,0,0]=4 640 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [2,0,0,0,0,0|2,0,0]=4 641 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [2,0,0,0,0,0|2,0,0]=4 642 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [2,0,0,0,0,0|2,0,0]=4 643 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [2,0,0,0,0,0|2,0,0]=4 644 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [2,0,0,0,0,0|2,0,0]=4 645 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [2,0,0,0,0,0|2,0,0]=4 646 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [2,0,0,0,0,0|2,0,0]=4 647 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [2,0,0,0,0,0|2,0,0]=4 648 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [2,0,0,0,0,0|2,0,0]=4 649 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [2,0,0,0,0,0|2,0,0]=4 650 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [2,0,0,0,0,0|2,0,0]=4 651 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [2,0,0,0,0,0|2,0,0]=4 652 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [2,0,0,0,0,0|2,0,0]=4 653 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [2,0,0,0,0,0|2,0,0]=4 654 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [2,0,0,0,0,0|2,0,0]=4 655 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [2,0,0,0,0,0|2,0,0]=4 656 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [2,0,0,0,0,0|2,0,0]=4 657 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [2,0,0,0,0,0|2,0,0]=4 658 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [2,0,0,0,0,0|2,0,0]=4 659 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [2,0,0,0,0,0|2,0,0]=4 660 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [2,0,0,0,0,0|2,0,0]=4 661 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [2,0,0,0,0,0|2,0,0]=4 662 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [2,0,0,0,0,0|2,0,0]=4 663 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [2,0,0,0,0,0|2,0,0]=4 664 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [2,0,0,0,0,0|2,0,0]=4 665 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [2,0,0,0,0,0|2,0,0]=4 666 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [2,0,0,0,0,0|2,0,0]=4 667 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [2,0,0,0,0,0|2,0,0]=4 668 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [2,0,0,0,0,0|2,0,0]=4 669 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [2,0,0,0,0,0|2,0,0]=4 670 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [2,0,0,0,0,0|2,0,0]=4 671 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [2,0,0,0,0,0|2,0,0]=4 672 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [2,0,0,0,0,0|2,0,0]=4 673 B7R0.12 CCCC(CO)CO MCULE-2372919180 [2,0,0,0,0,0|1,0,1]=4 674 B7R0.12 CCCC(CO)OC MCULE-9427398002 [2,0,0,0,0,0|1,0,1]=4 675 B7R0.12 CCNC(CC)CO MCULE-2240229411 [2,0,0,0,0,0|1,0,1]=4 676 B7R0.12 CCN[C@@H](CC)CO MCULE-3793090402 [2,0,0,0,0,0|1,0,1]=4 677 B7R0.12 CCN[C@@H](CC)CO MCULE-7960570694 [2,0,0,0,0,0|1,0,1]=4 678 B7R0.15 C=C(C)C(CC)CC MCULE-2424136176 [2,0,0,0,0,0|2,0,0]=4 679 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [2,0,0,0,0,0|0,0,2]=4 680 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [2,0,0,0,0,0|1,0,1]=4 681 B7R0.15 CCC(CC)C(=O)C MCULE-5291760485 [2,0,0,0,0,0|1,0,0]=3 682 B7R0.15 CCC(CC)C(=O)Cl MCULE-1027070009 [2,0,0,0,0,0|1,0,0]=3 683 B7R0.15 CCC(CC)C(=O)N MCULE-7337294425 [2,0,0,0,0,0|1,0,0]=3 684 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [2,0,0,0,0,0|0,0,0]=2 685 B7R0.15 CCC(CC)C(=S)N MCULE-8027076934 [2,0,0,0,0,0|1,1,0]=4 686 B7R0.15 CCC(CC)C(C)O MCULE-9742014522 [2,0,0,0,0,0|1,0,1]=4 687 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [2,0,0,0,0,0|1,0,0]=3 688 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [2,0,0,0,0,0|1,0,0]=3 689 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [2,0,0,0,0,0|1,0,0]=3 690 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [2,0,0,0,0,0|1,0,1]=4 691 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [2,0,0,0,0,0|2,0,0]=4 692 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [2,0,0,0,0,0|2,0,0]=4 693 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [2,0,0,0,0,0|1,0,0]=3 694 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [2,0,0,0,0,0|1,0,0]=3 695 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [2,0,0,0,0,0|2,0,0]=4 696 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [2,0,0,0,0,0|2,0,0]=4 697 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [2,0,0,0,0,0|2,0,0]=4 698 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [2,0,0,0,0,0|1,0,0]=3 699 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [2,0,0,0,0,0|1,0,0]=3 700 B7R0.15 CCN(CC)C(=O)C MCULE-6584128098 [2,0,0,0,0,0|2,0,0]=4 701 B7R0.15 CCN(CC)C(=O)Cl MCULE-2162985195 [2,0,0,0,0,0|2,0,0]=4 702 B7R0.15 CCN(CC)C(=O)N MCULE-7011051295 [2,0,0,0,0,0|2,0,0]=4 703 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [2,0,0,0,0,0|1,0,0]=3 704 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [2,0,0,0,0,0|1,0,0]=3 705 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [2,0,0,0,0,0|1,0,0]=3 706 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [2,0,0,0,0,0|1,0,0]=3 707 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [2,0,0,0,0,0|1,0,0]=3 708 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [2,0,0,0,0,0|1,0,0]=3 709 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [2,0,0,0,0,0|2,0,0]=4 710 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [2,0,0,0,0,0|2,0,0]=4 711 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [2,0,0,0,0,0|2,0,0]=4 712 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [2,0,0,0,0,0|2,0,0]=4 713 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [2,0,0,0,0,0|2,0,0]=4 714 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [2,0,0,0,0,0|2,0,0]=4 715 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [2,0,0,0,0,0|2,0,0]=4 716 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [2,0,0,0,0,0|2,0,0]=4 717 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [2,0,0,0,0,0|2,0,0]=4 718 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [2,0,0,0,0,0|2,0,0]=4 719 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [2,0,0,0,0,0|2,0,0]=4 720 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [2,0,0,0,0,0|2,0,0]=4 721 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [2,0,0,0,0,0|2,0,0]=4 722 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [2,0,0,0,0,0|2,0,0]=4 723 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [2,0,0,0,0,0|2,0,0]=4 724 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [2,0,0,0,0,0|2,0,0]=4 725 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [2,0,0,0,0,0|2,0,0]=4 726 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [2,0,0,0,0,0|2,0,0]=4 727 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [2,0,0,0,0,0|2,0,0]=4 728 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [2,0,0,0,0,0|2,0,0]=4 729 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [2,0,0,0,0,0|2,0,0]=4 730 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [2,0,0,0,0,0|2,0,0]=4 731 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [2,0,0,0,0,0|2,0,0]=4 732 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [2,0,0,0,0,0|2,0,0]=4 733 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [2,0,0,0,0,0|2,0,0]=4 734 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [2,0,0,0,0,0|2,0,0]=4 735 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [2,0,0,0,0,0|2,0,0]=4 736 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [2,0,0,0,0,0|2,0,0]=4 737 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [2,0,0,0,0,0|2,0,0]=4 738 B7R0.15 O=C(O)C(CBr)CBr MCULE-5180730979 [2,0,0,0,0,0|2,0,0]=4 739 B7R0.15 O=C(O)C(CS)CS MCULE-3175815620 [2,0,0,0,0,0|2,0,0]=4 740 B7R0.7 C=C(CCC)CCO MCULE-1774943854 [2,0,0,0,0,0|1,0,1]=4 741 B7R0.7 C=CCC(O)CCC MCULE-4006607391 [2,0,0,0,0,0|0,0,2]=4 742 B7R0.7 CC=CC(O)CCC MCULE-2375824505 [2,0,0,0,0,0|0,0,2]=4 743 B7R0.7 CCCC(=O)CCC MCULE-1621649928 [2,0,0,0,0,0|0,0,1]=3 744 B7R0.7 CCCC(=O)OCC MCULE-9977024136 [2,0,0,0,0,0|1,0,1]=4 745 B7R0.7 CCCC(Br)CCBr MCULE-7954993658 [2,0,0,0,0,0|2,0,0]=4 746 B7R0.7 CCCC(Br)CCC MCULE-4124374663 [2,0,0,0,0,0|1,0,0]=3 747 B7R0.7 CCCC(C)CCC MCULE-5291190768 [2,0,0,0,0,0|0,0,1]=3 748 B7R0.7 CCCC(C)CCO MCULE-6887128167 [2,0,0,0,0,0|1,0,1]=4 749 B7R0.7 CCCC(C)NCC MCULE-3443551812 [2,0,0,0,0,0|1,0,1]=4 750 B7R0.7 CCCC(C)NCC MCULE-7227087576 [2,0,0,0,0,0|1,0,1]=4 751 B7R0.7 CCCC(C)OCC MCULE-2678814077 [2,0,0,0,0,0|1,0,1]=4 752 B7R0.7 CCCC(N)CCC MCULE-1003038397 [2,0,0,0,0,0|1,0,0]=3 753 B7R0.7 CCCC(N)CCC MCULE-3454953409 [2,0,0,0,0,0|1,0,0]=3 754 B7R0.7 CCCC(N)CCO MCULE-3641094890 [2,0,0,0,0,0|2,0,0]=4 755 B7R0.7 CCCC(N)CCO MCULE-5323991138 [2,0,0,0,0,0|2,0,0]=4 756 B7R0.7 CCCC(N)CCO MCULE-6597027417 [2,0,0,0,0,0|2,0,0]=4 757 B7R0.7 CCCC(N)CCO MCULE-8093709628 [2,0,0,0,0,0|2,0,0]=4 758 B7R0.7 CCCC(O)CCC MCULE-1942797307 [2,0,0,0,0,0|0,0,0]=2 759 B7R0.7 CCCC(O)CCN MCULE-3796998426 [2,0,0,0,0,0|1,0,0]=3 760 B7R0.7 CCCC(O)CCO MCULE-6957178966 [2,0,0,0,0,0|1,0,0]=3 761 B7R0.7 CCCC(S)CCC MCULE-4775274873 [2,0,0,0,0,0|0,1,0]=3 762 B7R0.7 CCCC(S)CCO MCULE-7972451905 [2,0,0,0,0,0|1,1,0]=4 763 B7R0.7 CCCN(C)CCC MCULE-9743961087 [2,0,0,0,0,0|1,0,1]=4 764 B7R0.7 CCC[C@@H](N)CCO MCULE-1862127512 [2,0,0,0,0,0|2,0,0]=4 765 B7R0.7 CCC[C@@H](N)CCO MCULE-3031366486 [2,0,0,0,0,0|2,0,0]=4 766 B7R0.7 CCC[C@@H](N)CCO MCULE-4433535200 [2,0,0,0,0,0|2,0,0]=4 767 B7R0.7 CCC[C@@H](N)CCO MCULE-8325506694 [2,0,0,0,0,0|2,0,0]=4 768 B7R0.7 CCC[C@H](N)CCO MCULE-3164100995 [2,0,0,0,0,0|2,0,0]=4 769 B7R0.7 CCC[C@H](N)CCO MCULE-3262978007 [2,0,0,0,0,0|2,0,0]=4 770 B7R0.7 CCC[C@H](N)CCO MCULE-3382311889 [2,0,0,0,0,0|2,0,0]=4 771 B7R0.7 CCC[C@H](N)CCO MCULE-4865013919 [2,0,0,0,0,0|2,0,0]=4 772 B7R0.7 CNCC(O)CNC MCULE-3978089543 [2,0,0,0,0,0|2,0,0]=4 773 B7R0.7 CNCC(O)COC MCULE-8497493216 [2,0,0,0,0,0|2,0,0]=4 774 B7R0.7 COCC(O)CCN MCULE-9524454931 [2,0,0,0,0,0|2,0,0]=4 775 B7R0.7 COCC(O)COC MCULE-5364514636 [2,0,0,0,0,0|2,0,0]=4 776 B7R0.7 OCCC(O)CCO MCULE-1162803524 [2,0,0,0,0,0|2,0,0]=4 777 B9R0.12 C#CCC(CC)C(=O)OC MCULE-6135533940 [1,1,0,0,0,0|0,0,2]=4 778 B9R0.12 CCCC(NC)C(=O)OC MCULE-1157341941 [1,1,0,0,0,0|1,0,0]=3 779 B9R0.12 CCOC(CBr)C(=O)OC MCULE-6666693930 [1,1,0,0,0,0|2,0,0]=4 780 B9R0.12 CCOC(CC)C(=O)NN MCULE-7464188870 [1,1,0,0,0,0|2,0,0]=4 781 B9R0.12 CCOC(CC)C(=O)NN MCULE-9312385491 [1,1,0,0,0,0|2,0,0]=4 782 B9R0.12 CNC(CCN)C(=O)OC MCULE-7848551324 [1,1,0,0,0,0|2,0,0]=4 783 B9R0.12 CNC(COC)C(=O)OC MCULE-6909479011 [1,1,0,0,0,0|2,0,0]=4 784 B9R0.12 COC(=O)C(CCN)OC MCULE-4716419095 [1,1,0,0,0,0|2,0,0]=4 785 B9R0.12 COCC(OC)C(=O)OC MCULE-3132961231 [1,1,0,0,0,0|2,0,0]=4 786 B9R0.13 C#CCOC(CC)C(=O)O MCULE-8164573220 [1,1,0,0,0,0|0,0,2]=4 787 B9R0.13 C=CCCC(CC)C(=O)O MCULE-6019823383 [1,1,0,0,0,0|0,0,1]=3 788 B9R0.13 CCC(CCOC)C(=O)O MCULE-9329790915 [1,1,0,0,0,0|0,0,0]=2 789 B9R0.13 CCC(OCCO)C(=O)O MCULE-6934668694 [1,1,0,0,0,0|1,0,0]=3 790 B9R0.13 CCCC=C(CC)C(=O)O MCULE-2193027210 [1,1,0,0,0,0|0,0,1]=3 791 B9R0.13 CCCCC(CC)C(=O)C MCULE-6594996935 [1,1,0,0,0,0|1,0,0]=3 792 B9R0.13 CCCCC(CC)C(=O)Cl MCULE-5129133966 [1,1,0,0,0,0|1,0,0]=3 793 B9R0.13 CCCCC(CC)C(=O)N MCULE-6741704780 [1,1,0,0,0,0|1,0,0]=3 794 B9R0.13 CCCCC(CC)C(=O)O MCULE-5686478683 [1,1,0,0,0,0|0,0,0]=2 795 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6405828438 [1,1,0,0,0,0|0,0,1]=3 796 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6841285360 [1,1,0,0,0,0|0,0,1]=3 797 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-9345456808 [1,1,0,0,0,0|0,0,1]=3 798 B9R0.13 CCCCC(CC)C(C)O MCULE-1362746509 [1,1,0,0,0,0|1,0,1]=4 799 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [1,1,0,0,0,0|1,0,0]=3 800 B9R0.13 CCCCC(CO)C(=O)C MCULE-8991511326 [1,1,0,0,0,0|2,0,0]=4 801 B9R0.13 CCCCC(CO)C(=O)O MCULE-7586035948 [1,1,0,0,0,0|1,0,0]=3 802 B9R0.13 CCCCC(NC)C(=O)N MCULE-5960268514 [1,1,0,0,0,0|2,0,0]=4 803 B9R0.13 CCCCC(NC)C(=O)O MCULE-1290797295 [1,1,0,0,0,0|1,0,0]=3 804 B9R0.13 CCCCC(OC)C(=O)O MCULE-4251070702 [1,1,0,0,0,0|1,0,0]=3 805 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-3017621334 [1,1,0,0,0,0|0,0,0]=2 806 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-9782965208 [1,1,0,0,0,0|0,0,0]=2 807 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [1,1,0,0,0,0|1,0,0]=3 808 B9R0.13 CCCC[C@@H](CO)C(=O)O MCULE-4035754044 [1,1,0,0,0,0|1,0,0]=3 809 B9R0.13 CCCC[C@H](CC)C(=O)O MCULE-7435371149 [1,1,0,0,0,0|0,0,0]=2 810 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [1,1,0,0,0,0|1,0,0]=3 811 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-1956509117 [1,1,0,0,0,0|1,0,0]=3 812 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-3776577040 [1,1,0,0,0,0|1,0,0]=3 813 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-2734051077 [1,1,0,0,0,0|1,0,0]=3 814 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-3251368399 [1,1,0,0,0,0|1,0,0]=3 815 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-5821422660 [1,1,0,0,0,0|1,0,0]=3 816 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-6933942099 [1,1,0,0,0,0|1,0,0]=3 817 B9R0.13 CCCOC(CC)C(=O)N MCULE-3706906733 [1,1,0,0,0,0|1,0,0]=3 818 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-3425842174 [1,1,0,0,0,0|1,0,0]=3 819 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-5957010617 [1,1,0,0,0,0|1,0,0]=3 820 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-4656254779 [1,1,0,0,0,0|1,0,0]=3 821 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-9180929954 [1,1,0,0,0,0|1,0,0]=3 822 B9R0.13 COC(CCSC)C(=O)O MCULE-2968161259 [1,1,0,0,0,0|1,0,0]=3 823 B9R0.13 CSCCC(N=[Se])C(=O)O MCULE-9506566313 [1,1,0,0,0,0|2,0,0]=4 824 B9R0.29 CCC(C(=O)O)C(=O)OC MCULE-1272120302 [1,1,0,0,0,0|1,0,1]=4 825 B9R0.29 CCC(C(=O)O)N(C)CC MCULE-1956799237 [1,1,0,0,0,0|1,0,0]=3 826 B9R0.29 CCC(C)C(CC)C(=O)N MCULE-4344033333 [1,1,0,0,0,0|1,0,0]=3 827 B9R0.29 CCC(C)C(NC)C(=O)O MCULE-1957885665 [1,1,0,0,0,0|1,0,0]=3 828 B9R0.29 CCC(C)C(OC)C(=O)O MCULE-7966384544 [1,1,0,0,0,0|1,0,0]=3 829 B9R0.29 CC[C@@H](C)[C@H](NC)C(=O)O MCULE-8364477291 [1,1,0,0,0,0|1,0,0]=3 830 B9R0.29 CC[C@H](C)[C@@H](CC)C(=O)N MCULE-3247505890 [1,1,0,0,0,0|1,0,0]=3 831 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O MCULE-6136891317 [1,1,0,0,0,0|1,0,0]=3 832 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-1871065287 [1,1,0,0,0,0|1,0,0]=3 833 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-3891615565 [1,1,0,0,0,0|1,0,0]=3 834 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-9489341112 [1,1,0,0,0,0|1,0,0]=3 835 B9R0.29 COC(C)C(OC)C(=O)O MCULE-8500320405 [1,1,0,0,0,0|2,0,0]=4 836 B9R0.29 [C@H](C)(CC)[C@H](NC)C(=O)O MCULE-1663789159 [1,1,0,0,0,0|1,0,0]=3 837 B9R0.33 C=CCC(C(=O)O)C(C)C MCULE-6557819980 [1,1,0,0,0,0|0,0,2]=4 838 B9R0.33 CC(C)C(CCN)C(=O)O MCULE-5177043751 [1,1,0,0,0,0|1,0,0]=3 839 B9R0.33 CC(C)C(CCN)C(=O)O MCULE-7075545898 [1,1,0,0,0,0|1,0,0]=3 840 B9R0.33 CCCC(C(=O)N)N(C)C MCULE-4951647411 [1,1,0,0,0,0|2,0,0]=4 841 B9R0.33 CCCC(C(=O)O)C(=O)O MCULE-5699074158 [1,1,0,0,0,0|1,0,1]=4 842 B9R0.33 CCCC(C(=O)O)C(C)C MCULE-9298455866 [1,1,0,0,0,0|0,0,0]=2 843 B9R0.33 CCCC(C(=O)O)N(C)C MCULE-1361270877 [1,1,0,0,0,0|1,0,0]=3 844 B9R0.33 CCC[C@@H](C(=O)O)N(C)C MCULE-5821588618 [1,1,0,0,0,0|1,0,0]=3 845 B9R0.33 CCC[C@@H](C(=O)O)N(C)C MCULE-6045614611 [1,1,0,0,0,0|1,0,0]=3 846 B9R0.33 CCC[C@H](C(=O)O)N(C)C MCULE-3627937276 [1,1,0,0,0,0|1,0,0]=3 847 B9R0.33 CCC[C@H](C(=O)O)N(C)C MCULE-6264285545 [1,1,0,0,0,0|1,0,0]=3 848 B9R0.33 CCNC(C(=O)O)C(C)C MCULE-2742420034 [1,1,0,0,0,0|1,0,0]=3 849 B9R0.33 CCNC(C(=O)O)C(C)C MCULE-6750636271 [1,1,0,0,0,0|1,0,0]=3 850 B9R0.33 CCN[C@H](C(=O)N)C(C)C MCULE-9689603957 [1,1,0,0,0,0|2,0,0]=4 851 B9R0.33 CCOC(C(=O)O)C(C)C MCULE-7127552205 [1,1,0,0,0,0|1,0,0]=3 852 B9R0.33 CCSC(C(=O)O)C(C)C MCULE-3558131875 [1,1,0,0,0,0|1,0,0]=3 853 B9R0.33 CN(C)C(CCN)C(=O)O MCULE-8339128470 [1,1,0,0,0,0|2,0,0]=4 854 B9R0.33 CN(C)[C@@H](CCN)C(=O)O MCULE-1062850066 [1,1,0,0,0,0|2,0,0]=4 855 B9R0.33 CN(C)[C@@H](CCN)C(=O)O MCULE-3495896981 [1,1,0,0,0,0|2,0,0]=4 856 B9R0.33 CN(C)[C@@H](CCO)C(=O)O MCULE-5311348966 [1,1,0,0,0,0|2,0,0]=4 857 B9R0.33 COCC(C(=O)O)N(C)C MCULE-4810605036 [1,1,0,0,0,0|2,0,0]=4 858 B9R0.33 COCC(C(=O)O)N(C)C MCULE-7502849046 [1,1,0,0,0,0|2,0,0]=4 859 B9R0.39 CC(C)CC(C#N)C(=O)O MCULE-2645522679 [1,1,0,0,0,0|1,0,1]=4 860 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-3679366313 [1,1,0,0,0,0|1,0,0]=3 861 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-4357118038 [1,1,0,0,0,0|1,0,0]=3 862 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-5464779902 [1,1,0,0,0,0|1,0,0]=3 863 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-1199418849 [1,1,0,0,0,0|1,0,0]=3 864 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-2007636867 [1,1,0,0,0,0|1,0,0]=3 865 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-3151357434 [1,1,0,0,0,0|1,0,0]=3 866 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-6826376648 [1,1,0,0,0,0|1,0,0]=3 867 B9R0.39 CC(C)C[C@@H](CO)C(=O)O MCULE-8614733501 [1,1,0,0,0,0|1,0,0]=3 868 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-1897946062 [1,1,0,0,0,0|1,0,0]=3 869 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5204739284 [1,1,0,0,0,0|1,0,0]=3 870 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5587093761 [1,1,0,0,0,0|1,0,0]=3 871 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-6247275234 [1,1,0,0,0,0|1,0,0]=3 872 B9R0.39 CC(C)C[C@H](CO)C(=O)O MCULE-3078607450 [1,1,0,0,0,0|1,0,0]=3 873 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [1,1,0,0,0,0|1,0,1]=4 874 B9R0.39 CCC(CC(C)C)C(=O)O MCULE-5215518236 [1,1,0,0,0,0|0,0,0]=2 875 B9R0.39 CCC(CC(F)F)C(=O)O MCULE-2440123997 [1,1,0,0,0,0|1,0,0]=3 876 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-1309294109 [1,1,0,0,0,0|1,0,1]=4 877 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-9698129539 [1,1,0,0,0,0|1,0,1]=4 878 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7235932783 [1,1,0,0,0,0|1,0,0]=3 879 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7934342287 [1,1,0,0,0,0|1,0,0]=3 880 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-4606830483 [1,1,0,0,0,0|1,0,1]=4 881 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-7396715663 [1,1,0,0,0,0|1,0,1]=4 882 B9R0.39 CNC(CC(C)C)C(=O)O MCULE-4940999271 [1,1,0,0,0,0|1,0,0]=3 883 B9R0.39 CNC(CC(C)C)C(=O)O MCULE-7266045564 [1,1,0,0,0,0|1,0,0]=3 884 B9R0.39 CN[C@@H](CC(C)C)C(=O)N MCULE-7907533997 [1,1,0,0,0,0|2,0,0]=4 885 B9R0.39 CN[C@@H](CC(C)C)C(=O)N MCULE-8591020499 [1,1,0,0,0,0|2,0,0]=4 886 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-2758691344 [1,1,0,0,0,0|1,0,0]=3 887 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-3349649810 [1,1,0,0,0,0|1,0,0]=3 888 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-4487326533 [1,1,0,0,0,0|1,0,0]=3 889 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-7740057854 [1,1,0,0,0,0|1,0,0]=3 890 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2279011654 [1,1,0,0,0,0|1,0,0]=3 891 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2290136385 [1,1,0,0,0,0|1,0,0]=3 892 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2552934491 [1,1,0,0,0,0|1,0,0]=3 893 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-8319051174 [1,1,0,0,0,0|1,0,0]=3 894 B9R0.39 COC(CC(C)C)C(=O)O MCULE-4497994493 [1,1,0,0,0,0|1,0,0]=3 895 B9R0.74 CCC(N)(COC)C(=O)O MCULE-1112258412 [1,1,0,0,0,0|1,0,0]=3 896 B9R0.74 CCC(N)(COC)C(=O)O MCULE-3146530110 [1,1,0,0,0,0|1,0,0]=3 897 B9R0.74 CCCC(C)(CC)C(=O)C MCULE-3275508969 [1,1,0,0,0,0|1,0,0]=3 898 B9R0.74 CCCC(C)(CC)C(=O)O MCULE-2557760328 [1,1,0,0,0,0|0,0,0]=2 899 B9R0.74 CCCC(N)(CC)C(=O)O MCULE-2758260935 [1,1,0,0,0,0|0,0,0]=2 900 B9R0.74 CCCC(N)(CC)C(=O)O MCULE-6297600490 [1,1,0,0,0,0|0,0,0]=2 901 B9R0.74 CNC(C)(COC)C(=O)O MCULE-1951800408 [1,1,0,0,0,0|2,0,0]=4 902 B9R0.74 CNC(C)(COC)C(=O)O MCULE-6037506715 [1,1,0,0,0,0|2,0,0]=4 903 B9R0.74 COCC(C)(OC)C(=O)O MCULE-5307101549 [1,1,0,0,0,0|2,0,0]=4 904 B9R0.17 C=CCC(CCC)CCC MCULE-6512888381 [1,1,0,0,0,0|1,0,0]=3 905 B9R0.17 CCOC(CC=O)OCC MCULE-1662670608 [1,1,0,0,0,0|2,0,0]=4 906 B9R0.40 CCCCC(C=O)CCC MCULE-8456289921 [1,1,0,0,0,0|0,0,0]=2 907 B9R0.40 CCCCC(CN)CCC MCULE-6624177155 [1,1,0,0,0,0|1,0,1]=4 908 B9R0.59 CCCC(N)(C#N)CCC MCULE-8592393468 [1,1,0,0,0,0|1,0,1]=4 909 B9R0.59 CCCC(O)(CN)CCC MCULE-4409676666 [1,1,0,0,0,0|1,0,1]=4 910 B11R0.35 CCCC(CC(=O)O)CC(=O)O MCULE-6540318880 [0,1,0,0,0,1|1,0,1]=4 911 B11R0.98 CCCN(CCC)C(C)C(=O)O MCULE-3569151704 [0,1,0,0,0,1|1,0,0]=3 912 B11R0.98 CCCN(CCC)[C@@H](C)C(=O)O MCULE-7555412277 [0,1,0,0,0,1|1,0,0]=3 913 B11R0.279 CCCN(CCC)CC(=O)NN MCULE-5940311810 [0,1,0,0,0,1|2,0,0]=4 914 B11R0.352 CCCC(O)(CCC)CC(=O)O MCULE-8726903905 [0,1,0,0,0,1|0,0,0]=2 915 B11R0.32 CC(=O)C(CC(C)C)CN(C)C MCULE-2100881066 [0,2,0,0,0,0|2,0,0]=4 916 B11R0.32 CC(=O)NC(CC(C)C)C(=O)O MCULE-7375828849 [0,2,0,0,0,0|1,0,1]=4 917 B11R0.32 CC(=O)NC(CC(C)C)C(=O)O MCULE-8541961335 [0,2,0,0,0,0|1,0,1]=4 918 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)O MCULE-3541053611 [0,2,0,0,0,0|1,0,1]=4 919 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)O MCULE-9082534218 [0,2,0,0,0,0|1,0,1]=4 920 B11R0.32 CC(=O)N[C@H](CC(C)C)C(=O)O MCULE-8998784853 [0,2,0,0,0,0|1,0,1]=4 921 B11R0.32 CC(=O)S[C@@H](CC(C)C)C(=O)O MCULE-8202562834 [0,2,0,0,0,0|1,0,1]=4 922 B11R0.32 CC(C)CC(CC(=O)O)C(=O)O MCULE-4610463681 [0,2,0,0,0,0|1,0,1]=4 923 B11R0.32 CC(C)CC(CC(C)C)C(=O)O MCULE-8986413010 [0,2,0,0,0,0|0,0,0]=2 924 B11R0.32 CC(C)C[C@H](NC(C)C)C(=O)O MCULE-8416697546 [0,2,0,0,0,0|1,0,0]=3 925 B11R0.32 [C@H](CC(C)C)(NC(=O)C)C(=O)O MCULE-9509726558 [0,2,0,0,0,0|1,0,1]=4 926 B11R0.115 CCC(C)C(NC(=O)C)C(=O)O MCULE-4181667774 [0,2,0,0,0,0|1,0,1]=4 927 B11R0.115 CC[C@H](C)[C@@H](NC(=O)C)C(=O)O MCULE-5204918668 [0,2,0,0,0,0|1,0,1]=4 928 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-1874701839 [0,2,0,0,0,0|1,0,1]=4 929 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-2741794137 [0,2,0,0,0,0|1,0,1]=4 930 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-6557323131 [0,2,0,0,0,0|1,0,1]=4 931 B11R0.115 [C@@H](C)(CC)[C@@H](NC(=O)C)C(=O)O MCULE-5237529088 [0,2,0,0,0,0|1,0,1]=4 932 B11R0.115 [C@@H](NC(=O)C)(C(=O)O)C(C)CC MCULE-8702697039 [0,2,0,0,0,0|1,0,1]=4 933 B11R0.115 [C@H](C)(CC)[C@@H](NC(=O)C)C(=O)O MCULE-2360572915 [0,2,0,0,0,0|1,0,1]=4 934 B11R0.160 C=CCCC(CC(C)C)C(=O)O MCULE-5690484976 [0,2,0,0,0,0|0,0,1]=3 935 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O MCULE-1427956391 [0,2,0,0,0,0|1,0,1]=4 936 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O MCULE-1647417475 [0,2,0,0,0,0|1,0,1]=4 937 B11R0.160 CCCCC(CC(=O)O)C(=O)O MCULE-6663725829 [0,2,0,0,0,0|1,0,1]=4 938 B11R0.160 CCCCC(NC(=O)C)C(=O)O MCULE-1796227277 [0,2,0,0,0,0|1,0,1]=4 939 B11R0.160 CCCCC(NC(=O)C)C(=O)O MCULE-2709462387 [0,2,0,0,0,0|1,0,1]=4 940 B11R0.160 CCCC[C@@H](NC(=O)C)C(=O)O MCULE-5788818981 [0,2,0,0,0,0|1,0,1]=4 941 B11R0.160 CCCC[C@@H](NC(=O)C)C(=O)O MCULE-8915739057 [0,2,0,0,0,0|1,0,1]=4 942 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)O MCULE-3651693998 [0,2,0,0,0,0|1,0,1]=4 943 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)O MCULE-4560203101 [0,2,0,0,0,0|1,0,1]=4 944 B11R0.160 CCSCC(NC(=O)C)C(=O)O MCULE-9115578925 [0,2,0,0,0,0|1,0,1]=4 945 B11R0.160 CCSC[C@H](NC(=O)C)C(=O)O MCULE-5694706376 [0,2,0,0,0,0|1,0,1]=4 946 B11R0.160 COCCC(NC(=O)C)C(=O)O MCULE-9296272594 [0,2,0,0,0,0|1,0,1]=4 947 B11R0.160 CSCCC(NC(=O)C)C(=O)O MCULE-6118079123 [0,2,0,0,0,0|1,0,1]=4 948 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)O MCULE-3164935915 [0,2,0,0,0,0|1,0,1]=4 949 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)O MCULE-9459431743 [0,2,0,0,0,0|1,0,1]=4 950 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)O MCULE-8710138272 [0,2,0,0,0,0|1,0,1]=4 951 B11R0.160 [C@@H](CCSC)(NC(=O)C)C(=O)O MCULE-5012891970 [0,2,0,0,0,0|1,0,1]=4 952 B11R0.236 CCCC(NC(=O)CCl)C(=O)O MCULE-4178827028 [0,2,0,0,0,0|1,0,1]=4 953 B11R0.236 CCCC(NC(=O)CN)C(=O)O MCULE-3680152818 [0,2,0,0,0,0|1,0,1]=4 954 B11R0.236 CCC[C@H](NC(=O)CCl)C(=O)O MCULE-2223443521 [0,2,0,0,0,0|1,0,1]=4 955 B11R0.41 CCCC(C(=O)OC)C(=O)OC MCULE-5750545517 [0,2,0,0,0,0|1,0,1]=4 956 B11R0.57 CCCC(C(=O)C)C(=O)OCC MCULE-3292264270 [0,2,0,0,0,0|1,0,1]=4 957 B11R0.138 CCN(CC)C(CCN)C(=O)O MCULE-7612446349 [0,2,0,0,0,0|2,0,0]=4 958 B11R0.38 CCCN(CCCN)N(O)N=O MCULE-7745284550 [0,2,0,0,0,0|2,0,0]=4 959 B11R0.61 CCCC(CCC)C(=O)NCO MCULE-5154571004 [0,2,0,0,0,0|0,0,0]=2 960 B11R0.61 CCCC(CCC)C(=O)OCC MCULE-7740461096 [0,2,0,0,0,0|0,0,0]=2 961 B11R0.61 CCCC(CCC)C(=O)OCCl MCULE-4391883226 [0,2,0,0,0,0|0,0,0]=2 962 B11R0.61 CCCN(CCC)C(=O)CCN MCULE-3334906356 [0,2,0,0,0,0|2,0,0]=4 963 B11R0.61 CCCN(CCC)C(=O)CCN MCULE-6020239976 [0,2,0,0,0,0|2,0,0]=4 964 B11R0.61 CCCN(CCC)C(=O)CNC MCULE-1385752844 [0,2,0,0,0,0|2,0,0]=4 965 B11R0.61 CCCN(CCC)C(=O)CNC MCULE-5421050909 [0,2,0,0,0,0|2,0,0]=4 966 B11R0.61 CCCN(CCC)C(=O)SCC MCULE-9678743794 [0,2,0,0,0,0|1,1,0]=4 967 B11R0.61 CCOC(=O)C(OCC)OCC MCULE-6549366247 [0,2,0,0,0,0|2,0,0]=4 968 B11R0.36 CCCCC(CCCC)C(=O)C MCULE-3060200320 [0,2,0,0,0,0|1,0,0]=3 969 B11R0.36 CCCCC(CCCC)C(=O)O MCULE-5435336580 [0,2,0,0,0,0|0,0,0]=2 970 B11R0.36 CCCCN(CCCC)C(=O)C MCULE-8153531536 [0,2,0,0,0,0|2,0,0]=4 971 B11R0.36 CCCCN(CCCC)C(=O)Cl MCULE-2612537679 [0,2,0,0,0,0|2,0,0]=4 972 B11R0.36 CCCCN(CCCC)C(=O)N MCULE-1969014628 [0,2,0,0,0,0|2,0,0]=4 973 B11R0.78 CCCC(CCCCN)C(=O)O MCULE-1663275054 [0,2,0,0,0,0|0,0,0]=2 974 B11R0.78 CCCC(CCCCN)C(=O)O MCULE-1979773774 [0,2,0,0,0,0|0,0,0]=2 975 B11R0.78 CCCCCC(CCC)C(=O)O MCULE-5222815142 [0,2,0,0,0,0|0,0,0]=2 976 B11R0.146 CCCC(=CCC(C)C)C(=O)O MCULE-2326280646 [0,2,0,0,0,0|0,0,1]=3 977 B11R0.146 CCCC(CCC(=O)C)C(=O)O MCULE-7919400845 [0,2,0,0,0,0|0,0,0]=2 978 B11R0.146 CCCC(CCC(=O)O)C(=O)C MCULE-2427095523 [0,2,0,0,0,0|1,0,1]=4 979 B11R0.146 [C@@H](CCC(=O)N)(NCC)C(=O)O MCULE-6210892228 [0,2,0,0,0,0|1,0,1]=4 980 B9R1.6 C1(CC=CCC1)C(=O)O MCULE-7139174666 [1,0,0,1,0,0|0,0,2]=4 981 B9R1.6 C1(CCCNC1)C(=O)N MCULE-1974021716 [1,0,0,1,0,0|2,0,0]=4 982 B9R1.6 C1(CCCNC1)C(=O)N MCULE-3484822743 [1,0,0,1,0,0|2,0,0]=4 983 B9R1.6 C1(CCCNC1)C(=O)O MCULE-5804171064 [1,0,0,1,0,0|1,0,0]=3 984 B9R1.6 C1(CNCCN1)C(=O)O MCULE-2145678876 [1,0,0,1,0,0|2,0,0]=4 985 B9R1.6 C1(CNCCN1)C(=O)O MCULE-9477513225 [1,0,0,1,0,0|2,0,0]=4 986 B9R1.6 C1(COCCN1)C(=O)O MCULE-7653061162 [1,0,0,1,0,0|2,0,0]=4 987 B9R1.6 C1(COCCN1)C(=O)O MCULE-8375563970 [1,0,0,1,0,0|2,0,0]=4 988 B9R1.6 CC(=O)C1CCCCC1 MCULE-3582349091 [1,0,0,1,0,0|1,0,0]=3 989 B9R1.6 CC(=O)C1CCCCN1 MCULE-2854776557 [1,0,0,1,0,0|2,0,0]=4 990 B9R1.6 CC(=O)C1CCCCN1 MCULE-7483298696 [1,0,0,1,0,0|2,0,0]=4 991 B9R1.6 CC(=O)C1CCCCO1 MCULE-6292051941 [1,0,0,1,0,0|2,0,0]=4 992 B9R1.6 CC(=O)C1CCCNC1 MCULE-5048287619 [1,0,0,1,0,0|2,0,0]=4 993 B9R1.6 CC(=O)C1CCCNC1 MCULE-7308448482 [1,0,0,1,0,0|2,0,0]=4 994 B9R1.6 CC(=O)C1CCCOC1 MCULE-8355092375 [1,0,0,1,0,0|2,0,0]=4 995 B9R1.6 CC(=O)C1CCNCC1 MCULE-5629644359 [1,0,0,1,0,0|2,0,0]=4 996 B9R1.6 CC(=O)C1CCNCC1 MCULE-7994490746 [1,0,0,1,0,0|2,0,0]=4 997 B9R1.6 CC(=O)C1CCOCC1 MCULE-4829713073 [1,0,0,1,0,0|2,0,0]=4 998 B9R1.6 CC(=O)C1CCSCC1 MCULE-1825777359 [1,0,0,1,0,0|2,0,0]=4 999 B9R1.6 CC(=O)N1CCCCC1 MCULE-2376049669 [1,0,0,1,0,0|2,0,0]=4 1000 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-6225629414 [1,0,0,1,0,0|2,0,0]=4 1001 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-9308955565 [1,0,0,1,0,0|2,0,0]=4 1002 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6405789728 [1,0,0,1,0,0|2,0,0]=4 1003 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6966774576 [1,0,0,1,0,0|2,0,0]=4 1004 B9R1.6 CC(O)C1CCCCC1 MCULE-5078012753 [1,0,0,1,0,0|1,0,1]=4 1005 B9R1.6 CS(=O)C1CCCCC1 MCULE-4263908685 [1,0,0,1,0,0|2,0,0]=4 1006 B9R1.6 C[C@@H](O)C1CCCCC1 MCULE-4304404236 [1,0,0,1,0,0|1,0,1]=4 1007 B9R1.6 C[C@@H](O)C1CCCCC1 MCULE-7854211857 [1,0,0,1,0,0|1,0,1]=4 1008 B9R1.6 C[C@H](O)C1CCCCC1 MCULE-9702860419 [1,0,0,1,0,0|1,0,1]=4 1009 B9R1.6 N=C(N)C1CCCCC1 MCULE-3107787417 [1,0,0,1,0,0|2,0,0]=4 1010 B9R1.6 N=C(N)C1CCCCC1 MCULE-9030561972 [1,0,0,1,0,0|2,0,0]=4 1011 B9R1.6 NC(=O)C1CCCCC1 MCULE-8611311863 [1,0,0,1,0,0|1,0,0]=3 1012 B9R1.6 NC(=O)C1CCCCN1 MCULE-2544126054 [1,0,0,1,0,0|2,0,0]=4 1013 B9R1.6 NC(=O)C1CCCCN1 MCULE-6661716686 [1,0,0,1,0,0|2,0,0]=4 1014 B9R1.6 NC(=O)C1CCCNC1 MCULE-1833696438 [1,0,0,1,0,0|2,0,0]=4 1015 B9R1.6 NC(=O)C1CCCNC1 MCULE-5902080067 [1,0,0,1,0,0|2,0,0]=4 1016 B9R1.6 NC(=O)C1CCCOC1 MCULE-3754898627 [1,0,0,1,0,0|2,0,0]=4 1017 B9R1.6 NC(=O)C1CCNCC1 MCULE-8206211805 [1,0,0,1,0,0|2,0,0]=4 1018 B9R1.6 NC(=O)C1CCNCC1 MCULE-8840746533 [1,0,0,1,0,0|2,0,0]=4 1019 B9R1.6 NC(=O)C1CCOCC1 MCULE-1626473774 [1,0,0,1,0,0|2,0,0]=4 1020 B9R1.6 NC(=O)N1CCCCC1 MCULE-9935688246 [1,0,0,1,0,0|2,0,0]=4 1021 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-1302948446 [1,0,0,1,0,0|2,0,0]=4 1022 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-3790099707 [1,0,0,1,0,0|2,0,0]=4 1023 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-4105759578 [1,0,0,1,0,0|2,0,0]=4 1024 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-6022899132 [1,0,0,1,0,0|2,0,0]=4 1025 B9R1.6 NC(=O)[C@H]1CCCCN1 MCULE-5554529404 [1,0,0,1,0,0|2,0,0]=4 1026 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-3568267883 [1,0,0,1,0,0|2,0,0]=4 1027 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-6403292667 [1,0,0,1,0,0|2,0,0]=4 1028 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-7433087477 [1,0,0,1,0,0|2,0,0]=4 1029 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-9069766695 [1,0,0,1,0,0|2,0,0]=4 1030 B9R1.6 NC(=S)C1CCCCC1 MCULE-8109334870 [1,0,0,1,0,0|1,1,0]=4 1031 B9R1.6 O=C(Cl)C1CCCCC1 MCULE-5867897390 [1,0,0,1,0,0|1,0,0]=3 1032 B9R1.6 O=C(Cl)C1CCCCO1 MCULE-2871405989 [1,0,0,1,0,0|2,0,0]=4 1033 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-6549888109 [1,0,0,1,0,0|2,0,0]=4 1034 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-7154842850 [1,0,0,1,0,0|2,0,0]=4 1035 B9R1.6 O=C(Cl)C1CCOCC1 MCULE-5435965006 [1,0,0,1,0,0|2,0,0]=4 1036 B9R1.6 O=C(Cl)C1CCSCC1 MCULE-2089111376 [1,0,0,1,0,0|2,0,0]=4 1037 B9R1.6 O=C(Cl)N1CCCCC1 MCULE-8197895576 [1,0,0,1,0,0|2,0,0]=4 1038 B9R1.6 O=C(O)C1=CCCCC1 MCULE-1482472372 [1,0,0,1,0,0|0,0,2]=4 1039 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [1,0,0,1,0,0|0,0,2]=4 1040 B9R1.6 O=C(O)C1CC=CCC1 MCULE-6262725586 [1,0,0,1,0,0|0,0,2]=4 1041 B9R1.6 O=C(O)C1CCCCC1 MCULE-2193918964 [1,0,0,1,0,0|0,0,0]=2 1042 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [1,0,0,1,0,0|1,0,0]=3 1043 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [1,0,0,1,0,0|1,0,0]=3 1044 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [1,0,0,1,0,0|1,0,0]=3 1045 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [1,0,0,1,0,0|1,0,0]=3 1046 B9R1.6 O=C(O)C1CCCCO1 MCULE-8947688342 [1,0,0,1,0,0|1,0,0]=3 1047 B9R1.6 O=C(O)C1CCCCS1 MCULE-6466357833 [1,0,0,1,0,0|1,0,0]=3 1048 B9R1.6 O=C(O)C1CCCNC1 MCULE-3189529983 [1,0,0,1,0,0|1,0,0]=3 1049 B9R1.6 O=C(O)C1CCCNC1 MCULE-5698100100 [1,0,0,1,0,0|1,0,0]=3 1050 B9R1.6 O=C(O)C1CCCNC1 MCULE-9486003126 [1,0,0,1,0,0|1,0,0]=3 1051 B9R1.6 O=C(O)C1CCCNN1 MCULE-1480488255 [1,0,0,1,0,0|2,0,0]=4 1052 B9R1.6 O=C(O)C1CCCNN1 MCULE-3054116225 [1,0,0,1,0,0|2,0,0]=4 1053 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [1,0,0,1,0,0|1,0,0]=3 1054 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [1,0,0,1,0,0|1,0,0]=3 1055 B9R1.6 O=C(O)C1CCNCC1 MCULE-5699874022 [1,0,0,1,0,0|1,0,0]=3 1056 B9R1.6 O=C(O)C1CCNCC1 MCULE-7477545245 [1,0,0,1,0,0|1,0,0]=3 1057 B9R1.6 O=C(O)C1CCOCC1 MCULE-4725122837 [1,0,0,1,0,0|1,0,0]=3 1058 B9R1.6 O=C(O)C1CCOCN1 MCULE-2724570105 [1,0,0,1,0,0|2,0,0]=4 1059 B9R1.6 O=C(O)C1CCOCN1 MCULE-7891527992 [1,0,0,1,0,0|2,0,0]=4 1060 B9R1.6 O=C(O)C1CCSCC1 MCULE-5031108601 [1,0,0,1,0,0|1,0,0]=3 1061 B9R1.6 O=C(O)C1CCSCN1 MCULE-7351632016 [1,0,0,1,0,0|2,0,0]=4 1062 B9R1.6 O=C(O)C1CCSCN1 MCULE-7786919982 [1,0,0,1,0,0|2,0,0]=4 1063 B9R1.6 O=C(O)C1CNCCN1 MCULE-2689074129 [1,0,0,1,0,0|2,0,0]=4 1064 B9R1.6 O=C(O)C1CNCCN1 MCULE-4697614875 [1,0,0,1,0,0|2,0,0]=4 1065 B9R1.6 O=C(O)C1CNCCN1 MCULE-7015381558 [1,0,0,1,0,0|2,0,0]=4 1066 B9R1.6 O=C(O)C1CNCCO1 MCULE-1106448255 [1,0,0,1,0,0|2,0,0]=4 1067 B9R1.6 O=C(O)C1CNCCO1 MCULE-5402647836 [1,0,0,1,0,0|2,0,0]=4 1068 B9R1.6 O=C(O)C1CNCCO1 MCULE-5647993069 [1,0,0,1,0,0|2,0,0]=4 1069 B9R1.6 O=C(O)C1CNCCO1 MCULE-6949638629 [1,0,0,1,0,0|2,0,0]=4 1070 B9R1.6 O=C(O)C1CNCCS1 MCULE-3981762124 [1,0,0,1,0,0|2,0,0]=4 1071 B9R1.6 O=C(O)C1CNCCS1 MCULE-4631923202 [1,0,0,1,0,0|2,0,0]=4 1072 B9R1.6 O=C(O)C1COCCN1 MCULE-2235592409 [1,0,0,1,0,0|2,0,0]=4 1073 B9R1.6 O=C(O)C1COCCN1 MCULE-6865044459 [1,0,0,1,0,0|2,0,0]=4 1074 B9R1.6 O=C(O)C1COCCO1 MCULE-3887767361 [1,0,0,1,0,0|2,0,0]=4 1075 B9R1.6 O=C(O)C1COCCO1 MCULE-6027603960 [1,0,0,1,0,0|2,0,0]=4 1076 B9R1.6 O=C(O)C1COCOC1 MCULE-4867087023 [1,0,0,1,0,0|2,0,0]=4 1077 B9R1.6 O=C(O)C1CSCCN1 MCULE-4003309722 [1,0,0,1,0,0|2,0,0]=4 1078 B9R1.6 O=C(O)C1CSCCN1 MCULE-5519716572 [1,0,0,1,0,0|2,0,0]=4 1079 B9R1.6 O=C(O)C1CSCCS1 MCULE-6267524662 [1,0,0,1,0,0|2,0,0]=4 1080 B9R1.6 O=C(O)C1NCCCS1 MCULE-7316372918 [1,0,0,1,0,0|2,0,0]=4 1081 B9R1.6 O=C(O)C1OCCCO1 MCULE-6505925267 [1,0,0,1,0,0|2,0,0]=4 1082 B9R1.6 O=C(O)C1SCCCS1 MCULE-6447130734 [1,0,0,1,0,0|2,0,0]=4 1083 B9R1.6 O=C(O)N1CCCCC1 MCULE-2727154893 [1,0,0,1,0,0|1,0,0]=3 1084 B9R1.6 O=C(O)N1CCCCC1 MCULE-4559010344 [1,0,0,1,0,0|1,0,0]=3 1085 B9R1.6 O=C(O)N1CCNCC1 MCULE-3508385346 [1,0,0,1,0,0|2,0,0]=4 1086 B9R1.6 O=C(O)N1CCOCC1 MCULE-7938310937 [1,0,0,1,0,0|2,0,0]=4 1087 B9R1.6 O=C(O)N1CCSCC1 MCULE-4867596495 [1,0,0,1,0,0|2,0,0]=4 1088 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-1597942572 [1,0,0,1,0,0|0,0,2]=4 1089 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-6215840629 [1,0,0,1,0,0|0,0,2]=4 1090 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [1,0,0,1,0,0|1,0,0]=3 1091 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [1,0,0,1,0,0|1,0,0]=3 1092 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [1,0,0,1,0,0|1,0,0]=3 1093 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [1,0,0,1,0,0|1,0,0]=3 1094 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-4995364653 [1,0,0,1,0,0|1,0,0]=3 1095 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-8767901302 [1,0,0,1,0,0|1,0,0]=3 1096 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-3206278693 [1,0,0,1,0,0|1,0,0]=3 1097 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-5509362549 [1,0,0,1,0,0|1,0,0]=3 1098 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-8357747886 [1,0,0,1,0,0|1,0,0]=3 1099 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-9156802088 [1,0,0,1,0,0|1,0,0]=3 1100 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-1404699605 [1,0,0,1,0,0|2,0,0]=4 1101 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-4463982289 [1,0,0,1,0,0|2,0,0]=4 1102 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-6113826647 [1,0,0,1,0,0|2,0,0]=4 1103 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [1,0,0,1,0,0|1,0,0]=3 1104 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [1,0,0,1,0,0|1,0,0]=3 1105 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-2545046706 [1,0,0,1,0,0|2,0,0]=4 1106 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-5694807182 [1,0,0,1,0,0|2,0,0]=4 1107 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7177432982 [1,0,0,1,0,0|2,0,0]=4 1108 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7413709257 [1,0,0,1,0,0|2,0,0]=4 1109 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-3078161658 [1,0,0,1,0,0|2,0,0]=4 1110 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-4550123668 [1,0,0,1,0,0|2,0,0]=4 1111 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7218215777 [1,0,0,1,0,0|2,0,0]=4 1112 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7983160968 [1,0,0,1,0,0|2,0,0]=4 1113 B9R1.6 O=C(O)[C@@H]1CNCCS1 MCULE-6650545170 [1,0,0,1,0,0|2,0,0]=4 1114 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-1789021231 [1,0,0,1,0,0|2,0,0]=4 1115 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-4026574279 [1,0,0,1,0,0|2,0,0]=4 1116 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-7736477261 [1,0,0,1,0,0|2,0,0]=4 1117 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-8166049277 [1,0,0,1,0,0|2,0,0]=4 1118 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-3560012987 [1,0,0,1,0,0|2,0,0]=4 1119 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-8883141087 [1,0,0,1,0,0|2,0,0]=4 1120 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-3905601111 [1,0,0,1,0,0|2,0,0]=4 1121 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9668825603 [1,0,0,1,0,0|2,0,0]=4 1122 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9675980130 [1,0,0,1,0,0|2,0,0]=4 1123 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-5009469360 [1,0,0,1,0,0|0,0,2]=4 1124 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-9797420475 [1,0,0,1,0,0|0,0,2]=4 1125 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [1,0,0,1,0,0|1,0,0]=3 1126 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [1,0,0,1,0,0|1,0,0]=3 1127 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [1,0,0,1,0,0|1,0,0]=3 1128 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [1,0,0,1,0,0|1,0,0]=3 1129 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-2856988466 [1,0,0,1,0,0|1,0,0]=3 1130 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-8960602925 [1,0,0,1,0,0|1,0,0]=3 1131 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-5644771403 [1,0,0,1,0,0|1,0,0]=3 1132 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-6473613352 [1,0,0,1,0,0|1,0,0]=3 1133 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-7395918259 [1,0,0,1,0,0|1,0,0]=3 1134 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-8202628107 [1,0,0,1,0,0|1,0,0]=3 1135 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-5460978548 [1,0,0,1,0,0|2,0,0]=4 1136 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-6296084302 [1,0,0,1,0,0|2,0,0]=4 1137 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [1,0,0,1,0,0|1,0,0]=3 1138 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [1,0,0,1,0,0|1,0,0]=3 1139 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [1,0,0,1,0,0|1,0,0]=3 1140 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-2073761586 [1,0,0,1,0,0|2,0,0]=4 1141 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-3099021896 [1,0,0,1,0,0|2,0,0]=4 1142 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-5862899979 [1,0,0,1,0,0|2,0,0]=4 1143 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-8591926633 [1,0,0,1,0,0|2,0,0]=4 1144 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-9781518658 [1,0,0,1,0,0|2,0,0]=4 1145 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-1051281674 [1,0,0,1,0,0|2,0,0]=4 1146 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-2477891803 [1,0,0,1,0,0|2,0,0]=4 1147 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-5182952887 [1,0,0,1,0,0|2,0,0]=4 1148 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-6051376580 [1,0,0,1,0,0|2,0,0]=4 1149 B9R1.6 O=C(O)[C@H]1CNCCS1 MCULE-7818958113 [1,0,0,1,0,0|2,0,0]=4 1150 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-2388461804 [1,0,0,1,0,0|2,0,0]=4 1151 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-3810653827 [1,0,0,1,0,0|2,0,0]=4 1152 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-6589310258 [1,0,0,1,0,0|2,0,0]=4 1153 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-9158991594 [1,0,0,1,0,0|2,0,0]=4 1154 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-6591475838 [1,0,0,1,0,0|2,0,0]=4 1155 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-9849453248 [1,0,0,1,0,0|2,0,0]=4 1156 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-2174373928 [1,0,0,1,0,0|2,0,0]=4 1157 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-5936347595 [1,0,0,1,0,0|2,0,0]=4 1158 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-8464504119 [1,0,0,1,0,0|2,0,0]=4 1159 B9R1.6 O=C([O-])C1CCCCC1 MCULE-2430887278 [1,0,0,1,0,0|0,0,1]=3 1160 B9R1.6 O=C([O-])C1CCCCN1 MCULE-2358540296 [1,0,0,1,0,0|1,0,1]=4 1161 B9R1.6 O=N(=O)C1CCCCC1 MCULE-6198799449 [1,0,0,1,0,0|1,0,1]=4 1162 B9R1.6 O=S(O)C1CCCCC1 MCULE-2447383910 [1,0,0,1,0,0|1,0,0]=3 1163 B9R1.6 O=S([O-])C1CCCCC1 MCULE-4340070525 [1,0,0,1,0,0|1,0,1]=4 1164 B9R1.6 OB(O)C1CCCCC1 MCULE-7463281328 [1,0,0,1,0,0|1,0,1]=4 1165 B9R1.6 [C@H]1(CSCCN1)C(=O)O MCULE-2592294388 [1,0,0,1,0,0|2,0,0]=4 1166 B9R1.15 CCC1CCCCC1=O MCULE-2493543558 [1,0,0,1,0,0|1,0,0]=3 1167 B9R1.15 CCC1CCCCC1O MCULE-7514335194 [1,0,0,1,0,0|1,0,1]=4 1168 B9R1.15 CCC1CCCNC1=O MCULE-9899311713 [1,0,0,1,0,0|1,0,0]=3 1169 B9R1.15 CCC1CCCOC1=O MCULE-7711682964 [1,0,0,1,0,0|0,0,0]=2 1170 B9R1.15 CCC1CCOCC1=O MCULE-6091403730 [1,0,0,1,0,0|2,0,0]=4 1171 B9R1.15 CCC1CNCCC1=O MCULE-2556100366 [1,0,0,1,0,0|2,0,0]=4 1172 B9R1.15 CCC1CNCCC1=O MCULE-7698648783 [1,0,0,1,0,0|2,0,0]=4 1173 B9R1.15 CCC1COCCC1=O MCULE-8876011937 [1,0,0,1,0,0|2,0,0]=4 1174 B9R1.15 CCC1NCCCC1=O MCULE-2124880483 [1,0,0,1,0,0|2,0,0]=4 1175 B9R1.15 CCC1NCCCC1=O MCULE-9326512534 [1,0,0,1,0,0|2,0,0]=4 1176 B9R1.15 CCC1NCCNC1=O MCULE-2852633323 [1,0,0,1,0,0|2,0,0]=4 1177 B9R1.15 CCC1SCCNC1=O MCULE-4981084970 [1,0,0,1,0,0|2,0,0]=4 1178 B9R1.15 CCN1CCCNC1=O MCULE-6927699575 [1,0,0,1,0,0|2,0,0]=4 1179 B9R1.15 CNC1CCCCC1=O MCULE-4213094446 [1,0,0,1,0,0|2,0,0]=4 1180 B9R1.15 CNC1CCCCC1=O MCULE-6828302325 [1,0,0,1,0,0|2,0,0]=4 1181 B9R1.15 CNC1CCCNC1=O MCULE-5728861814 [1,0,0,1,0,0|2,0,0]=4 1182 B9R1.15 CNC1CCCNC1=O MCULE-6142186918 [1,0,0,1,0,0|2,0,0]=4 1183 B9R1.15 COC1CCCCC1=O MCULE-7022503614 [1,0,0,1,0,0|2,0,0]=4 1184 B9R1.15 COC1CCCNC1=O MCULE-7453342727 [1,0,0,1,0,0|2,0,0]=4 1185 B9R1.15 CSC1CCCCC1=O MCULE-4042708421 [1,0,0,1,0,0|2,0,0]=4 1186 B9R1.15 NCC1CCCNC1=O MCULE-3811327759 [1,0,0,1,0,0|2,0,0]=4 1187 B9R1.15 NCC1CCCNC1=O MCULE-7406524376 [1,0,0,1,0,0|2,0,0]=4 1188 B9R1.15 O=C1CCCCC1CO MCULE-1345678838 [1,0,0,1,0,0|2,0,0]=4 1189 B9R1.15 O=C1NCCCC1CO MCULE-3810407789 [1,0,0,1,0,0|2,0,0]=4 1190 B9R1.33 CCCC1CCCC1=O MCULE-6186440440 [1,0,0,1,0,0|1,0,0]=3 1191 B9R1.33 CCCN1CCCC1=O MCULE-4645322719 [1,0,0,1,0,0|2,0,0]=4 1192 B9R1.33 CCNC1CCNC1=O MCULE-2074854228 [1,0,0,1,0,0|2,0,0]=4 1193 B9R1.33 CCNC1CCNC1=O MCULE-3586994660 [1,0,0,1,0,0|2,0,0]=4 1194 B9R1.33 CCOC1CCCC1=O MCULE-2011374486 [1,0,0,1,0,0|2,0,0]=4 1195 B9R1.33 CCSC1CCOC1=O MCULE-2036311028 [1,0,0,1,0,0|1,0,0]=3 1196 B9R1.33 COCC1CCCC1=O MCULE-9169493233 [1,0,0,1,0,0|2,0,0]=4 1197 B9R1.33 COCC1CCNC1=O MCULE-3659365395 [1,0,0,1,0,0|2,0,0]=4 1198 B9R1.33 NCCN1CCOC1=O MCULE-2249111154 [1,0,0,1,0,0|2,0,0]=4 1199 B9R1.33 NCCN1CCOC1=O MCULE-5564763400 [1,0,0,1,0,0|2,0,0]=4 1200 B9R1.33 O=C1CCCC1CCBr MCULE-3436975742 [1,0,0,1,0,0|2,0,0]=4 1201 B9R1.33 O=C1CCCC1CCF MCULE-7227991716 [1,0,0,1,0,0|2,0,0]=4 1202 B9R1.33 O=C1NCCC1CCBr MCULE-7843912959 [1,0,0,1,0,0|2,0,0]=4 1203 B9R1.33 O=C1NCCC1CCCl MCULE-7292036119 [1,0,0,1,0,0|2,0,0]=4 1204 B9R1.33 O=C1NCCC1CCO MCULE-4049375641 [1,0,0,1,0,0|2,0,0]=4 1205 B9R1.33 O=C1OCCC1CCBr MCULE-8450575724 [1,0,0,1,0,0|1,0,0]=3 1206 B9R1.33 O=C1OCCN1CCBr MCULE-7101781971 [1,0,0,1,0,0|2,0,0]=4 1207 B9R1.33 O=C1OCCN1CCCl MCULE-4112525203 [1,0,0,1,0,0|2,0,0]=4 1208 B9R1.33 O=C1OCCN1CCO MCULE-9126918441 [1,0,0,1,0,0|2,0,0]=4 1209 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [1,0,0,1,0,0|1,0,1]=4 1210 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [1,0,0,1,0,0|1,0,0]=3 1211 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [1,0,0,1,0,0|1,0,0]=3 1212 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [1,0,0,1,0,0|0,0,2]=4 1213 B9R1.35 CC(=O)C1CCN(C1)C MCULE-4293303594 [1,0,0,1,0,0|2,0,0]=4 1214 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [1,0,0,1,0,0|1,0,1]=4 1215 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [1,0,0,1,0,0|1,0,1]=4 1216 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [1,0,0,1,0,0|1,0,0]=3 1217 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [1,0,0,1,0,0|0,0,0]=2 1218 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [1,0,0,1,0,0|1,0,0]=3 1219 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [1,0,0,1,0,0|1,0,0]=3 1220 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [1,0,0,1,0,0|1,0,0]=3 1221 B9R1.35 CC1CCN(C1)C(=O)Cl MCULE-4918001156 [1,0,0,1,0,0|2,0,0]=4 1222 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [1,0,0,1,0,0|1,0,0]=3 1223 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [1,0,0,1,0,0|1,0,0]=3 1224 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [1,0,0,1,0,0|1,0,0]=3 1225 B9R1.35 CC1NC(CS1)C(=O)O MCULE-3100233154 [1,0,0,1,0,0|2,0,0]=4 1226 B9R1.35 CC1N[C@H](CS1)C(=O)O MCULE-6392464999 [1,0,0,1,0,0|2,0,0]=4 1227 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [1,0,0,1,0,0|1,0,0]=3 1228 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [1,0,0,1,0,0|1,0,0]=3 1229 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [1,0,0,1,0,0|1,0,0]=3 1230 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [1,0,0,1,0,0|1,0,0]=3 1231 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [1,0,0,1,0,0|1,0,0]=3 1232 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [1,0,0,1,0,0|1,0,0]=3 1233 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [1,0,0,1,0,0|1,0,0]=3 1234 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [1,0,0,1,0,0|1,0,0]=3 1235 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [1,0,0,1,0,0|1,0,0]=3 1236 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [1,0,0,1,0,0|1,0,0]=3 1237 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [1,0,0,1,0,0|1,0,0]=3 1238 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [1,0,0,1,0,0|1,0,0]=3 1239 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [1,0,0,1,0,0|1,0,0]=3 1240 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [1,0,0,1,0,0|1,0,0]=3 1241 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [1,0,0,1,0,0|1,0,0]=3 1242 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [1,0,0,1,0,0|1,0,0]=3 1243 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [1,0,0,1,0,0|1,0,0]=3 1244 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [1,0,0,1,0,0|1,0,0]=3 1245 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [1,0,0,1,0,0|1,0,0]=3 1246 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [1,0,0,1,0,0|1,0,0]=3 1247 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [1,0,0,1,0,0|1,0,0]=3 1248 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [1,0,0,1,0,0|1,0,0]=3 1249 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [1,0,0,1,0,0|1,0,0]=3 1250 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [1,0,0,1,0,0|1,0,0]=3 1251 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [1,0,0,1,0,0|1,0,0]=3 1252 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [1,0,0,1,0,0|1,0,0]=3 1253 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [1,0,0,1,0,0|1,0,0]=3 1254 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [1,0,0,1,0,0|1,0,0]=3 1255 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [1,0,0,1,0,0|1,0,0]=3 1256 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [1,0,0,1,0,0|1,0,0]=3 1257 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-7570889128 [1,0,0,1,0,0|2,0,0]=4 1258 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-8629602486 [1,0,0,1,0,0|2,0,0]=4 1259 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [1,0,0,1,0,0|1,0,0]=3 1260 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [1,0,0,1,0,0|1,0,0]=3 1261 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [1,0,0,1,0,0|2,0,0]=4 1262 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [1,0,0,1,0,0|2,0,0]=4 1263 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [1,0,0,1,0,0|1,0,0]=3 1264 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [1,0,0,1,0,0|1,0,0]=3 1265 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [1,0,0,1,0,0|1,0,0]=3 1266 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [1,0,0,1,0,0|1,0,0]=3 1267 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [1,0,0,1,0,0|1,0,0]=3 1268 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [1,0,0,1,0,0|1,0,0]=3 1269 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [1,0,0,1,0,0|1,0,0]=3 1270 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [1,0,0,1,0,0|1,0,0]=3 1271 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [1,0,0,1,0,0|2,0,0]=4 1272 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [1,0,0,1,0,0|2,0,0]=4 1273 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [1,0,0,1,0,0|2,0,0]=4 1274 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [1,0,0,1,0,0|2,0,0]=4 1275 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [1,0,0,1,0,0|2,0,0]=4 1276 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [1,0,0,1,0,0|2,0,0]=4 1277 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [1,0,0,1,0,0|2,0,0]=4 1278 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [1,0,0,1,0,0|2,0,0]=4 1279 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [1,0,0,1,0,0|1,0,0]=3 1280 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [1,0,0,1,0,0|1,0,0]=3 1281 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [1,0,0,1,0,0|1,0,0]=3 1282 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [1,0,0,1,0,0|1,0,0]=3 1283 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [1,0,0,1,0,0|1,0,0]=3 1284 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [1,0,0,1,0,0|1,0,0]=3 1285 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [1,0,0,1,0,0|1,0,0]=3 1286 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [1,0,0,1,0,0|1,0,0]=3 1287 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [1,0,0,1,0,0|1,0,0]=3 1288 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [1,0,0,1,0,0|1,0,0]=3 1289 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [1,0,0,1,0,0|2,0,0]=4 1290 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [1,0,0,1,0,0|2,0,0]=4 1291 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [1,0,0,1,0,0|2,0,0]=4 1292 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [1,0,0,1,0,0|2,0,0]=4 1293 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [1,0,0,1,0,0|2,0,0]=4 1294 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [1,0,0,1,0,0|2,0,0]=4 1295 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [1,0,0,1,0,0|2,0,0]=4 1296 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [1,0,0,1,0,0|2,0,0]=4 1297 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [1,0,0,1,0,0|2,0,0]=4 1298 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [1,0,0,1,0,0|2,0,0]=4 1299 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [1,0,0,1,0,0|2,0,0]=4 1300 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [1,0,0,1,0,0|2,0,0]=4 1301 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [1,0,0,1,0,0|2,0,0]=4 1302 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [1,0,0,1,0,0|2,0,0]=4 1303 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [1,0,0,1,0,0|2,0,0]=4 1304 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [1,0,0,1,0,0|2,0,0]=4 1305 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [1,0,0,1,0,0|1,0,0]=3 1306 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [1,0,0,1,0,0|1,0,0]=3 1307 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [1,0,0,1,0,0|1,0,0]=3 1308 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [1,0,0,1,0,0|2,0,0]=4 1309 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [1,0,0,1,0,0|2,0,0]=4 1310 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [1,0,0,1,0,0|2,0,0]=4 1311 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [1,0,0,1,0,0|1,0,0]=3 1312 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [1,0,0,1,0,0|1,0,0]=3 1313 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [1,0,0,1,0,0|1,0,0]=3 1314 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [1,0,0,1,0,0|2,0,0]=4 1315 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [1,0,0,1,0,0|2,0,0]=4 1316 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [1,0,0,1,0,0|2,0,0]=4 1317 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [1,0,0,1,0,0|2,0,0]=4 1318 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [1,0,0,1,0,0|2,0,0]=4 1319 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [1,0,0,1,0,0|2,0,0]=4 1320 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [1,0,0,1,0,0|2,0,0]=4 1321 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [1,0,0,1,0,0|2,0,0]=4 1322 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [1,0,0,1,0,0|2,0,0]=4 1323 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [1,0,0,1,0,0|2,0,0]=4 1324 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [1,0,0,1,0,0|2,0,0]=4 1325 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [1,0,0,1,0,0|2,0,0]=4 1326 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [1,0,0,1,0,0|2,0,0]=4 1327 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [1,0,0,1,0,0|2,0,0]=4 1328 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [1,0,0,1,0,0|2,0,0]=4 1329 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [1,0,0,1,0,0|2,0,0]=4 1330 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [1,0,0,1,0,0|2,0,0]=4 1331 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [1,0,0,1,0,0|2,0,0]=4 1332 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [1,0,0,1,0,0|2,0,0]=4 1333 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [1,0,0,1,0,0|2,0,0]=4 1334 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [1,0,0,1,0,0|2,0,0]=4 1335 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [1,0,0,1,0,0|2,0,0]=4 1336 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [1,0,0,1,0,0|2,0,0]=4 1337 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [1,0,0,1,0,0|2,0,0]=4 1338 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [1,0,0,1,0,0|2,0,0]=4 1339 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [1,0,0,1,0,0|2,0,0]=4 1340 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [1,0,0,1,0,0|2,0,0]=4 1341 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [1,0,0,1,0,0|2,0,0]=4 1342 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [1,0,0,1,0,0|2,0,0]=4 1343 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [1,0,0,1,0,0|1,0,0]=3 1344 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [1,0,0,1,0,0|1,0,0]=3 1345 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [1,0,0,1,0,0|1,0,0]=3 1346 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [1,0,0,1,0,0|2,0,0]=4 1347 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [1,0,0,1,0,0|2,0,0]=4 1348 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [1,0,0,1,0,0|2,0,0]=4 1349 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [1,0,0,1,0,0|2,0,0]=4 1350 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [1,0,0,1,0,0|2,0,0]=4 1351 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [1,0,0,1,0,0|2,0,0]=4 1352 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [1,0,0,1,0,0|2,0,0]=4 1353 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [1,0,0,1,0,0|2,0,0]=4 1354 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [1,0,0,1,0,0|2,0,0]=4 1355 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [1,0,0,1,0,0|2,0,0]=4 1356 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [1,0,0,1,0,0|2,0,0]=4 1357 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [1,0,0,1,0,0|2,0,0]=4 1358 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [1,0,0,1,0,0|2,0,0]=4 1359 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [1,0,0,1,0,0|2,0,0]=4 1360 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [1,0,0,1,0,0|2,0,0]=4 1361 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [1,0,0,1,0,0|2,0,0]=4 1362 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [1,0,0,1,0,0|1,0,1]=4 1363 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [1,0,0,1,0,0|1,0,1]=4 1364 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [1,0,0,1,0,0|1,0,1]=4 1365 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [1,0,0,1,0,0|1,0,1]=4 1366 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [1,0,0,1,0,0|1,0,1]=4 1367 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [1,0,0,1,0,0|2,0,0]=4 1368 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [1,0,0,1,0,0|1,0,0]=3 1369 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [1,0,0,1,0,0|1,0,0]=3 1370 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [1,0,0,1,0,0|2,0,0]=4 1371 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [1,0,0,1,0,0|2,0,0]=4 1372 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [1,0,0,1,0,0|2,0,0]=4 1373 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [1,0,0,1,0,0|2,0,0]=4 1374 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [1,0,0,1,0,0|2,0,0]=4 1375 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [1,0,0,1,0,0|2,0,0]=4 1376 B9R1.41 C1(CCCN1C)C(=O)O MCULE-7988130618 [1,0,0,1,0,0|1,0,0]=3 1377 B9R1.41 CC1=C(CCC1)C(=O)O MCULE-4166872703 [1,0,0,1,0,0|0,0,2]=4 1378 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [1,0,0,1,0,0|0,0,0]=2 1379 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [1,0,0,1,0,0|1,0,0]=3 1380 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [1,0,0,1,0,0|1,0,0]=3 1381 B9R1.41 CC1CNCC1C(=O)O MCULE-1581522558 [1,0,0,1,0,0|1,0,0]=3 1382 B9R1.41 CC1CNCC1C(=O)O MCULE-6848551085 [1,0,0,1,0,0|1,0,0]=3 1383 B9R1.41 CC1NCCC1C(=O)O MCULE-5042669811 [1,0,0,1,0,0|1,0,0]=3 1384 B9R1.41 CC1NCCC1C(=O)O MCULE-8546677468 [1,0,0,1,0,0|1,0,0]=3 1385 B9R1.41 CC1OCCC1C(=O)O MCULE-4181521736 [1,0,0,1,0,0|1,0,0]=3 1386 B9R1.41 CN1CCCC1C(=O)N MCULE-1474656837 [1,0,0,1,0,0|2,0,0]=4 1387 B9R1.41 CN1CCCC1C(=O)O MCULE-4884381644 [1,0,0,1,0,0|1,0,0]=3 1388 B9R1.41 CN1CCCC1C(=O)O MCULE-6241162207 [1,0,0,1,0,0|1,0,0]=3 1389 B9R1.41 CN1CCCC1C(=O)O MCULE-7232060205 [1,0,0,1,0,0|1,0,0]=3 1390 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1129223179 [1,0,0,1,0,0|2,0,0]=4 1391 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1418743058 [1,0,0,1,0,0|2,0,0]=4 1392 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-3947573313 [1,0,0,1,0,0|1,0,0]=3 1393 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-4168419254 [1,0,0,1,0,0|1,0,0]=3 1394 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-6504349835 [1,0,0,1,0,0|1,0,0]=3 1395 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-9943329201 [1,0,0,1,0,0|1,0,0]=3 1396 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-1155656545 [1,0,0,1,0,0|2,0,0]=4 1397 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-5987152150 [1,0,0,1,0,0|2,0,0]=4 1398 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-1661156416 [1,0,0,1,0,0|1,0,0]=3 1399 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-2535799805 [1,0,0,1,0,0|1,0,0]=3 1400 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-3283459585 [1,0,0,1,0,0|1,0,0]=3 1401 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-5506159927 [1,0,0,1,0,0|1,0,0]=3 1402 B9R1.41 CN1CSCC1C(=O)O MCULE-6053778396 [1,0,0,1,0,0|2,0,0]=4 1403 B9R1.41 CN1CSCC1C(=O)O MCULE-8768199445 [1,0,0,1,0,0|2,0,0]=4 1404 B9R1.41 CN1CSC[C@@H]1C(=O)O MCULE-9390031358 [1,0,0,1,0,0|2,0,0]=4 1405 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-2295281512 [1,0,0,1,0,0|2,0,0]=4 1406 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-3344236668 [1,0,0,1,0,0|2,0,0]=4 1407 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-6116857567 [1,0,0,1,0,0|2,0,0]=4 1408 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-7315008971 [1,0,0,1,0,0|2,0,0]=4 1409 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [1,0,0,1,0,0|1,0,0]=3 1410 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [1,0,0,1,0,0|1,0,0]=3 1411 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [1,0,0,1,0,0|1,0,0]=3 1412 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O MCULE-5338216485 [1,0,0,1,0,0|1,0,0]=3 1413 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-3425733853 [1,0,0,1,0,0|1,0,0]=3 1414 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-5424989009 [1,0,0,1,0,0|1,0,0]=3 1415 B9R1.41 C[C@@H]1NCC[C@@H]1C(=O)O MCULE-1674735474 [1,0,0,1,0,0|1,0,0]=3 1416 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-8959062032 [1,0,0,1,0,0|1,0,0]=3 1417 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-9340754868 [1,0,0,1,0,0|1,0,0]=3 1418 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4624227681 [1,0,0,1,0,0|1,0,0]=3 1419 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4653588182 [1,0,0,1,0,0|1,0,0]=3 1420 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [1,0,0,1,0,0|1,0,0]=3 1421 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [1,0,0,1,0,0|1,0,0]=3 1422 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [1,0,0,1,0,0|1,0,0]=3 1423 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-3190006541 [1,0,0,1,0,0|1,0,0]=3 1424 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-7835079063 [1,0,0,1,0,0|1,0,0]=3 1425 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-1189864899 [1,0,0,1,0,0|1,0,0]=3 1426 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-8012665255 [1,0,0,1,0,0|1,0,0]=3 1427 B9R1.41 NC(=O)C1CCCC1N MCULE-5593863466 [1,0,0,1,0,0|2,0,0]=4 1428 B9R1.41 NC(=O)C1CCCC1N MCULE-7208597206 [1,0,0,1,0,0|2,0,0]=4 1429 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-1275176642 [1,0,0,1,0,0|2,0,0]=4 1430 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2107283008 [1,0,0,1,0,0|2,0,0]=4 1431 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2865532845 [1,0,0,1,0,0|2,0,0]=4 1432 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-3874121291 [1,0,0,1,0,0|2,0,0]=4 1433 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1O MCULE-7290076922 [1,0,0,1,0,0|2,0,0]=4 1434 B9R1.41 NC1CCCC1C(=O)O MCULE-4916984038 [1,0,0,1,0,0|1,0,0]=3 1435 B9R1.41 NC1CCCC1C(=O)O MCULE-7220342321 [1,0,0,1,0,0|1,0,0]=3 1436 B9R1.41 NC1CCNC1C(=O)O MCULE-3789976956 [1,0,0,1,0,0|2,0,0]=4 1437 B9R1.41 NC1CCNC1C(=O)O MCULE-5356536056 [1,0,0,1,0,0|2,0,0]=4 1438 B9R1.41 NC1CNCC1C(=O)O MCULE-1244086282 [1,0,0,1,0,0|2,0,0]=4 1439 B9R1.41 NC1COCC1C(=O)O MCULE-7325840275 [1,0,0,1,0,0|2,0,0]=4 1440 B9R1.41 NC1COCC1C(=O)O MCULE-9068897815 [1,0,0,1,0,0|2,0,0]=4 1441 B9R1.41 NN1CCCC1C(=O)O MCULE-1374834183 [1,0,0,1,0,0|2,0,0]=4 1442 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-3446631182 [1,0,0,1,0,0|1,0,0]=3 1443 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-4537266002 [1,0,0,1,0,0|1,0,0]=3 1444 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9091292908 [1,0,0,1,0,0|1,0,0]=3 1445 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9780104108 [1,0,0,1,0,0|1,0,0]=3 1446 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-1397305924 [1,0,0,1,0,0|1,0,0]=3 1447 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-5447983159 [1,0,0,1,0,0|1,0,0]=3 1448 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-6345808896 [1,0,0,1,0,0|1,0,0]=3 1449 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-7658809060 [1,0,0,1,0,0|1,0,0]=3 1450 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-1080605796 [1,0,0,1,0,0|2,0,0]=4 1451 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5666272526 [1,0,0,1,0,0|2,0,0]=4 1452 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5723263979 [1,0,0,1,0,0|2,0,0]=4 1453 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-6574312344 [1,0,0,1,0,0|2,0,0]=4 1454 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O MCULE-9833243208 [1,0,0,1,0,0|2,0,0]=4 1455 B9R1.41 N[C@@H]1COC[C@H]1C(=O)O MCULE-7323429960 [1,0,0,1,0,0|2,0,0]=4 1456 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-5128495564 [1,0,0,1,0,0|1,0,0]=3 1457 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-7721875754 [1,0,0,1,0,0|1,0,0]=3 1458 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-8287396944 [1,0,0,1,0,0|1,0,0]=3 1459 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9470915806 [1,0,0,1,0,0|1,0,0]=3 1460 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9776724097 [1,0,0,1,0,0|1,0,0]=3 1461 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9997148303 [1,0,0,1,0,0|1,0,0]=3 1462 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-1768949677 [1,0,0,1,0,0|1,0,0]=3 1463 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-2999200875 [1,0,0,1,0,0|1,0,0]=3 1464 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-4735278058 [1,0,0,1,0,0|1,0,0]=3 1465 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-7501259126 [1,0,0,1,0,0|1,0,0]=3 1466 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-4396526735 [1,0,0,1,0,0|2,0,0]=4 1467 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-9025415433 [1,0,0,1,0,0|2,0,0]=4 1468 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-2956846972 [1,0,0,1,0,0|2,0,0]=4 1469 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-3321988270 [1,0,0,1,0,0|2,0,0]=4 1470 B9R1.41 O=C(O)C1CCCC1=O MCULE-9500236289 [1,0,0,1,0,0|1,0,1]=4 1471 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [1,0,0,1,0,0|1,0,0]=3 1472 B9R1.41 O=C(O)C1CNCC1O MCULE-4948062518 [1,0,0,1,0,0|2,0,0]=4 1473 B9R1.41 O=C(O)C1CNCC1O MCULE-8113161890 [1,0,0,1,0,0|2,0,0]=4 1474 B9R1.41 O=C(O)C1COCC1F MCULE-8830875984 [1,0,0,1,0,0|2,0,0]=4 1475 B9R1.41 O=C(O)C1NCCC1F MCULE-2108063646 [1,0,0,1,0,0|2,0,0]=4 1476 B9R1.41 O=C(O)C1NCCC1F MCULE-6901343291 [1,0,0,1,0,0|2,0,0]=4 1477 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [1,0,0,1,0,0|2,0,0]=4 1478 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [1,0,0,1,0,0|2,0,0]=4 1479 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [1,0,0,1,0,0|2,0,0]=4 1480 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-3174474393 [1,0,0,1,0,0|2,0,0]=4 1481 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-5151888407 [1,0,0,1,0,0|2,0,0]=4 1482 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [1,0,0,1,0,0|2,0,0]=4 1483 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [1,0,0,1,0,0|2,0,0]=4 1484 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [1,0,0,1,0,0|2,0,0]=4 1485 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [1,0,0,1,0,0|2,0,0]=4 1486 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [1,0,0,1,0,0|2,0,0]=4 1487 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7001095632 [1,0,0,1,0,0|2,0,0]=4 1488 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7931619369 [1,0,0,1,0,0|2,0,0]=4 1489 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [1,0,0,1,0,0|2,0,0]=4 1490 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [1,0,0,1,0,0|2,0,0]=4 1491 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [1,0,0,1,0,0|2,0,0]=4 1492 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [1,0,0,1,0,0|2,0,0]=4 1493 B9R1.41 O=C(O)[C@@H]1[NH2+]CC[C@@H]1O MCULE-4350473030 [1,0,0,1,0,0|2,0,0]=4 1494 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [1,0,0,1,0,0|1,0,0]=3 1495 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-1175817797 [1,0,0,1,0,0|2,0,0]=4 1496 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-5823079222 [1,0,0,1,0,0|2,0,0]=4 1497 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-6437141041 [1,0,0,1,0,0|2,0,0]=4 1498 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-8496599400 [1,0,0,1,0,0|2,0,0]=4 1499 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [1,0,0,1,0,0|2,0,0]=4 1500 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [1,0,0,1,0,0|2,0,0]=4 1501 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [1,0,0,1,0,0|2,0,0]=4 1502 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F MCULE-8117073613 [1,0,0,1,0,0|2,0,0]=4 1503 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [1,0,0,1,0,0|2,0,0]=4 1504 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [1,0,0,1,0,0|2,0,0]=4 1505 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [1,0,0,1,0,0|2,0,0]=4 1506 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [1,0,0,1,0,0|2,0,0]=4 1507 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [1,0,0,1,0,0|2,0,0]=4 1508 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [1,0,0,1,0,0|2,0,0]=4 1509 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [1,0,0,1,0,0|2,0,0]=4 1510 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [1,0,0,1,0,0|2,0,0]=4 1511 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [1,0,0,1,0,0|2,0,0]=4 1512 B9R1.96 C1(NCC1CC)C(=O)O MCULE-9517338987 [1,0,0,1,0,0|1,0,0]=3 1513 B9R1.96 CCC1CNC1C(=O)O MCULE-5561702986 [1,0,0,1,0,0|1,0,0]=3 1514 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-1585063492 [1,0,0,1,0,0|1,0,0]=3 1515 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-7143773936 [1,0,0,1,0,0|1,0,0]=3 1516 B9R1.96 CCN1CCC1C(=O)O MCULE-9616158921 [1,0,0,1,0,0|1,0,0]=3 1517 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-1971461514 [1,0,0,1,0,0|1,0,0]=3 1518 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-4762142431 [1,0,0,1,0,0|1,0,0]=3 1519 B9R1.96 N#CC1CCC1C(=O)O MCULE-1939970378 [1,0,0,1,0,0|1,0,1]=4 1520 B9R1.96 O=C(O)C1CCC1CO MCULE-9648982851 [1,0,0,1,0,0|1,0,0]=3 1521 B9R1.96 O=C([O-])C1CCC1CO MCULE-8666321081 [1,0,0,1,0,0|1,0,1]=4 1522 B9R1.116 CNC(C(=O)N)C1CC1 MCULE-8533863121 [1,0,0,1,0,0|2,0,0]=4 1523 B9R1.116 CNC(C(=O)O)C1CC1 MCULE-7436139771 [1,0,0,1,0,0|1,0,0]=3 1524 B9R1.116 COC(C(=O)O)C1CC1 MCULE-8084470877 [1,0,0,1,0,0|1,0,0]=3 1525 B9R1.116 NOC(C(=O)O)C1CC1 MCULE-4234133801 [1,0,0,1,0,0|2,0,0]=4 1526 B9R1.116 NOC(C(=O)O)C1CC1 MCULE-8165844235 [1,0,0,1,0,0|2,0,0]=4 1527 B9R1.119 C#CC1(CCC1)C(=O)O MCULE-2021077070 [1,0,0,1,0,0|0,0,2]=4 1528 B9R1.119 CCC1(CCC1)C(=O)O MCULE-8472500117 [1,0,0,1,0,0|0,0,0]=2 1529 B9R1.119 CCC1(CCO1)C(=O)O MCULE-9145728118 [1,0,0,1,0,0|1,0,0]=3 1530 B9R1.119 CCC1(CNC1)C(=O)O MCULE-8053068489 [1,0,0,1,0,0|1,0,0]=3 1531 B9R1.119 CCC1(COC1)C(=O)C MCULE-8523538443 [1,0,0,1,0,0|2,0,0]=4 1532 B9R1.119 CCC1(COC1)C(=O)O MCULE-3962066812 [1,0,0,1,0,0|1,0,0]=3 1533 B9R1.119 CC[C@]1(CCO1)C(=O)O MCULE-5752888055 [1,0,0,1,0,0|1,0,0]=3 1534 B9R1.119 CNC1(CCC1)C(=O)N MCULE-9618501617 [1,0,0,1,0,0|2,0,0]=4 1535 B9R1.119 CNC1(CCC1)C(=O)O MCULE-3757495053 [1,0,0,1,0,0|1,0,0]=3 1536 B9R1.119 CNC1(CCC1)C(=O)O MCULE-4024637716 [1,0,0,1,0,0|1,0,0]=3 1537 B9R1.119 CNC1(CNC1)C(=O)O MCULE-2429867360 [1,0,0,1,0,0|2,0,0]=4 1538 B9R1.119 CNC1(CNC1)C(=O)O MCULE-6668272665 [1,0,0,1,0,0|2,0,0]=4 1539 B9R1.119 CNC1(COC1)C(=O)O MCULE-5428851378 [1,0,0,1,0,0|2,0,0]=4 1540 B9R1.119 COC1(CCC1)C(=O)C MCULE-7851460728 [1,0,0,1,0,0|2,0,0]=4 1541 B9R1.119 COC1(CCC1)C(=O)Cl MCULE-2970127433 [1,0,0,1,0,0|2,0,0]=4 1542 B9R1.119 COC1(CCC1)C(=O)O MCULE-5969292821 [1,0,0,1,0,0|1,0,0]=3 1543 B9R1.119 COC1(CNC1)C(=O)O MCULE-2037277700 [1,0,0,1,0,0|2,0,0]=4 1544 B9R1.119 COC1(CNC1)C(=O)O MCULE-8524872732 [1,0,0,1,0,0|2,0,0]=4 1545 B9R1.119 CSC1(CCC1)C(=O)O MCULE-8804902018 [1,0,0,1,0,0|1,0,0]=3 1546 B9R1.119 N#CC1(CCC1)C(=O)O MCULE-3878444605 [1,0,0,1,0,0|1,0,1]=4 1547 B9R1.119 NC(=O)C1(CCC1)CO MCULE-9946184317 [1,0,0,1,0,0|2,0,0]=4 1548 B9R1.119 NCC1(CCC1)C(=O)N MCULE-9304292524 [1,0,0,1,0,0|2,0,0]=4 1549 B9R1.119 NCC1(CCC1)C(=O)O MCULE-3914754838 [1,0,0,1,0,0|1,0,0]=3 1550 B9R1.119 NCC1(CCC1)C(=O)O MCULE-4280814319 [1,0,0,1,0,0|1,0,0]=3 1551 B9R1.119 O=C(O)C1(CCC1)CBr MCULE-5543146509 [1,0,0,1,0,0|1,0,0]=3 1552 B9R1.119 O=C(O)C1(CCC1)CF MCULE-5485073729 [1,0,0,1,0,0|1,0,0]=3 1553 B9R1.119 O=C(O)C1(CCC1)CO MCULE-3232370055 [1,0,0,1,0,0|1,0,0]=3 1554 B9R1.119 O=C(O)C1(CNC1)CF MCULE-5137140836 [1,0,0,1,0,0|2,0,0]=4 1555 B9R1.119 O=C(O)C1(CNC1)CF MCULE-7308600698 [1,0,0,1,0,0|2,0,0]=4 1556 B9R1.119 O=C(O)C1(COC1)CBr MCULE-4458668966 [1,0,0,1,0,0|2,0,0]=4 1557 B9R1.119 O=C(O)C1(COC1)CF MCULE-2717237905 [1,0,0,1,0,0|2,0,0]=4 1558 B9R1.119 O=C(O)C1(COC1)CO MCULE-8517233263 [1,0,0,1,0,0|2,0,0]=4 1559 B9R1.130 CC1CC1(C#N)C(=O)O MCULE-4083324671 [1,0,0,1,0,0|1,0,1]=4 1560 B9R1.130 CC[C@]1(C[C@@H]1F)C(=O)O MCULE-7765739144 [1,0,0,1,0,0|1,0,0]=3 1561 B9R1.130 CC[C@]1(C[C@H]1F)C(=O)O MCULE-6558255104 [1,0,0,1,0,0|1,0,0]=3 1562 B9R1.130 CC[C@]1(C[C@H]1F)C(=O)O MCULE-9949603359 [1,0,0,1,0,0|1,0,0]=3 1563 B9R1.179 C=CCC1(CC1)C(=O)O MCULE-9984484632 [1,0,0,1,0,0|0,0,2]=4 1564 B9R1.179 CCCC1(CC1)C(=O)O MCULE-3737695448 [1,0,0,1,0,0|0,0,0]=2 1565 B9R1.179 CCOC1(CC1)C(=O)O MCULE-2011368943 [1,0,0,1,0,0|1,0,0]=3 1566 B9R1.179 CCSC1(CC1)C(=O)O MCULE-1424616643 [1,0,0,1,0,0|1,0,0]=3 1567 B9R1.179 CNCC1(CC1)C(=O)O MCULE-4156653448 [1,0,0,1,0,0|1,0,0]=3 1568 B9R1.179 CNCC1(CC1)C(=O)O MCULE-7565142951 [1,0,0,1,0,0|1,0,0]=3 1569 B9R1.179 COCC1(CC1)C(=O)O MCULE-8440485105 [1,0,0,1,0,0|1,0,0]=3 1570 B9R1.179 N#CCC1(CC1)C(=O)O MCULE-4792635696 [1,0,0,1,0,0|1,0,1]=4 1571 B9R1.179 NCCC1(CC1)C(=O)O MCULE-1732909908 [1,0,0,1,0,0|1,0,0]=3 1572 B9R1.179 NCCC1(CC1)C(=O)O MCULE-7079307522 [1,0,0,1,0,0|1,0,0]=3 1573 B9R1.179 O=C(O)C1(CC1)CCCl MCULE-8895296339 [1,0,0,1,0,0|1,0,0]=3 1574 B9R1.179 O=C(O)C1(CC1)CCF MCULE-7598361699 [1,0,0,1,0,0|1,0,0]=3 1575 B9R1.179 O=C(O)C1(CC1)CCO MCULE-4706234979 [1,0,0,1,0,0|1,0,0]=3 1576 B9R1.2 C#CC1CCCC(C1)C MCULE-8256643054 [1,0,0,1,0,0|1,0,1]=4 1577 B9R1.2 C1(CCCN(C1)C)CO MCULE-7393298394 [1,0,0,1,0,0|1,0,1]=4 1578 B9R1.2 C=CC1CCCN(C1)C MCULE-3504057822 [1,0,0,1,0,0|2,0,0]=4 1579 B9R1.2 C=CC1CCCN(C1)C MCULE-6214803958 [1,0,0,1,0,0|2,0,0]=4 1580 B9R1.2 CC1C=C(CCC1)C=O MCULE-8149754044 [1,0,0,1,0,0|0,0,2]=4 1581 B9R1.2 CC1CC(CCO1)C=O MCULE-4627853236 [1,0,0,1,0,0|1,0,0]=3 1582 B9R1.2 CC1CC(CCO1)CO MCULE-1147018894 [1,0,0,1,0,0|1,0,1]=4 1583 B9R1.2 CC1CCCC(C1)C#N MCULE-1752931434 [1,0,0,1,0,0|1,0,1]=4 1584 B9R1.2 CC1CCCC(C1)C=O MCULE-8003239715 [1,0,0,1,0,0|0,0,0]=2 1585 B9R1.2 CC1CCCC(C1)CBr MCULE-4436738297 [1,0,0,1,0,0|1,0,1]=4 1586 B9R1.2 CC1CCCC(C1)CN MCULE-5692325071 [1,0,0,1,0,0|1,0,1]=4 1587 B9R1.2 CC1CCCC(C1)CO MCULE-5618525751 [1,0,0,1,0,0|0,0,1]=3 1588 B9R1.2 CC1CCCC(C1)NN MCULE-8101664650 [1,0,0,1,0,0|2,0,0]=4 1589 B9R1.2 CC1CCCC(C1)NN MCULE-8912578771 [1,0,0,1,0,0|2,0,0]=4 1590 B9R1.2 CC1CCCC(C1)NN MCULE-8960586966 [1,0,0,1,0,0|2,0,0]=4 1591 B9R1.2 CC1CCCC(N1)CO MCULE-1132392693 [1,0,0,1,0,0|1,0,1]=4 1592 B9R1.2 CC1CNCC(C1)CO MCULE-1604083581 [1,0,0,1,0,0|1,0,1]=4 1593 B9R1.2 CCC1CCCC(C1)C MCULE-6755768980 [1,0,0,1,0,0|1,0,1]=4 1594 B9R1.2 CN1CCCC(C1)C=O MCULE-8355946906 [1,0,0,1,0,0|1,0,0]=3 1595 B9R1.2 CN1CCCC(C1)CO MCULE-1489029640 [1,0,0,1,0,0|1,0,1]=4 1596 B9R1.2 CN1CCC[C@@H](C1)CO MCULE-7399583774 [1,0,0,1,0,0|1,0,1]=4 1597 B9R1.2 CN1CCC[C@@H](C1)CO MCULE-9308847454 [1,0,0,1,0,0|1,0,1]=4 1598 B9R1.2 CN1CCC[C@H](C1)CO MCULE-1288636914 [1,0,0,1,0,0|1,0,1]=4 1599 B9R1.2 CN1CCC[C@H](C1)CO MCULE-7586480861 [1,0,0,1,0,0|1,0,1]=4 1600 B9R1.2 CNC1CCCC(C1)C MCULE-5420065311 [1,0,0,1,0,0|2,0,0]=4 1601 B9R1.2 CNC1CCCC(C1)C MCULE-9367652439 [1,0,0,1,0,0|2,0,0]=4 1602 B9R1.2 C[C@@H]1C[C@@H](CCN1)CO MCULE-8058559032 [1,0,0,1,0,0|1,0,1]=4 1603 B9R1.2 C[C@@H]1C[C@@H](CCN1)CO MCULE-9351987850 [1,0,0,1,0,0|1,0,1]=4 1604 B9R1.2 NC1CCCC(C1)CO MCULE-1724466395 [1,0,0,1,0,0|1,0,1]=4 1605 B9R1.2 NC1CCCC(C1)CO MCULE-8087216563 [1,0,0,1,0,0|1,0,1]=4 1606 B9R1.2 N[C@@H]1CCC[C@@H](C1)CO MCULE-1617324917 [1,0,0,1,0,0|1,0,1]=4 1607 B9R1.2 N[C@@H]1CCC[C@@H](C1)CO MCULE-8272213010 [1,0,0,1,0,0|1,0,1]=4 1608 B9R1.2 N[C@@H]1CCC[C@H](C1)CO MCULE-2296534416 [1,0,0,1,0,0|1,0,1]=4 1609 B9R1.2 N[C@@H]1CCC[C@H](C1)CO MCULE-5952407491 [1,0,0,1,0,0|1,0,1]=4 1610 B9R1.2 N[C@@H]1CCC[C@H](C1)CO MCULE-6614147143 [1,0,0,1,0,0|1,0,1]=4 1611 B9R1.2 N[C@H]1CCC[C@@H](C1)CO MCULE-2015163295 [1,0,0,1,0,0|1,0,1]=4 1612 B9R1.2 N[C@H]1CCC[C@@H](C1)CO MCULE-3293475931 [1,0,0,1,0,0|1,0,1]=4 1613 B9R1.2 N[C@H]1CCC[C@H](C1)CO MCULE-1868841620 [1,0,0,1,0,0|1,0,1]=4 1614 B9R1.2 N[C@H]1CCC[C@H](C1)CO MCULE-6949082967 [1,0,0,1,0,0|1,0,1]=4 1615 B9R1.2 N[C@H]1CCC[C@H](C1)CO MCULE-9275476449 [1,0,0,1,0,0|1,0,1]=4 1616 B9R1.2 O=CC1CCNC(C1)Br MCULE-8861349259 [1,0,0,1,0,0|2,0,0]=4 1617 B9R1.8 BrCCC1CCCOC1 MCULE-5741308473 [1,0,0,1,0,0|1,0,1]=4 1618 B9R1.8 CCCC1CCCCC1 MCULE-7477053795 [1,0,0,1,0,0|1,0,1]=4 1619 B9R1.8 CCCC1CCCCN1 MCULE-1476155918 [1,0,0,1,0,0|2,0,0]=4 1620 B9R1.8 CCCC1CCCCN1 MCULE-1672724119 [1,0,0,1,0,0|2,0,0]=4 1621 B9R1.8 CCCC1CCCCN1 MCULE-5635587568 [1,0,0,1,0,0|2,0,0]=4 1622 B9R1.8 CCCC1CCCCN1 MCULE-7901233025 [1,0,0,1,0,0|2,0,0]=4 1623 B9R1.8 CCCC1CCCCN1 MCULE-8248346628 [1,0,0,1,0,0|2,0,0]=4 1624 B9R1.8 CCCC1CCCNC1 MCULE-4630550411 [1,0,0,1,0,0|1,0,1]=4 1625 B9R1.8 CCCC1CCCNC1 MCULE-6458267050 [1,0,0,1,0,0|1,0,1]=4 1626 B9R1.8 CCCC1COCCN1 MCULE-4391950653 [1,0,0,1,0,0|1,0,1]=4 1627 B9R1.8 CCC[C@@H]1CCCCN1 MCULE-6770891257 [1,0,0,1,0,0|2,0,0]=4 1628 B9R1.8 CCC[C@@H]1CCCCN1 MCULE-7954142000 [1,0,0,1,0,0|2,0,0]=4 1629 B9R1.8 CCC[C@H]1CCCCN1 MCULE-2517558052 [1,0,0,1,0,0|2,0,0]=4 1630 B9R1.8 CCC[C@H]1CCCCN1 MCULE-8255238091 [1,0,0,1,0,0|2,0,0]=4 1631 B9R1.8 CCC[C@H]1CCCCN1 MCULE-8429691236 [1,0,0,1,0,0|2,0,0]=4 1632 B9R1.8 CCC[C@H]1CCCCN1 MCULE-9434683135 [1,0,0,1,0,0|2,0,0]=4 1633 B9R1.8 CCNC1CCCOC1 MCULE-5265086206 [1,0,0,1,0,0|1,0,1]=4 1634 B9R1.8 CCNC1CCCOC1 MCULE-6797333075 [1,0,0,1,0,0|1,0,1]=4 1635 B9R1.8 CNCC1CCCOC1 MCULE-5011038425 [1,0,0,1,0,0|1,0,1]=4 1636 B9R1.8 CNCC1CCCOC1 MCULE-7542618002 [1,0,0,1,0,0|1,0,1]=4 1637 B9R1.8 CNC[C@H]1CCCOC1 MCULE-5780813168 [1,0,0,1,0,0|1,0,1]=4 1638 B9R1.8 CNC[C@H]1CCCOC1 MCULE-6139348870 [1,0,0,1,0,0|1,0,1]=4 1639 B9R1.8 NCCC1C=CCCC1 MCULE-9825958353 [1,0,0,1,0,0|2,0,0]=4 1640 B9R1.8 NCCC1CCCOC1 MCULE-6749080914 [1,0,0,1,0,0|1,0,1]=4 1641 B9R1.8 OCCC1C=CCCC1 MCULE-4423636846 [1,0,0,1,0,0|2,0,0]=4 1642 B9R1.8 OCCC1CCCOC1 MCULE-3721207963 [1,0,0,1,0,0|1,0,1]=4 1643 B9R1.14 CCC1CCCC1CN MCULE-1703862248 [1,0,0,1,0,0|1,0,1]=4 1644 B9R1.14 CCC1CNCC1CO MCULE-2035722014 [1,0,0,1,0,0|1,0,1]=4 1645 B9R1.14 CCC1NCCC1CO MCULE-7281322099 [1,0,0,1,0,0|1,0,1]=4 1646 B9R1.14 CCN1CCCC1CO MCULE-6449869915 [1,0,0,1,0,0|1,0,1]=4 1647 B9R1.14 CCN1CCC[C@@H]1CO MCULE-3480163864 [1,0,0,1,0,0|1,0,1]=4 1648 B9R1.14 CCN1CCC[C@H]1CO MCULE-1120119069 [1,0,0,1,0,0|1,0,1]=4 1649 B9R1.14 CCN1CCC[C@H]1CO MCULE-6346417572 [1,0,0,1,0,0|1,0,1]=4 1650 B9R1.14 CC[C@H]1CNC[C@@H]1CO MCULE-1076286750 [1,0,0,1,0,0|1,0,1]=4 1651 B9R1.14 CC[C@H]1CNC[C@@H]1CO MCULE-9319128709 [1,0,0,1,0,0|1,0,1]=4 1652 B9R1.14 COC1CCCN1C=O MCULE-2657686796 [1,0,0,1,0,0|2,0,0]=4 1653 B9R1.14 O=CN1CCC[C@H]1CO MCULE-9305304920 [1,0,0,1,0,0|2,0,0]=4 1654 B9R1.89 BrCC1CCCCCC1 MCULE-3804149088 [1,0,0,1,0,0|1,0,1]=4 1655 B9R1.89 C#CC1CCCCCC1 MCULE-7810681377 [1,0,0,1,0,0|1,0,1]=4 1656 B9R1.89 CNC1CCCCCC1 MCULE-3477928342 [1,0,0,1,0,0|2,0,0]=4 1657 B9R1.89 CNC1CCCCCC1 MCULE-9182986806 [1,0,0,1,0,0|2,0,0]=4 1658 B9R1.89 N#CC1CCCCCC1 MCULE-4572641162 [1,0,0,1,0,0|1,0,1]=4 1659 B9R1.89 NCC1CCCCCC1 MCULE-6071072186 [1,0,0,1,0,0|1,0,1]=4 1660 B9R1.89 NCC1CCCCCC1 MCULE-8981470928 [1,0,0,1,0,0|1,0,1]=4 1661 B9R1.89 NNC1CCCCCC1 MCULE-1821259900 [1,0,0,1,0,0|2,0,0]=4 1662 B9R1.89 NNC1CCCCCC1 MCULE-6325204009 [1,0,0,1,0,0|2,0,0]=4 1663 B9R1.89 NNC1CCCCCC1 MCULE-7894671218 [1,0,0,1,0,0|2,0,0]=4 1664 B9R1.89 O=CC1=CCCCCC1 MCULE-8414068028 [1,0,0,1,0,0|0,0,2]=4 1665 B9R1.89 O=CC1CCCCCC1 MCULE-2750232256 [1,0,0,1,0,0|0,0,0]=2 1666 B9R1.89 O=CC1CCCOCC1 MCULE-9140244119 [1,0,0,1,0,0|1,0,0]=3 1667 B9R1.89 O=CC1COCCOC1 MCULE-8006105385 [1,0,0,1,0,0|2,0,0]=4 1668 B9R1.89 O=CN1CCCCCC1 MCULE-9803587111 [1,0,0,1,0,0|1,0,0]=3 1669 B9R1.89 O=CN1CCCNCC1 MCULE-3436524888 [1,0,0,1,0,0|2,0,0]=4 1670 B9R1.89 O=NN1CCCCCC1 MCULE-7303533834 [1,0,0,1,0,0|2,0,0]=4 1671 B9R1.89 OCC1CCCCCC1 MCULE-1749370417 [1,0,0,1,0,0|0,0,1]=3 1672 B9R1.89 OCC1CCCCCC1 MCULE-2629813419 [1,0,0,1,0,0|0,0,1]=3 1673 B9R1.89 OCC1CCCCCN1 MCULE-1586506984 [1,0,0,1,0,0|1,0,1]=4 1674 B9R1.89 OCC1CCCCNC1 MCULE-1649629703 [1,0,0,1,0,0|1,0,1]=4 1675 B9R1.89 OCC1CCCCNC1 MCULE-6297064506 [1,0,0,1,0,0|1,0,1]=4 1676 B9R1.89 OCC1CCCNCC1 MCULE-1276268438 [1,0,0,1,0,0|1,0,1]=4 1677 B9R1.89 OCC1CCCNCC1 MCULE-6937244427 [1,0,0,1,0,0|1,0,1]=4 1678 B9R1.89 OC[C@@H]1CCCCCN1 MCULE-3068262302 [1,0,0,1,0,0|1,0,1]=4 1679 B9R1.89 ON=C1CCCCCC1 MCULE-4992018002 [1,0,0,1,0,0|1,0,1]=4 1680 B9R1.175 CCCC1(CCC1)C#N MCULE-7405367679 [1,0,0,1,0,0|1,0,1]=4 1681 B9R1.175 CCCC1(CCC1)CN MCULE-2132179760 [1,0,0,1,0,0|1,0,1]=4 1682 B9R1.175 CCCC1(CCC1)CN MCULE-8817838813 [1,0,0,1,0,0|1,0,1]=4 1683 B9R1.175 CCOC1(CCC1)CO MCULE-5994146618 [1,0,0,1,0,0|1,0,1]=4 1684 B9R1.175 CNCC1(CCC1)CO MCULE-4150646464 [1,0,0,1,0,0|1,0,1]=4 1685 B9R1.175 CNCC1(CCC1)CO MCULE-4317031982 [1,0,0,1,0,0|1,0,1]=4 1686 B9R1.175 COCC1(CCC1)C=O MCULE-3458719586 [1,0,0,1,0,0|1,0,0]=3 1687 B9R1.175 COCC1(CCC1)CO MCULE-5051381024 [1,0,0,1,0,0|1,0,1]=4 1688 B9R1.175 NCCC1(CCC1)CO MCULE-9907628658 [1,0,0,1,0,0|1,0,1]=4 1689 B9R1.182 CCCC1(CO1)CCC MCULE-1598752600 [1,0,0,1,0,0|0,0,1]=3 1690 B11R1.34 CCCC1CC(=O)C=C(C1)C MCULE-9861301536 [0,0,0,1,0,1|1,0,1]=4 1691 B11R1.34 CCC[C@H]1CC(=O)C=C(C1)C MCULE-7174333293 [0,0,0,1,0,1|1,0,1]=4 1692 B11R1.57 C=CC1CCCC1CC(=O)O MCULE-4540266032 [0,0,0,1,0,1|0,0,2]=4 1693 B11R1.57 O=C(O)CN1CCCC1CBr MCULE-5679582185 [0,0,0,1,0,1|2,0,0]=4 1694 B11R1.57 O=C(O)CN1CCCC1CCl MCULE-2614095966 [0,0,0,1,0,1|2,0,0]=4 1695 B11R1.57 O=C(O)CN1CCCC1CI MCULE-2547746402 [0,0,0,1,0,1|2,0,0]=4 1696 B11R1.57 O=C(O)CN1CCCC1CO MCULE-9577753530 [0,0,0,1,0,1|2,0,0]=4 1697 B11R1.57 O=C(O)CN1CCC[C@H]1CO MCULE-1472111718 [0,0,0,1,0,1|2,0,0]=4 1698 B11R1.110 NCCC1CCCCC(=O)N1 MCULE-2147581863 [0,0,0,1,0,1|2,0,0]=4 1699 B11R1.110 NCCC1CCCCC(=O)N1 MCULE-8292359667 [0,0,0,1,0,1|2,0,0]=4 1700 B11R1.157 CC(=O)CN1CCCC(C1)C MCULE-9981826384 [0,0,0,1,0,1|2,0,0]=4 1701 B11R1.157 CC1CCCC(C1)CC(=O)O MCULE-8177394227 [0,0,0,1,0,1|0,0,0]=2 1702 B11R1.157 CC1CCCN(C1)CC(=O)O MCULE-6740436113 [0,0,0,1,0,1|1,0,0]=3 1703 B11R1.157 CC1CCCN(C1)CC(=O)O MCULE-8756904184 [0,0,0,1,0,1|1,0,0]=3 1704 B11R1.157 CC1CCNC(C1)CC(=O)O MCULE-5716034877 [0,0,0,1,0,1|1,0,0]=3 1705 B11R1.157 CC1CNCC(C1)CC(=O)O MCULE-1750389348 [0,0,0,1,0,1|1,0,0]=3 1706 B11R1.157 CC1CNCC(C1)CC(=O)O MCULE-3483420567 [0,0,0,1,0,1|1,0,0]=3 1707 B11R1.157 CN1CCCC(C1)CC(=O)O MCULE-3307095078 [0,0,0,1,0,1|1,0,0]=3 1708 B11R1.157 CN1CCCC(C1)CC(=O)O MCULE-6317011723 [0,0,0,1,0,1|1,0,0]=3 1709 B11R1.157 NC1CCOC(C1)CC(=O)O MCULE-1365112311 [0,0,0,1,0,1|2,0,0]=4 1710 B11R1.157 NC1CCOC(C1)CC(=O)O MCULE-9509541900 [0,0,0,1,0,1|2,0,0]=4 1711 B11R1.157 O=C(O)CC1CCCC(=O)C1 MCULE-2070450942 [0,0,0,1,0,1|1,0,1]=4 1712 B11R1.157 O=C(O)CN1CCCC(C1)Br MCULE-2565385665 [0,0,0,1,0,1|2,0,0]=4 1713 B11R1.157 O=C(O)CN1CCCC(C1)Cl MCULE-9457969876 [0,0,0,1,0,1|2,0,0]=4 1714 B11R1.157 O=C(O)CN1CCCC(C1)I MCULE-1878633684 [0,0,0,1,0,1|2,0,0]=4 1715 B11R1.157 O=C(O)CN1CCCC(C1)O MCULE-4186047458 [0,0,0,1,0,1|2,0,0]=4 1716 B11R1.157 O=C(O)CN1CCC[C@@H](C1)O MCULE-3402932405 [0,0,0,1,0,1|2,0,0]=4 1717 B11R1.157 O=C(O)CN1CCC[C@H](C1)O MCULE-4870964189 [0,0,0,1,0,1|2,0,0]=4 1718 B11R1.193 CCCC1CCCC1C(=O)O MCULE-1492543766 [0,0,0,1,0,1|0,0,0]=2 1719 B11R1.193 CCCC1CCNC1C(=O)O MCULE-3288508053 [0,0,0,1,0,1|1,0,0]=3 1720 B11R1.193 CCCC1CCNC1C(=O)O MCULE-8057933085 [0,0,0,1,0,1|1,0,0]=3 1721 B11R1.193 CCCN1CCCC1C(=O)O MCULE-8751998851 [0,0,0,1,0,1|1,0,0]=3 1722 B11R1.193 CCCN1CCC[C@H]1C(=O)O MCULE-2240941812 [0,0,0,1,0,1|1,0,0]=3 1723 B11R1.193 CCCN1CCC[C@H]1C(=O)O MCULE-4921696951 [0,0,0,1,0,1|1,0,0]=3 1724 B11R1.193 CNCC1CCCN1C(=O)C MCULE-3584683470 [0,0,0,1,0,1|2,0,0]=4 1725 B11R1.193 CNC[C@@H]1CCCN1C(=O)C MCULE-2334999714 [0,0,0,1,0,1|2,0,0]=4 1726 B11R1.193 O=C(O)C1CNCC1CCO MCULE-3831742896 [0,0,0,1,0,1|2,0,0]=4 1727 B11R1.742 C=C(C)CC1CCCCCC1 MCULE-6590200380 [0,0,0,1,0,1|2,0,0]=4 1728 B11R1.742 CC(=O)CC1CCCCCN1 MCULE-2355996760 [0,0,0,1,0,1|2,0,0]=4 1729 B11R1.742 CC(=O)CN1CCCCCC1 MCULE-5319693118 [0,0,0,1,0,1|2,0,0]=4 1730 B11R1.742 CC(=O)CN1CCCCCC1 MCULE-8763178253 [0,0,0,1,0,1|2,0,0]=4 1731 B11R1.742 CC(=O)NC1CCCCCC1 MCULE-3697459369 [0,0,0,1,0,1|1,0,0]=3 1732 B11R1.742 N=C(N)NC1CCCCCC1 MCULE-1664678210 [0,0,0,1,0,1|2,0,0]=4 1733 B11R1.742 N=C(N)NC1CCCCCC1 MCULE-4607928506 [0,0,0,1,0,1|2,0,0]=4 1734 B11R1.742 NC(=O)CN1CCCCCC1 MCULE-5945622165 [0,0,0,1,0,1|2,0,0]=4 1735 B11R1.742 NC(=O)NC1CCCCCC1 MCULE-7737326688 [0,0,0,1,0,1|1,0,0]=3 1736 B11R1.742 NC(=S)NC1CCCCCC1 MCULE-1359160421 [0,0,0,1,0,1|1,1,0]=4 1737 B11R1.742 O=C(O)C=C1CCCCCC1 MCULE-5228387881 [0,0,0,1,0,1|0,0,1]=3 1738 B11R1.742 O=C(O)CC1CCC=CCC1 MCULE-8122130448 [0,0,0,1,0,1|0,0,2]=4 1739 B11R1.742 O=C(O)CC1CCCCCC1 MCULE-3247091796 [0,0,0,1,0,1|0,0,0]=2 1740 B11R1.742 O=C(O)CC1CCCNCC1 MCULE-1259156999 [0,0,0,1,0,1|1,0,0]=3 1741 B11R1.742 O=C(O)CC1CCCNCC1 MCULE-8862658650 [0,0,0,1,0,1|1,0,0]=3 1742 B11R1.742 O=C(O)CC1CCCOCC1 MCULE-7663320476 [0,0,0,1,0,1|1,0,0]=3 1743 B11R1.742 O=C(O)CN1CCCCCC1 MCULE-1178025352 [0,0,0,1,0,1|1,0,0]=3 1744 B11R1.742 O=C(O)CN1CCCCCC1 MCULE-1252489424 [0,0,0,1,0,1|1,0,0]=3 1745 B11R1.742 O=C(O)CN1CCCNCC1 MCULE-7410717770 [0,0,0,1,0,1|2,0,0]=4 1746 B11R1.742 O=C(O)CN1CCCNCC1 MCULE-8199207666 [0,0,0,1,0,1|2,0,0]=4 1747 B11R1.74 CC(=O)C1CC(CC(C1)C)C MCULE-3304279258 [0,1,0,1,0,0|1,0,0]=3 1748 B11R1.74 CC1CC(CC(C1)C(=O)O)C MCULE-4414065035 [0,1,0,1,0,0|0,0,0]=2 1749 B11R1.74 CC1CC(CC(O1)C)C(=O)O MCULE-8718069513 [0,1,0,1,0,0|0,0,0]=2 1750 B11R1.74 CC1CN(CC(O1)C(=O)O)C MCULE-1120383485 [0,1,0,1,0,0|2,0,0]=4 1751 B11R1.74 CC1CN(CC(O1)C(=O)O)C MCULE-4331152110 [0,1,0,1,0,0|2,0,0]=4 1752 B11R1.74 C[C@@H]1CC(C[C@@H](C1)C)C(=O)O MCULE-8476320504 [0,1,0,1,0,0|0,0,0]=2 1753 B11R1.74 C[C@@H]1C[C@@H](C[C@@H](C1)C)C(=O)O MCULE-7313940085 [0,1,0,1,0,0|0,0,0]=2 1754 B11R1.74 C[C@H]1CC(C[C@H](N1)C)C(=O)O MCULE-2237943409 [0,1,0,1,0,0|0,0,0]=2 1755 B11R1.74 C[C@H]1CC(C[C@H](N1)C)C(=O)O MCULE-4813276637 [0,1,0,1,0,0|0,0,0]=2 1756 B11R1.74 C[C@H]1CC(C[C@H](O1)C)C(=O)O MCULE-3337799083 [0,1,0,1,0,0|0,0,0]=2 1757 B11R1.74 C[C@H]1CN(C[C@H](O1)C)C(=O)Cl MCULE-7854438558 [0,1,0,1,0,0|2,0,0]=4 1758 B11R1.86 CC(=O)CC1CCCCC1=O MCULE-3575915774 [0,1,0,1,0,0|1,0,1]=4 1759 B11R1.86 CC(C)CC1CCCCC1O MCULE-5256349727 [0,1,0,1,0,0|1,0,1]=4 1760 B11R1.86 CC(C)CC1NCCNC1=O MCULE-3430905518 [0,1,0,1,0,0|2,0,0]=4 1761 B11R1.86 CC(C)CN1CCCCC1=O MCULE-9241165779 [0,1,0,1,0,0|2,0,0]=4 1762 B11R1.86 CN(C)CC1CCCCC1=O MCULE-2290738401 [0,1,0,1,0,0|2,0,0]=4 1763 B11R1.86 C[NH+](C)CC1CCCCC1=O MCULE-7035082192 [0,1,0,1,0,0|2,0,0]=4 1764 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-1813411528 [0,1,0,1,0,0|1,0,1]=4 1765 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-9022800854 [0,1,0,1,0,0|1,0,1]=4 1766 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-1405603447 [0,1,0,1,0,0|1,0,1]=4 1767 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-9216589773 [0,1,0,1,0,0|1,0,1]=4 1768 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-1169221802 [0,1,0,1,0,0|1,0,1]=4 1769 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-9915147289 [0,1,0,1,0,0|1,0,1]=4 1770 B11R1.178 CC(C)C1CNCC1C(=O)O MCULE-5419643735 [0,1,0,1,0,0|1,0,0]=3 1771 B11R1.178 CC(C)C1CNCC1C(=O)O MCULE-7569761775 [0,1,0,1,0,0|1,0,0]=3 1772 B11R1.178 CC(C)C1NCCC1C(=O)O MCULE-6302830859 [0,1,0,1,0,0|1,0,0]=3 1773 B11R1.178 CC(C)C1NCCC1C(=O)O MCULE-8242793194 [0,1,0,1,0,0|1,0,0]=3 1774 B11R1.178 CC(C)N1CCCC1C(=O)N MCULE-4454222423 [0,1,0,1,0,0|2,0,0]=4 1775 B11R1.178 CC(C)N1CCCC1C(=O)O MCULE-2119413242 [0,1,0,1,0,0|1,0,0]=3 1776 B11R1.178 CC(C)N1CCCC1C(=O)O MCULE-6929026583 [0,1,0,1,0,0|1,0,0]=3 1777 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)O MCULE-8319338511 [0,1,0,1,0,0|1,0,0]=3 1778 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)O MCULE-8583036106 [0,1,0,1,0,0|1,0,0]=3 1779 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O MCULE-7602604909 [0,1,0,1,0,0|1,0,0]=3 1780 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O MCULE-9348214683 [0,1,0,1,0,0|1,0,0]=3 1781 B11R1.178 CC(C)[C@H]1CNC[C@@H]1C(=O)O MCULE-1469912477 [0,1,0,1,0,0|1,0,0]=3 1782 B11R1.178 CC(C)[C@H]1CNC[C@@H]1C(=O)O MCULE-2313554686 [0,1,0,1,0,0|1,0,0]=3 1783 B11R1.178 CC(C)[C@H]1CNC[C@@H]1C(=O)O MCULE-7557854435 [0,1,0,1,0,0|1,0,0]=3 1784 B11R1.178 CC(C)[C@H]1CNC[C@@H]1C(=O)O MCULE-8561355438 [0,1,0,1,0,0|1,0,0]=3 1785 B11R1.178 CC(C)[C@H]1CNC[C@@H]1C(=O)O MCULE-9451071180 [0,1,0,1,0,0|1,0,0]=3 1786 B11R1.178 O=C(O)C1CCCC1C(=O)O MCULE-1370613174 [0,1,0,1,0,0|1,0,1]=4 1787 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-5772739452 [0,1,0,1,0,0|1,0,1]=4 1788 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-6923663809 [0,1,0,1,0,0|1,0,1]=4 1789 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O MCULE-2898188373 [0,1,0,1,0,0|1,0,1]=4 1790 B11R1.182 CCCC1CN(CCC1=O)C MCULE-2190429302 [0,1,0,1,0,0|2,0,0]=4 1791 B11R1.184 CC1(CC(C(=O)N1)CCBr)C MCULE-8648945257 [0,1,0,1,0,0|2,0,0]=4 1792 B11R1.184 CC1(OC(=O)[C@@H](O1)CCO)C MCULE-3850668628 [0,1,0,1,0,0|2,0,0]=4 1793 B11R1.497 CC(=O)C1CCCCC(=O)C1 MCULE-8090726810 [0,1,0,1,0,0|1,0,1]=4 1794 B11R1.497 CN1CCNCC(C1)C(=O)N MCULE-4062902352 [0,1,0,1,0,0|2,0,0]=4 1795 B11R1.497 NC1CCCCC(C1)C(=O)O MCULE-6764464855 [0,1,0,1,0,0|0,0,0]=2 1796 B11R1.497 O=C(O)C1CCCCC(C1)O MCULE-8775414897 [0,1,0,1,0,0|0,0,0]=2 1797 B11R1.497 O=C1CCCCC(C1)C(=O)O MCULE-7646723801 [0,1,0,1,0,0|0,0,1]=3 1798 B11R1.497 O=C1CCCCC(N1)C(=O)O MCULE-3462654668 [0,1,0,1,0,0|1,0,1]=4 1799 B11R1.596 CCCN1C(=O)CC1C(=O)O MCULE-3045055027 [0,1,0,1,0,0|1,0,1]=4 1800 B11R1.645 CC(C)CC1CC(=O)OC1=O MCULE-5567066644 [0,1,0,1,0,0|1,0,1]=4 1801 B11R1.645 CC(O)CN1CC(OC1=O)C MCULE-2947492543 [0,1,0,1,0,0|1,0,0]=3 1802 B11R1.730 CC(=O)C1CCOC(C1)(C)C MCULE-6929681629 [0,1,0,1,0,0|2,0,0]=4 1803 B11R1.730 CC1(CC(CCN1)C(=O)O)C MCULE-8159392480 [0,1,0,1,0,0|1,0,0]=3 1804 B11R1.730 CC1(CC(CCO1)C(=O)Cl)C MCULE-1487251101 [0,1,0,1,0,0|2,0,0]=4 1805 B11R1.730 CC1(CC(CCO1)C(=O)O)C MCULE-5978480117 [0,1,0,1,0,0|1,0,0]=3 1806 B11R1.730 CC1(CCC=C(C1)C(=O)O)C MCULE-7732020212 [0,1,0,1,0,0|0,0,2]=4 1807 B11R1.730 CC1(CCCC(C1)C(=O)O)C MCULE-1597122526 [0,1,0,1,0,0|0,0,0]=2 1808 B11R1.730 CC1(CCCC(C1)N(=O)=O)C MCULE-7126787436 [0,1,0,1,0,0|1,0,1]=4 1809 B11R1.730 CC1(CCCC(O1)C(=O)O)C MCULE-6134883479 [0,1,0,1,0,0|1,0,0]=3 1810 B11R1.730 CC1(CCCN(C1)C(=O)Cl)C MCULE-7087297832 [0,1,0,1,0,0|2,0,0]=4 1811 B11R1.730 CC1(CCNC(C1)C(=O)O)C MCULE-1186852121 [0,1,0,1,0,0|1,0,0]=3 1812 B11R1.730 CC1(CCNC(C1)C(=O)O)C MCULE-5031883785 [0,1,0,1,0,0|1,0,0]=3 1813 B11R1.730 CC1(CNCC(O1)C(=O)O)C MCULE-3850941228 [0,1,0,1,0,0|2,0,0]=4 1814 B11R1.730 CC1(CNCC(O1)C(=O)O)C MCULE-4368873526 [0,1,0,1,0,0|2,0,0]=4 1815 B11R1.730 CC1(COCC(N1)C(=O)O)C MCULE-9878578908 [0,1,0,1,0,0|2,0,0]=4 1816 B11R1.730 CC1(COCC(O1)C(=O)O)C MCULE-8209803482 [0,1,0,1,0,0|2,0,0]=4 1817 B11R1.730 O=C(O)C1CC(CCN1)(F)F MCULE-2772004848 [0,1,0,1,0,0|2,0,0]=4 1818 B11R1.730 O=C(O)C1CC(CCN1)(F)F MCULE-5000214371 [0,1,0,1,0,0|2,0,0]=4 1819 B11R1.730 O=C(O)C1CCCC(C1)(F)F MCULE-2685730195 [0,1,0,1,0,0|1,0,0]=3 1820 B11R1.730 O=C(O)C1CCCS(=O)(=O)C1 MCULE-2941931058 [0,1,0,1,0,0|2,0,0]=4 1821 B11R1.730 O=C(O)C1CNCC(C1)(F)F MCULE-1061763206 [0,1,0,1,0,0|2,0,0]=4 1822 B11R1.730 O=C(O)C1CNCC(C1)(F)F MCULE-4420284602 [0,1,0,1,0,0|2,0,0]=4 1823 B11R1.730 O=C(O)[C@@H]1CC(CCN1)(F)F MCULE-1496564772 [0,1,0,1,0,0|2,0,0]=4 1824 B11R1.730 O=C(O)[C@@H]1CC(CCN1)(F)F MCULE-5121648329 [0,1,0,1,0,0|2,0,0]=4 1825 B11R1.730 O=C(O)[C@@H]1CC(CCN1)(F)F MCULE-5853696607 [0,1,0,1,0,0|2,0,0]=4 1826 B11R1.730 O=C(O)[C@@H]1CC(CCN1)(F)F MCULE-8207836720 [0,1,0,1,0,0|2,0,0]=4 1827 B11R1.806 NCCC(NC1CC1)C(=O)N MCULE-3830784341 [0,1,0,1,0,0|2,0,0]=4 1828 B11R1.806 NCCC(NC1CC1)C(=O)O MCULE-1301904937 [0,1,0,1,0,0|1,0,0]=3 1829 B11R1.929 CC(=O)CC1(CCC1)C(=O)O MCULE-7740494752 [0,1,0,1,0,0|0,0,1]=3 1830 B11R1.929 CC(=O)NC1(CCC1)C(=O)O MCULE-6384958791 [0,1,0,1,0,0|1,0,1]=4 1831 B11R1.929 CC(C)CC1(CCC1)C(=O)O MCULE-3957124047 [0,1,0,1,0,0|0,0,0]=2 1832 B11R1.929 CC(C)CC1(COC1)C(=O)O MCULE-8636222041 [0,1,0,1,0,0|1,0,0]=3 1833 B11R1.929 CC(C)OC1(CCC1)C(=O)O MCULE-6262373745 [0,1,0,1,0,0|1,0,0]=3 1834 B11R1.929 CC(C)OC1(CNC1)C(=O)O MCULE-5844141906 [0,1,0,1,0,0|2,0,0]=4 1835 B11R1.929 CC(C)OC1(CNC1)C(=O)O MCULE-6278292197 [0,1,0,1,0,0|2,0,0]=4 1836 B11R1.929 O=C(O)C1(CCC1)CC(F)F MCULE-9734476572 [0,1,0,1,0,0|1,0,0]=3 1837 B11R1.929 O=C(O)CC1(CCC1)C(=O)O MCULE-5638680542 [0,1,0,1,0,0|1,0,1]=4 1838 B11R1.53 CCC1=C(CCCO1)C(=O)O MCULE-9099684173 [0,1,0,1,0,0|0,0,2]=4 1839 B11R1.53 CCC1CCCCC1C(=O)O MCULE-7668550184 [0,1,0,1,0,0|0,0,0]=2 1840 B11R1.53 CCN1CCCCC1C(=O)O MCULE-4498923070 [0,1,0,1,0,0|1,0,0]=3 1841 B11R1.53 CCN1CCCCC1C(=O)O MCULE-7899898030 [0,1,0,1,0,0|1,0,0]=3 1842 B11R1.53 CCN1CCOCC1C(=O)N MCULE-4735060568 [0,1,0,1,0,0|2,0,0]=4 1843 B11R1.53 CCN1CCOCC1C(=O)O MCULE-5700522196 [0,1,0,1,0,0|1,0,0]=3 1844 B11R1.53 COC1CCCCC1C(=O)O MCULE-6019948868 [0,1,0,1,0,0|1,0,0]=3 1845 B11R1.53 NC(=O)[C@H]1CCCC[C@@H]1CO MCULE-2660751861 [0,1,0,1,0,0|2,0,0]=4 1846 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O MCULE-1165595049 [0,1,0,1,0,0|1,0,0]=3 1847 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O MCULE-4991619146 [0,1,0,1,0,0|1,0,0]=3 1848 B11R1.143 CN1CCCCCC1C(=O)O MCULE-2653542021 [0,1,0,1,0,0|1,0,0]=3 1849 B11R1.143 CN1CCCCCC1C(=O)O MCULE-3417099605 [0,1,0,1,0,0|1,0,0]=3 1850 B11R1.143 NC1CCCCCC1C(=O)O MCULE-8944650297 [0,1,0,1,0,0|0,0,0]=2 1851 B11R1.143 NC1CCCCCC1C(=O)O MCULE-9787960494 [0,1,0,1,0,0|0,0,0]=2 1852 B11R1.159 O=C(O)C1CCCC(C1=O)Br MCULE-3186177717 [0,1,0,1,0,0|1,0,1]=4 1853 B11R1.167 CN1CCN(C(C1)C(=O)O)C MCULE-6290479918 [0,1,0,1,0,0|2,0,0]=4 1854 B11R1.167 CN1CCN(C(C1)C(=O)O)C MCULE-8670086906 [0,1,0,1,0,0|2,0,0]=4 1855 B11R1.167 CN1CCN([C@@H](C1)C(=O)O)C MCULE-6955851048 [0,1,0,1,0,0|2,0,0]=4 1856 B11R1.167 CN1CCN([C@@H](C1)C(=O)O)C MCULE-7191641614 [0,1,0,1,0,0|2,0,0]=4 1857 B11R1.167 CN1CCN([C@H](C1)C(=O)O)C MCULE-3765574199 [0,1,0,1,0,0|2,0,0]=4 1858 B11R1.167 CN1CCN([C@H](C1)C(=O)O)C MCULE-6324425972 [0,1,0,1,0,0|2,0,0]=4 1859 B11R1.167 CN1CC[C@H]([C@@H](C1)C(=O)O)O MCULE-3460047813 [0,1,0,1,0,0|1,0,0]=3 1860 B11R1.222 CCC(=O)C1CCCCC1=O MCULE-7691762852 [0,1,0,1,0,0|1,0,1]=4 1861 B11R1.222 CCC(C)C1CCCCC1=O MCULE-3541906567 [0,1,0,1,0,0|1,0,0]=3 1862 B11R1.605 COCC1C(=O)CCCC1C MCULE-4444498649 [0,1,0,1,0,0|2,0,0]=4 1863 B11R1.879 CNC(=O)C1(CCC1)C(=O)O MCULE-7349915210 [0,1,0,1,0,0|1,0,1]=4 1864 B11R1.879 COC(=O)C1(CCC1)C(=O)O MCULE-6147727059 [0,1,0,1,0,0|1,0,1]=4 1865 B11R1.5 CCCC1CCCCNC1=O MCULE-1989909498 [0,1,0,1,0,0|1,0,0]=3 1866 B11R1.5 CCCN1CCCNCC1=O MCULE-8150823911 [0,1,0,1,0,0|2,0,0]=4 1867 B11R1.5 CCCN1CCNCCC1=O MCULE-1036321145 [0,1,0,1,0,0|2,0,0]=4 1868 B11R1.5 CCCN1CCNCCC1=O MCULE-8130444004 [0,1,0,1,0,0|2,0,0]=4 1869 B11R1.23 CC1CCCN(C1)C(=O)CCl MCULE-2884021236 [0,1,0,1,0,0|2,0,0]=4 1870 B11R1.23 CC1CCCN(C1)C(=O)CN MCULE-1718366416 [0,1,0,1,0,0|2,0,0]=4 1871 B11R1.23 CC1CCCN(C1)C(=O)CN MCULE-7465443178 [0,1,0,1,0,0|2,0,0]=4 1872 B11R1.23 CC1CCCN(C1)C(=O)CO MCULE-4805076313 [0,1,0,1,0,0|1,0,0]=3 1873 B11R1.23 CN1CCCC(C1)C(=O)NN MCULE-3371482980 [0,1,0,1,0,0|2,0,0]=4 1874 B11R1.23 CNC(=O)C1CNCC(C1)C MCULE-9576431849 [0,1,0,1,0,0|2,0,0]=4 1875 B11R1.23 CNC(=O)[C@H]1CCC[C@H](C1)N MCULE-5164231080 [0,1,0,1,0,0|2,0,0]=4 1876 B11R1.23 COC(=O)C1CC(CCN1)C MCULE-1457564964 [0,1,0,1,0,0|1,0,0]=3 1877 B11R1.23 COC(=O)C1CC(CCN1)C MCULE-2332457766 [0,1,0,1,0,0|1,0,0]=3 1878 B11R1.23 COC(=O)C1CC(CCN1)O MCULE-1497004684 [0,1,0,1,0,0|2,0,0]=4 1879 B11R1.23 COC(=O)C1CC(CCN1)O MCULE-7170666495 [0,1,0,1,0,0|2,0,0]=4 1880 B11R1.23 COC(=O)C1CCCC(=O)C1 MCULE-4326233018 [0,1,0,1,0,0|1,0,1]=4 1881 B11R1.23 COC(=O)C1CCCC(C1)C MCULE-4272190031 [0,1,0,1,0,0|0,0,0]=2 1882 B11R1.23 COC(=O)C1CCCC(C1)N MCULE-2634773813 [0,1,0,1,0,0|1,0,0]=3 1883 B11R1.23 COC(=O)C1CCCC(C1)N MCULE-5676579524 [0,1,0,1,0,0|1,0,0]=3 1884 B11R1.23 COC(=O)C1CCCC(C1)O MCULE-7531952837 [0,1,0,1,0,0|1,0,0]=3 1885 B11R1.23 COC(=O)C1CCCC(N1)C MCULE-7945233826 [0,1,0,1,0,0|1,0,0]=3 1886 B11R1.23 COC(=O)C1CCCN(C1)C MCULE-9564999871 [0,1,0,1,0,0|1,0,0]=3 1887 B11R1.23 COC(=O)C1CCNC(C1)C MCULE-1767850198 [0,1,0,1,0,0|1,0,0]=3 1888 B11R1.23 COC(=O)C1CCNC(C1)C MCULE-4654958614 [0,1,0,1,0,0|1,0,0]=3 1889 B11R1.23 COC(=O)C1CN(CCN1)C MCULE-4547246021 [0,1,0,1,0,0|2,0,0]=4 1890 B11R1.23 COC(=O)C1CN(CCN1)C MCULE-8755175940 [0,1,0,1,0,0|2,0,0]=4 1891 B11R1.23 COC(=O)C1CN(CCO1)C MCULE-2961200374 [0,1,0,1,0,0|2,0,0]=4 1892 B11R1.23 COC(=O)C1CNCC(C1)C MCULE-6792476382 [0,1,0,1,0,0|1,0,0]=3 1893 B11R1.23 COC(=O)C1CNCC(C1)C MCULE-7677037243 [0,1,0,1,0,0|1,0,0]=3 1894 B11R1.23 COC(=O)C1CNCC(C1)F MCULE-1891281041 [0,1,0,1,0,0|2,0,0]=4 1895 B11R1.23 COC(=O)C1CNCC(C1)O MCULE-8962874525 [0,1,0,1,0,0|2,0,0]=4 1896 B11R1.23 COC(=O)C1CNCC(C1)O MCULE-9903585063 [0,1,0,1,0,0|2,0,0]=4 1897 B11R1.23 COC(=O)C1COCC(C1)O MCULE-1450615868 [0,1,0,1,0,0|2,0,0]=4 1898 B11R1.23 COC(=O)C1COCC(N1)C MCULE-5531646699 [0,1,0,1,0,0|2,0,0]=4 1899 B11R1.23 COC(=O)N1CCCC(C1)N MCULE-9325390324 [0,1,0,1,0,0|2,0,0]=4 1900 B11R1.23 COC(=O)N1CCCC(C1)O MCULE-2922700960 [0,1,0,1,0,0|2,0,0]=4 1901 B11R1.23 COC(=O)[C@@H]1CCCC(=O)C1 MCULE-6640888029 [0,1,0,1,0,0|1,0,1]=4 1902 B11R1.23 COC(=O)[C@@H]1CCCN(C1)C MCULE-1258635616 [0,1,0,1,0,0|1,0,0]=3 1903 B11R1.23 COC(=O)[C@@H]1CCCN(C1)C MCULE-6613258400 [0,1,0,1,0,0|1,0,0]=3 1904 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)C MCULE-1409445255 [0,1,0,1,0,0|0,0,0]=2 1905 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)N MCULE-1032335921 [0,1,0,1,0,0|1,0,0]=3 1906 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)N MCULE-4186486646 [0,1,0,1,0,0|1,0,0]=3 1907 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)N MCULE-4922382608 [0,1,0,1,0,0|1,0,0]=3 1908 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)N MCULE-6734699447 [0,1,0,1,0,0|1,0,0]=3 1909 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)O MCULE-2826570915 [0,1,0,1,0,0|1,0,0]=3 1910 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](C1)O MCULE-5275681878 [0,1,0,1,0,0|1,0,0]=3 1911 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)N MCULE-2795807911 [0,1,0,1,0,0|1,0,0]=3 1912 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)N MCULE-4127929384 [0,1,0,1,0,0|1,0,0]=3 1913 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)N MCULE-4717498053 [0,1,0,1,0,0|1,0,0]=3 1914 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)N MCULE-9372091760 [0,1,0,1,0,0|1,0,0]=3 1915 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)O MCULE-1752010928 [0,1,0,1,0,0|1,0,0]=3 1916 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)O MCULE-3751397536 [0,1,0,1,0,0|1,0,0]=3 1917 B11R1.23 COC(=O)[C@@H]1CCN[C@@H](C1)C MCULE-1187786030 [0,1,0,1,0,0|1,0,0]=3 1918 B11R1.23 COC(=O)[C@@H]1CCN[C@@H](C1)C MCULE-1554892534 [0,1,0,1,0,0|1,0,0]=3 1919 B11R1.23 COC(=O)[C@@H]1CCN[C@@H](C1)C MCULE-5013221855 [0,1,0,1,0,0|1,0,0]=3 1920 B11R1.23 COC(=O)[C@@H]1CCN[C@@H](C1)C MCULE-9993392560 [0,1,0,1,0,0|1,0,0]=3 1921 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](O1)C MCULE-1023461283 [0,1,0,1,0,0|2,0,0]=4 1922 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](O1)C MCULE-8404158859 [0,1,0,1,0,0|2,0,0]=4 1923 B11R1.23 COC(=O)[C@@H]1C[C@@H](CCN1)O MCULE-1560155771 [0,1,0,1,0,0|2,0,0]=4 1924 B11R1.23 COC(=O)[C@@H]1C[C@@H](CCN1)O MCULE-4264457030 [0,1,0,1,0,0|2,0,0]=4 1925 B11R1.23 COC(=O)[C@@H]1C[C@@H](CCN1)O MCULE-6232000722 [0,1,0,1,0,0|2,0,0]=4 1926 B11R1.23 COC(=O)[C@@H]1C[C@@H](CCN1)O MCULE-8711787558 [0,1,0,1,0,0|2,0,0]=4 1927 B11R1.23 COC(=O)[C@@H]1C[C@H](CCN1)O MCULE-4467656117 [0,1,0,1,0,0|2,0,0]=4 1928 B11R1.23 COC(=O)[C@@H]1C[C@H](CCN1)O MCULE-5992101405 [0,1,0,1,0,0|2,0,0]=4 1929 B11R1.23 COC(=O)[C@@H]1C[C@H](CCN1)O MCULE-6317611644 [0,1,0,1,0,0|2,0,0]=4 1930 B11R1.23 COC(=O)[C@@H]1C[C@H](CCN1)O MCULE-6996533131 [0,1,0,1,0,0|2,0,0]=4 1931 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 MCULE-1252511775 [0,1,0,1,0,0|1,0,1]=4 1932 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)C MCULE-8236622513 [0,1,0,1,0,0|0,0,0]=2 1933 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)N MCULE-2543113082 [0,1,0,1,0,0|1,0,0]=3 1934 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)N MCULE-6222782588 [0,1,0,1,0,0|1,0,0]=3 1935 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)N MCULE-6374651784 [0,1,0,1,0,0|1,0,0]=3 1936 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)N MCULE-9189210669 [0,1,0,1,0,0|1,0,0]=3 1937 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)O MCULE-1036732191 [0,1,0,1,0,0|1,0,0]=3 1938 B11R1.23 COC(=O)[C@H]1CCC[C@@H](C1)O MCULE-7022445698 [0,1,0,1,0,0|1,0,0]=3 1939 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)N MCULE-1272125797 [0,1,0,1,0,0|1,0,0]=3 1940 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)N MCULE-3188707822 [0,1,0,1,0,0|1,0,0]=3 1941 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)N MCULE-4975583110 [0,1,0,1,0,0|1,0,0]=3 1942 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)N MCULE-8631497838 [0,1,0,1,0,0|1,0,0]=3 1943 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)O MCULE-2298116384 [0,1,0,1,0,0|1,0,0]=3 1944 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)O MCULE-4413710460 [0,1,0,1,0,0|1,0,0]=3 1945 B11R1.23 COC(=O)[C@H]1CCC[C@H](C1)O MCULE-9938371951 [0,1,0,1,0,0|1,0,0]=3 1946 B11R1.23 COC(=O)[C@H]1CCN[C@H](C1)C MCULE-3661641129 [0,1,0,1,0,0|1,0,0]=3 1947 B11R1.23 COC(=O)[C@H]1CCN[C@H](C1)C MCULE-4187055827 [0,1,0,1,0,0|1,0,0]=3 1948 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C1)C MCULE-5522834072 [0,1,0,1,0,0|1,0,0]=3 1949 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C1)C MCULE-7069305041 [0,1,0,1,0,0|1,0,0]=3 1950 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C1)C MCULE-8819293670 [0,1,0,1,0,0|1,0,0]=3 1951 B11R1.23 COC(=O)[C@H]1CNC[C@H](C1)C MCULE-1230934148 [0,1,0,1,0,0|1,0,0]=3 1952 B11R1.23 COC(=O)[C@H]1CNC[C@H](C1)C MCULE-4518893761 [0,1,0,1,0,0|1,0,0]=3 1953 B11R1.23 COC(=O)[C@H]1CNC[C@H](C1)C MCULE-6242107437 [0,1,0,1,0,0|1,0,0]=3 1954 B11R1.23 COC(=O)[C@H]1CNC[C@H](C1)C MCULE-6759485266 [0,1,0,1,0,0|1,0,0]=3 1955 B11R1.23 COC(=O)[C@H]1CNC[C@H](C1)C MCULE-7286083039 [0,1,0,1,0,0|1,0,0]=3 1956 B11R1.23 COC(=O)[C@H]1CNC[C@H](C1)C MCULE-8529284501 [0,1,0,1,0,0|1,0,0]=3 1957 B11R1.23 COC(=O)[C@H]1C[C@@H](CCN1)O MCULE-3855809627 [0,1,0,1,0,0|2,0,0]=4 1958 B11R1.23 COC(=O)[C@H]1C[C@@H](CCN1)O MCULE-9652933218 [0,1,0,1,0,0|2,0,0]=4 1959 B11R1.23 COC(=O)[C@H]1C[C@H](CCN1)O MCULE-5894001253 [0,1,0,1,0,0|2,0,0]=4 1960 B11R1.23 COC(=O)[C@H]1C[C@H](CCN1)O MCULE-7416859347 [0,1,0,1,0,0|2,0,0]=4 1961 B11R1.23 COC(=O)[C@H]1C[C@H](CCN1)O MCULE-7542782600 [0,1,0,1,0,0|2,0,0]=4 1962 B11R1.23 COC(=O)[C@H]1C[C@H](CCN1)O MCULE-7582287818 [0,1,0,1,0,0|2,0,0]=4 1963 B11R1.23 COC(=O)[C@H]1C[C@H](CCN1)O MCULE-8181619832 [0,1,0,1,0,0|2,0,0]=4 1964 B11R1.23 COC(=O)[C@H]1C[C@H](CCN1)O MCULE-9706236638 [0,1,0,1,0,0|2,0,0]=4 1965 B11R1.23 [C@H]1(CCN[C@H](C1)C(=O)OC)O MCULE-1156229977 [0,1,0,1,0,0|2,0,0]=4 1966 B11R1.23 [C@H]1(CCN[C@H](C1)C(=O)OC)O MCULE-8722743074 [0,1,0,1,0,0|2,0,0]=4 1967 B11R1.23 [C@H]1(C[C@@H](CCN1)C(=O)OC)C MCULE-1747332778 [0,1,0,1,0,0|1,0,0]=3 1968 B11R1.23 [C@H]1(C[C@@H](CCN1)C(=O)OC)C MCULE-7292173126 [0,1,0,1,0,0|1,0,0]=3 1969 B11R1.59 CCN1CCCC1C(=O)OC MCULE-2111423873 [0,1,0,1,0,0|1,0,0]=3 1970 B11R1.59 COC(=O)C1CCCC1CO MCULE-5803357761 [0,1,0,1,0,0|1,0,0]=3 1971 B11R1.59 COC(=O)N1CCCC1OC MCULE-4556392766 [0,1,0,1,0,0|2,0,0]=4 1972 B11R1.59 COC(=O)[C@@H]1CCC[C@H]1CO MCULE-4195422588 [0,1,0,1,0,0|1,0,0]=3 1973 B11R1.59 COC(=O)[C@H]1CCC[C@@H]1CO MCULE-1028620967 [0,1,0,1,0,0|1,0,0]=3 1974 B11R1.768 CCOC1(CCC1)C(=O)OC MCULE-1422770990 [0,1,0,1,0,0|1,0,0]=3 1975 B11R1.852 CC(CO)C1CCCCCC1 MCULE-7395158775 [0,1,0,1,0,0|1,0,1]=4 1976 B11R1.852 CCC(=O)C1CCCCCC1 MCULE-7443621337 [0,1,0,1,0,0|1,0,0]=3 1977 B11R1.852 CNC(=O)C1CCCCCC1 MCULE-8197745195 [0,1,0,1,0,0|1,0,0]=3 1978 B11R1.852 CNC(=O)C1CCCCCN1 MCULE-7805616586 [0,1,0,1,0,0|2,0,0]=4 1979 B11R1.852 COC(=O)C1CCC=CCC1 MCULE-3027704453 [0,1,0,1,0,0|0,0,2]=4 1980 B11R1.852 COC(=O)C1CCCCCC1 MCULE-8003000735 [0,1,0,1,0,0|0,0,0]=2 1981 B11R1.852 COC(=O)C1CCCCCN1 MCULE-8548406183 [0,1,0,1,0,0|1,0,0]=3 1982 B11R1.852 COC(=O)C1CCCCCN1 MCULE-9755218906 [0,1,0,1,0,0|1,0,0]=3 1983 B11R1.852 COC(=O)C1CCCCNC1 MCULE-5033307999 [0,1,0,1,0,0|1,0,0]=3 1984 B11R1.852 COC(=O)C1CCCCNC1 MCULE-5999850816 [0,1,0,1,0,0|1,0,0]=3 1985 B11R1.852 COC(=O)C1CCCNCC1 MCULE-3407559638 [0,1,0,1,0,0|1,0,0]=3 1986 B11R1.852 COC(=O)C1CCCNCC1 MCULE-7978075592 [0,1,0,1,0,0|1,0,0]=3 1987 B11R1.852 COC(=O)C1CNCCCN1 MCULE-4382038267 [0,1,0,1,0,0|2,0,0]=4 1988 B11R1.852 COC(=O)C1CNCCCO1 MCULE-5602819799 [0,1,0,1,0,0|2,0,0]=4 1989 B11R1.852 COC(=O)C1CNCCCO1 MCULE-9238281261 [0,1,0,1,0,0|2,0,0]=4 1990 B11R1.852 COC(=O)C1CNCCOC1 MCULE-3087165562 [0,1,0,1,0,0|2,0,0]=4 1991 B11R1.852 COC(=O)C1CNCCOC1 MCULE-3586722287 [0,1,0,1,0,0|2,0,0]=4 1992 B11R1.852 COC(=O)C1CNCCSC1 MCULE-9024750063 [0,1,0,1,0,0|2,0,0]=4 1993 B11R1.852 COC(=O)N1CCCNCC1 MCULE-2036464472 [0,1,0,1,0,0|2,0,0]=4 1994 B11R1.852 COC(=O)N1CCCNCC1 MCULE-5917538833 [0,1,0,1,0,0|2,0,0]=4 1995 B11R1.852 COC(=O)[C@@H]1CCCCCN1 MCULE-2832726026 [0,1,0,1,0,0|1,0,0]=3 1996 B11R1.852 COC(=O)[C@@H]1CCCCCN1 MCULE-6917033588 [0,1,0,1,0,0|1,0,0]=3 1997 B11R1.852 COC(=O)[C@H]1CCCCCN1 MCULE-1594353042 [0,1,0,1,0,0|1,0,0]=3 1998 B11R1.852 COC(=O)[C@H]1CCCCCN1 MCULE-7957773860 [0,1,0,1,0,0|1,0,0]=3 1999 B11R1.852 NCC(=O)N1CCCCCC1 MCULE-2467421041 [0,1,0,1,0,0|2,0,0]=4 2000 B11R1.852 NCC(=O)N1CCCCCC1 MCULE-6921975612 [0,1,0,1,0,0|2,0,0]=4 2001 B11R1.852 O=C(CBr)C1CCCCCC1 MCULE-8804572153 [0,1,0,1,0,0|1,0,0]=3 2002 B11R1.852 O=C(CCl)C1CCCCCC1 MCULE-4633849063 [0,1,0,1,0,0|1,0,0]=3 2003 B11R1.852 O=C(CCl)N1CCCCCC1 MCULE-7614391706 [0,1,0,1,0,0|2,0,0]=4 2004 B11R1.852 O=C(CO)N1CCCCCC1 MCULE-3681107148 [0,1,0,1,0,0|1,0,0]=3 2005 B11R1.17 CCCCC1CCCCC1O MCULE-7002165342 [0,1,0,1,0,0|1,0,1]=4 2006 B11R1.17 CCCCC1NCCNC1=O MCULE-8504158690 [0,1,0,1,0,0|2,0,0]=4 2007 B11R1.17 CCCNC1CCCCC1O MCULE-8368765892 [0,1,0,1,0,0|1,0,1]=4 2008 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O MCULE-3339453217 [0,1,0,1,0,0|1,0,1]=4 2009 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O MCULE-8427110995 [0,1,0,1,0,0|1,0,1]=4 2010 B11R1.17 CNCCN1CCCCC1=O MCULE-2748762852 [0,1,0,1,0,0|2,0,0]=4 2011 B11R1.17 CNCCN1CCCCC1=O MCULE-6209260920 [0,1,0,1,0,0|2,0,0]=4 2012 B11R1.17 N#CCCC1CCCCC1=O MCULE-6518120828 [0,1,0,1,0,0|1,0,1]=4 2013 B11R1.17 NCCCC1CCCCC1O MCULE-4985421129 [0,1,0,1,0,0|1,0,1]=4 2014 B11R1.17 NCCCN1CCCCC1=O MCULE-3264201427 [0,1,0,1,0,0|2,0,0]=4 2015 B11R1.17 NCCCN1CCCNC1=O MCULE-1366217387 [0,1,0,1,0,0|2,0,0]=4 2016 B11R1.17 O=C1CCCCC1CCCO MCULE-6491492717 [0,1,0,1,0,0|1,0,0]=3 2017 B11R1.17 O=C1CCCCN1CCCO MCULE-3358401474 [0,1,0,1,0,0|2,0,0]=4 2018 B11R1.21 CC(=O)C1CCC(=C(C1)C)C MCULE-9948382916 [0,1,0,1,0,0|1,0,1]=4 2019 B11R1.21 CC1=C(CC(CC1)C(=O)O)C MCULE-6601751883 [0,1,0,1,0,0|0,0,1]=3 2020 B11R1.21 CC1CC(CCC1=O)C(=O)O MCULE-1918471657 [0,1,0,1,0,0|0,0,1]=3 2021 B11R1.21 CC1CCC(CC1C)C(=O)O MCULE-5819111297 [0,1,0,1,0,0|0,0,0]=2 2022 B11R1.21 CC1CCC(CC1N)C(=O)O MCULE-3503061214 [0,1,0,1,0,0|1,0,0]=3 2023 B11R1.21 CN1CC(CCC1=O)C(=O)O MCULE-4009790849 [0,1,0,1,0,0|1,0,1]=4 2024 B11R1.21 CN1CCC(CC1=O)C(=O)O MCULE-7427834297 [0,1,0,1,0,0|1,0,1]=4 2025 B11R1.21 CN1CC[C@@H](CC1=O)C(=O)O MCULE-5366315291 [0,1,0,1,0,0|1,0,1]=4 2026 B11R1.21 CN1CC[C@@H](CC1=O)C(=O)O MCULE-9736243500 [0,1,0,1,0,0|1,0,1]=4 2027 B11R1.21 CN1C[C@@H](CCC1=O)C(=O)O MCULE-4384135288 [0,1,0,1,0,0|1,0,1]=4 2028 B11R1.21 CN1C[C@H](CCC1=O)C(=O)O MCULE-3136924816 [0,1,0,1,0,0|1,0,1]=4 2029 B11R1.21 CN1C[C@H](CCC1=O)C(=O)O MCULE-6449446697 [0,1,0,1,0,0|1,0,1]=4 2030 B11R1.21 N[C@H]1CC[C@H](C[C@@H]1O)C(=O)O MCULE-5165144051 [0,1,0,1,0,0|1,0,0]=3 2031 B11R1.21 N[C@H]1CC[C@H](C[C@@H]1O)C(=O)O MCULE-9735389419 [0,1,0,1,0,0|1,0,0]=3 2032 B11R1.21 N[C@H]1C[C@@H](CC[C@@H]1O)C(=O)O MCULE-8546749927 [0,1,0,1,0,0|1,0,0]=3 2033 B11R1.21 N[C@H]1C[C@@H](CC[C@@H]1O)C(=O)O MCULE-9445334860 [0,1,0,1,0,0|1,0,0]=3 2034 B11R1.48 CCN1CC(CC1=O)C(=O)O MCULE-2980395713 [0,1,0,1,0,0|1,0,1]=4 2035 B11R1.64 CCN1C(=O)CCC1C(=O)O MCULE-7704385738 [0,1,0,1,0,0|1,0,1]=4 2036 B11R1.64 CC[C@@H]1[C@H](CCN1C)C(=O)O MCULE-1841382156 [0,1,0,1,0,0|0,0,0]=2 2037 B11R1.64 CC[C@@H]1[C@H](CCN1C)C(=O)O MCULE-8610432680 [0,1,0,1,0,0|0,0,0]=2 2038 B11R1.81 CCCC1CCC(=O)NC1=O MCULE-2056394516 [0,1,0,1,0,0|1,0,1]=4 2039 B11R1.81 CCCC1CCC(CC1O)C MCULE-8092215749 [0,1,0,1,0,0|1,0,1]=4 2040 B11R1.185 CCCN1CC(CC1=O)CN MCULE-3276124964 [0,1,0,1,0,0|2,0,0]=4 2041 B11R1.230 CCCCC1CC(=O)OC1=O MCULE-8172678394 [0,1,0,1,0,0|1,0,1]=4 2042 B11R1.266 CC(=O)N1CCCC(C1)CBr MCULE-2375498362 [0,1,0,1,0,0|2,0,0]=4 2043 B11R1.266 CC(=O)N1CCCC(C1)CCl MCULE-3135578995 [0,1,0,1,0,0|2,0,0]=4 2044 B11R1.266 CC(=O)N1CCCC(C1)CI MCULE-5276402489 [0,1,0,1,0,0|2,0,0]=4 2045 B11R1.266 CC(=O)N1CCCC(C1)CN MCULE-4665795596 [0,1,0,1,0,0|2,0,0]=4 2046 B11R1.266 CC(=O)N1CCCC(C1)CN MCULE-8820438517 [0,1,0,1,0,0|2,0,0]=4 2047 B11R1.266 CC(=O)N1CCCC(C1)CO MCULE-7642403627 [0,1,0,1,0,0|2,0,0]=4 2048 B11R1.266 CCC1CC(CCO1)C(=O)O MCULE-2078111514 [0,1,0,1,0,0|1,0,0]=3 2049 B11R1.266 CCC1CCCC(N1)C(=O)O MCULE-7713794654 [0,1,0,1,0,0|0,0,0]=2 2050 B11R1.266 CCN1CCCC(C1)C(=O)C MCULE-7135351580 [0,1,0,1,0,0|1,0,0]=3 2051 B11R1.266 CCN1CCCC(C1)C(=O)O MCULE-6025646187 [0,1,0,1,0,0|0,0,0]=2 2052 B11R1.266 CCN1CCCC(C1)C(=O)O MCULE-9624023787 [0,1,0,1,0,0|0,0,0]=2 2053 B11R1.266 CCN1CCOC(C1)C(=O)O MCULE-2517957161 [0,1,0,1,0,0|1,0,0]=3 2054 B11R1.266 CCN1CCOC(C1)C(=O)O MCULE-7367864264 [0,1,0,1,0,0|1,0,0]=3 2055 B11R1.266 CNC1CCCN(C1)C(=O)C MCULE-6920635212 [0,1,0,1,0,0|2,0,0]=4 2056 B11R1.266 CN[C@@H]1CCCN(C1)C(=O)C MCULE-7453037296 [0,1,0,1,0,0|2,0,0]=4 2057 B11R1.266 CN[C@H]1CCCN(C1)C(=O)C MCULE-9109347904 [0,1,0,1,0,0|2,0,0]=4 2058 B11R1.266 COC1CCCC(C1)C(=O)O MCULE-5456384162 [0,1,0,1,0,0|0,0,0]=2 2059 B11R1.266 COC1CCCN(C1)C(=O)C MCULE-2201681000 [0,1,0,1,0,0|2,0,0]=4 2060 B11R1.266 COC1CCNC(C1)C(=O)O MCULE-4331709048 [0,1,0,1,0,0|1,0,0]=3 2061 B11R1.266 COC1CCNC(C1)C(=O)O MCULE-4664523841 [0,1,0,1,0,0|1,0,0]=3 2062 B11R1.266 CO[C@@H]1CCN[C@@H](C1)C(=O)O MCULE-3625899999 [0,1,0,1,0,0|1,0,0]=3 2063 B11R1.266 CO[C@@H]1CCN[C@H](C1)C(=O)O MCULE-5992517897 [0,1,0,1,0,0|1,0,0]=3 2064 B11R1.266 CO[C@H]1CCC[C@H](C1)C(=O)O MCULE-4087120684 [0,1,0,1,0,0|0,0,0]=2 2065 B11R1.266 CO[C@H]1CCN[C@@H](C1)C(=O)O MCULE-9935444947 [0,1,0,1,0,0|1,0,0]=3 2066 B11R1.266 CO[C@H]1CCN[C@H](C1)C(=O)O MCULE-1244366233 [0,1,0,1,0,0|1,0,0]=3 2067 B11R1.266 NCC1CCCN(C1)C(=O)N MCULE-9499524438 [0,1,0,1,0,0|2,0,0]=4 2068 B11R1.266 NCC1CCCN(C1)C(=O)N MCULE-9590065828 [0,1,0,1,0,0|2,0,0]=4 2069 B11R1.266 O=C(O)C1CCCC(=NO)C1 MCULE-8609222770 [0,1,0,1,0,0|1,0,1]=4 2070 B11R1.266 O=C(O)C1CCCC(C1)CO MCULE-5244716212 [0,1,0,1,0,0|0,0,0]=2 2071 B11R1.266 O=CN1CCCC(C1)C(=O)O MCULE-9603483269 [0,1,0,1,0,0|1,0,1]=4 2072 B11R1.565 CN1CCCC(CC1)C(=O)O MCULE-2315942552 [0,1,0,1,0,0|0,0,0]=2 2073 B11R1.565 O=C1CCC(CCN1)C(=O)O MCULE-3530109531 [0,1,0,1,0,0|1,0,1]=4 2074 B11R1.565 O=C1CCC(CCO1)C(=O)O MCULE-4871150325 [0,1,0,1,0,0|1,0,1]=4 2075 B11R1.565 O=C1CCCC(CC1)C(=O)O MCULE-9475795957 [0,1,0,1,0,0|0,0,1]=3 2076 B11R1.706 CC(=O)C1CCCCCCC1 MCULE-7453374150 [0,1,0,1,0,0|1,0,0]=3 2077 B11R1.706 O=C(O)C1CCC=CCCC1 MCULE-1202438669 [0,1,0,1,0,0|0,0,1]=3 2078 B11R1.706 O=C(O)C1CCCCCCC1 MCULE-7220278799 [0,1,0,1,0,0|0,0,0]=2 2079 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2852082428 [0,1,0,1,0,0|0,0,0]=2 2080 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2931630393 [0,1,0,1,0,0|0,0,0]=2 2081 B11R1.905 COCCC1(CCC1)C(=O)O MCULE-4060432640 [0,1,0,1,0,0|0,0,0]=2 2082 B11R1.1239 C#CCC1(CCCC1)C(=O)O MCULE-6947326895 [0,1,0,1,0,0|0,0,2]=4 2083 B11R1.1239 C#CCC1(CCCN1)C(=O)O MCULE-1403927568 [0,1,0,1,0,0|0,0,2]=4 2084 B11R1.1239 C#CCC1(CCCN1)C(=O)O MCULE-8342385947 [0,1,0,1,0,0|0,0,2]=4 2085 B11R1.1239 C#CCC1(CCCN1)C(=O)O MCULE-8641336019 [0,1,0,1,0,0|0,0,2]=4 2086 B11R1.1239 C#CCC1(CCCN1)C(=O)O MCULE-9795420008 [0,1,0,1,0,0|0,0,2]=4 2087 B11R1.1239 C#CCC1(CCCO1)C(=O)O MCULE-5150826851 [0,1,0,1,0,0|0,0,2]=4 2088 B11R1.1239 C#CCC1(CCOC1)C(=O)O MCULE-9498149998 [0,1,0,1,0,0|0,0,2]=4 2089 B11R1.1239 C#CC[C@@]1(CCCN1)C(=O)O MCULE-2232454318 [0,1,0,1,0,0|0,0,2]=4 2090 B11R1.1239 C#CC[C@@]1(CCCN1)C(=O)O MCULE-5947372828 [0,1,0,1,0,0|0,0,2]=4 2091 B11R1.1239 C#CC[C@@]1(CCCN1)C(=O)O MCULE-5989515834 [0,1,0,1,0,0|0,0,2]=4 2092 B11R1.1239 C#CC[C@@]1(CCCN1)C(=O)O MCULE-7676365544 [0,1,0,1,0,0|0,0,2]=4 2093 B11R1.1239 C#CC[C@]1(CCCN1)C(=O)O MCULE-3359963802 [0,1,0,1,0,0|0,0,2]=4 2094 B11R1.1239 C#CC[C@]1(CCCN1)C(=O)O MCULE-4438951816 [0,1,0,1,0,0|0,0,2]=4 2095 B11R1.1239 C#CC[C@]1(CCCN1)C(=O)O MCULE-8843008239 [0,1,0,1,0,0|0,0,2]=4 2096 B11R1.1239 C#CC[C@]1(CCCN1)C(=O)O MCULE-9837916245 [0,1,0,1,0,0|0,0,2]=4 2097 B11R1.1239 C=CCC1(CCCC1)C(=O)O MCULE-1943404346 [0,1,0,1,0,0|0,0,2]=4 2098 B11R1.1239 C=CCC1(CCCN1)C(=O)O MCULE-1415865757 [0,1,0,1,0,0|0,0,2]=4 2099 B11R1.1239 C=CCC1(CCCN1)C(=O)O MCULE-4672098724 [0,1,0,1,0,0|0,0,2]=4 2100 B11R1.1239 C=CCC1(CCCN1)C(=O)O MCULE-6014624622 [0,1,0,1,0,0|0,0,2]=4 2101 B11R1.1239 C=CCC1(CCCN1)C(=O)O MCULE-6287711378 [0,1,0,1,0,0|0,0,2]=4 2102 B11R1.1239 C=CC[C@@]1(CCCN1)C(=O)O MCULE-2516270823 [0,1,0,1,0,0|0,0,2]=4 2103 B11R1.1239 C=CC[C@@]1(CCCN1)C(=O)O MCULE-3478188504 [0,1,0,1,0,0|0,0,2]=4 2104 B11R1.1239 C=CC[C@@]1(CCCN1)C(=O)O MCULE-5072885062 [0,1,0,1,0,0|0,0,2]=4 2105 B11R1.1239 C=CC[C@@]1(CCCN1)C(=O)O MCULE-5387696060 [0,1,0,1,0,0|0,0,2]=4 2106 B11R1.1239 C=CC[C@]1(CCCN1)C(=O)O MCULE-1671742651 [0,1,0,1,0,0|0,0,2]=4 2107 B11R1.1239 C=CC[C@]1(CCCN1)C(=O)O MCULE-4806219236 [0,1,0,1,0,0|0,0,2]=4 2108 B11R1.1239 C=CC[C@]1(CCCN1)C(=O)O MCULE-5511436537 [0,1,0,1,0,0|0,0,2]=4 2109 B11R1.1239 C=CC[C@]1(CCCN1)C(=O)O MCULE-8014594199 [0,1,0,1,0,0|0,0,2]=4 2110 B11R1.1239 CCCC1(CCCN1)C(=O)O MCULE-4996417067 [0,1,0,1,0,0|0,0,0]=2 2111 B11R1.1239 CCCC1(CCCN1)C(=O)O MCULE-7791679512 [0,1,0,1,0,0|0,0,0]=2 2112 B11R1.1239 CCC[C@]1(CCCN1)C(=O)O MCULE-9371463504 [0,1,0,1,0,0|0,0,0]=2 2113 B11R1.1239 CCOC1(CCCC1)C(=O)O MCULE-4011994377 [0,1,0,1,0,0|1,0,0]=3 2114 B11R1.1239 COCC1(CC=CC1)C(=O)O MCULE-3700578028 [0,1,0,1,0,0|1,0,1]=4 2115 B11R1.1239 COCC1(CCCC1)C(=O)N MCULE-8317060353 [0,1,0,1,0,0|2,0,0]=4 2116 B11R1.1239 COCC1(CCCC1)C(=O)O MCULE-3378176919 [0,1,0,1,0,0|1,0,0]=3 2117 B11R1.1239 COCC1(CCCN1)C(=O)O MCULE-6933694896 [0,1,0,1,0,0|1,0,0]=3 2118 B11R1.1239 COCC1(CCCN1)C(=O)O MCULE-9894897145 [0,1,0,1,0,0|1,0,0]=3 2119 B11R1.1239 COCC1(CCCO1)C(=O)O MCULE-5930784439 [0,1,0,1,0,0|1,0,0]=3 2120 B11R1.1239 COCC1(CCNC1)C(=O)O MCULE-2981641932 [0,1,0,1,0,0|1,0,0]=3 2121 B11R1.1239 COCC1(CCNC1)C(=O)O MCULE-3093738240 [0,1,0,1,0,0|1,0,0]=3 2122 B11R1.1239 COCC1(CCOC1)C(=O)O MCULE-6639499778 [0,1,0,1,0,0|1,0,0]=3 2123 B11R1.1239 O=C(O)C1(CCNC1)CCO MCULE-6262681434 [0,1,0,1,0,0|1,0,0]=3 2124 B11R1.421 CC1(CNCC1CO)C(=O)O MCULE-1211332040 [0,1,0,1,0,0|2,0,0]=4 2125 B11R1.421 CCC1CCCC1(C)C(=O)O MCULE-6788329721 [0,1,0,1,0,0|0,0,0]=2 2126 B11R1.421 CCC1CNCC1(C)C(=O)O MCULE-6125923217 [0,1,0,1,0,0|1,0,0]=3 2127 B11R1.667 CC1(CC(CCO1)N)C(=O)O MCULE-4479358294 [0,1,0,1,0,0|2,0,0]=4 2128 B11R1.667 CC1(CC(CCO1)N)C(=O)O MCULE-7328807092 [0,1,0,1,0,0|2,0,0]=4 2129 B11R1.667 CC1CC(CCO1)(C)C(=O)O MCULE-8913886133 [0,1,0,1,0,0|1,0,0]=3 2130 B11R1.667 CC1CC(CCO1)(N)C(=O)O MCULE-2481658934 [0,1,0,1,0,0|1,0,0]=3 2131 B11R1.667 CC1CC(CCO1)(N)C(=O)O MCULE-5146905630 [0,1,0,1,0,0|1,0,0]=3 2132 B11R1.667 CC1CCCC(C1)(N)C(=O)N MCULE-1803408408 [0,1,0,1,0,0|1,0,0]=3 2133 B11R1.667 CC1CCCC(C1)(N)C(=O)O MCULE-7952794030 [0,1,0,1,0,0|0,0,0]=2 2134 B11R1.667 CN1CCCC(C1)(C)C(=O)O MCULE-6176737385 [0,1,0,1,0,0|1,0,0]=3 2135 B11R1.737 CC1(CCCCCC1)C(=O)O MCULE-3584192725 [0,1,0,1,0,0|0,0,0]=2 2136 B11R1.737 NC(=O)C1(CCCCCC1)N MCULE-6163613760 [0,1,0,1,0,0|1,0,0]=3 2137 B11R1.737 NC(=O)C1(CCCCCC1)O MCULE-4135482773 [0,1,0,1,0,0|1,0,0]=3 2138 B11R1.737 NC1(CCCCCC1)C(=O)O MCULE-6498749639 [0,1,0,1,0,0|0,0,0]=2 2139 B11R1.737 NC1(CCCNCC1)C(=O)O MCULE-7153988486 [0,1,0,1,0,0|1,0,0]=3 2140 B11R1.737 O=C(O)C1(CCCCCC1)O MCULE-7470096721 [0,1,0,1,0,0|0,0,0]=2 2141 B11R1.774 CCCC1(NCCNC1=O)C MCULE-6602499391 [0,1,0,1,0,0|2,0,0]=4 2142 B11R1.1121 NS(=O)(=O)C1CCCCCC1 MCULE-8111443225 [0,1,0,1,0,0|1,0,1]=4 2143 B11R1.1121 O=S(=O)(Cl)C1CCCCCC1 MCULE-9789094720 [0,1,0,1,0,0|1,0,1]=4 2144 B11R2.48 O=C1NC2CCC1CNC2 MCULE-2190424917 [0,0,0,2,0,0|2,0,0]=4 2145 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 MCULE-9556211454 [0,0,0,2,0,0|2,0,0]=4 2146 B11R2.48 O=C1OC2C=CCC1CC2 MCULE-6582262450 [0,0,0,2,0,0|0,0,2]=4 2147 B11R2.48 O=C1OC2CCCC1CC2 MCULE-9400840522 [0,0,0,2,0,0|0,0,0]=2 2148 B11R2.48 [C@H]12CC[C@H](CNC1)C(=O)N2 MCULE-1179542442 [0,0,0,2,0,0|2,0,0]=4 2149 B11R2.55 O=C1CCCCC1C2CC2 MCULE-3903470874 [0,0,0,2,0,0|1,0,0]=3 2150 B11R2.55 O=C1NCCNC1C2CC2 MCULE-1698447631 [0,0,0,2,0,0|2,0,0]=4 2151 B11R2.106 O=C1CCCC2C1CNC2 MCULE-2598155610 [0,0,0,2,0,0|2,0,0]=4 2152 B11R2.106 O=C1CCCC2C1CNC2 MCULE-9903478787 [0,0,0,2,0,0|2,0,0]=4 2153 B11R2.106 O=C1CCCC2N1CCC2 MCULE-2502608278 [0,0,0,2,0,0|2,0,0]=4 2154 B11R2.106 O=C1CCCN2C1CCC2 MCULE-9887962331 [0,0,0,2,0,0|2,0,0]=4 2155 B11R2.106 O=C1CCNC2C1CCC2 MCULE-1541699874 [0,0,0,2,0,0|2,0,0]=4 2156 B11R2.106 O=C1CCNC2C1CCC2 MCULE-3872834252 [0,0,0,2,0,0|2,0,0]=4 2157 B11R2.106 O=C1NCCN2C1CCC2 MCULE-6199170585 [0,0,0,2,0,0|2,0,0]=4 2158 B11R2.106 O=C1OCCC2C1NCC2 MCULE-3577635422 [0,0,0,2,0,0|1,0,0]=3 2159 B11R2.106 O=C1OCCC2C1NCC2 MCULE-9963938069 [0,0,0,2,0,0|1,0,0]=3 2160 B11R2.106 [C@H]12CCC[C@H]1C(=O)CCN2 MCULE-7463378836 [0,0,0,2,0,0|2,0,0]=4 2161 B11R2.106 [C@H]12CCC[C@H]1C(=O)CCN2 MCULE-9905623510 [0,0,0,2,0,0|2,0,0]=4 2162 B11R2.106 [C@H]12CCNC(=O)[C@H]1CNC2 MCULE-4057782127 [0,0,0,2,0,0|2,0,0]=4 2163 B11R2.106 [C@H]12CCNC(=O)[C@H]1CNC2 MCULE-6861525363 [0,0,0,2,0,0|2,0,0]=4 2164 B11R2.357 O=C1CCN2CCCC1C2 MCULE-9793314447 [0,0,0,2,0,0|2,0,0]=4 2165 B11R2.370 O=C1CCCCC12CCC2 MCULE-7015352591 [0,0,0,2,0,0|1,0,0]=3 2166 B11R2.370 O=C1CCOCC12CCC2 MCULE-6977472785 [0,0,0,2,0,0|2,0,0]=4 2167 B11R2.370 O=C1NCCCC12CCC2 MCULE-4101734438 [0,0,0,2,0,0|1,0,0]=3 2168 B11R2.370 O=C1NCCNC12CCC2 MCULE-6213098054 [0,0,0,2,0,0|2,0,0]=4 2169 B11R2.565 C12CCCC(C1=O)CCC2 MCULE-1106479058 [0,0,0,2,0,0|1,0,0]=3 2170 B11R2.565 O=C1C2CCCC1CNC2 MCULE-1863326304 [0,0,0,2,0,0|2,0,0]=4 2171 B11R2.565 O=C1C2CCCC1CNC2 MCULE-7985724089 [0,0,0,2,0,0|2,0,0]=4 2172 B11R2.565 O=C1C2CCCC1COC2 MCULE-2938392777 [0,0,0,2,0,0|2,0,0]=4 2173 B11R2.142 O=C(O)C1CCCC12CC2 MCULE-6943092166 [0,0,0,2,0,0|0,0,0]=2 2174 B11R2.142 O=C(O)C1CNCC12CC2 MCULE-2493064305 [0,0,0,2,0,0|1,0,0]=3 2175 B11R2.142 O=C(O)C1CNCC12CC2 MCULE-6773535897 [0,0,0,2,0,0|1,0,0]=3 2176 B11R2.142 O=C(O)[C@@H]1CNCC12CC2 MCULE-9044397851 [0,0,0,2,0,0|1,0,0]=3 2177 B11R2.142 O=C(O)[C@H]1CNCC12CC2 MCULE-4208481873 [0,0,0,2,0,0|1,0,0]=3 2178 B11R2.202 O=C1OC(=O)C2C1CCC2 MCULE-3340764436 [0,0,0,2,0,0|1,0,1]=4 2179 B11R2.202 O=C1OC(=O)[C@H]2[C@@H]1CCC2 MCULE-3533399458 [0,0,0,2,0,0|1,0,1]=4 2180 B11R2.819 O=C(O)C12CCC1CNC2 MCULE-5440576235 [0,0,0,2,0,0|1,0,0]=3 2181 B11R2.819 O=C(O)C12CCC1CNC2 MCULE-7903679300 [0,0,0,2,0,0|1,0,0]=3 2182 B11R2.822 O=C(O)C1NCC2C1CC2 MCULE-1771587431 [0,0,0,2,0,0|1,0,0]=3 2183 B11R2.822 O=C(O)[C@@H]1NC[C@@H]2[C@H]1CC2 MCULE-2762293004 [0,0,0,2,0,0|1,0,0]=3 2184 B11R2.822 O=C(O)[C@@H]1NC[C@@H]2[C@H]1CC2 MCULE-7115056217 [0,0,0,2,0,0|1,0,0]=3 2185 B11R2.822 [C@H]12CC[C@H]1CN[C@@H]2C(=O)O MCULE-5715089354 [0,0,0,2,0,0|1,0,0]=3 2186 B11R2.822 [C@H]12CC[C@H]1CN[C@@H]2C(=O)O MCULE-5720996089 [0,0,0,2,0,0|1,0,0]=3 2187 B11R2.822 [C@H]12CC[C@H]1CN[C@H]2C(=O)O MCULE-6325799801 [0,0,0,2,0,0|1,0,0]=3 2188 B11R2.822 [C@H]12CC[C@H]1CN[C@H]2C(=O)O MCULE-9154008612 [0,0,0,2,0,0|1,0,0]=3 2189 B11R2.824 O=C(O)C1C2CCC1NC2 MCULE-5267201254 [0,0,0,2,0,0|1,0,0]=3 2190 B11R2.824 O=C(O)C1C2CCC1NC2 MCULE-8256228320 [0,0,0,2,0,0|1,0,0]=3 2191 B11R2.824 O=C(O)C1C2CCN1CC2 MCULE-1490891130 [0,0,0,2,0,0|1,0,0]=3 2192 B11R2.824 O=C(O)C1C2CCN1CC2 MCULE-5536299146 [0,0,0,2,0,0|1,0,0]=3 2193 B11R2.824 O=C(O)[C@H]1[C@@H]2CC[C@H]1CN2 MCULE-7339799108 [0,0,0,2,0,0|1,0,0]=3 2194 B11R2.824 O=C(O)[C@H]1[C@@H]2CC[C@H]1CN2 MCULE-9199699839 [0,0,0,2,0,0|1,0,0]=3 2195 B11R2.824 [C@H]12CC[C@H]([C@H]1C(=O)O)CN2 MCULE-3123155349 [0,0,0,2,0,0|1,0,0]=3 2196 B11R2.824 [C@H]12CC[C@H]([C@H]1C(=O)O)CN2 MCULE-3672711458 [0,0,0,2,0,0|1,0,0]=3 2197 B11R2.845 C1(CC2CCN1C2)C(=O)O MCULE-3481999924 [0,0,0,2,0,0|1,0,0]=3 2198 B11R2.845 C1(CC2CCN1C2)C(=O)O MCULE-9084013070 [0,0,0,2,0,0|1,0,0]=3 2199 B11R2.845 CC(=O)C1CC2CCC1C2 MCULE-7085802450 [0,0,0,2,0,0|1,0,0]=3 2200 B11R2.845 CC(=O)C1CC2CCC1O2 MCULE-7697954858 [0,0,0,2,0,0|2,0,0]=4 2201 B11R2.845 CC(O)C1CC2CCC1C2 MCULE-1136492315 [0,0,0,2,0,0|1,0,1]=4 2202 B11R2.845 NC(=O)C1NC2CCC1C2 MCULE-7224845065 [0,0,0,2,0,0|2,0,0]=4 2203 B11R2.845 O=C(Cl)C1CC2CCC1C2 MCULE-7584777609 [0,0,0,2,0,0|1,0,0]=3 2204 B11R2.845 O=C(Cl)N1CC2CCC1C2 MCULE-9141556903 [0,0,0,2,0,0|2,0,0]=4 2205 B11R2.845 O=C(O)C1CC2C=CC1C2 MCULE-2570487264 [0,0,0,2,0,0|0,0,2]=4 2206 B11R2.845 O=C(O)C1CC2CCC1C2 MCULE-2105378214 [0,0,0,2,0,0|0,0,0]=2 2207 B11R2.845 O=C(O)C1CC2CCC1C2 MCULE-5033425758 [0,0,0,2,0,0|0,0,0]=2 2208 B11R2.845 O=C(O)C1CC2CCC1N2 MCULE-3189710002 [0,0,0,2,0,0|1,0,0]=3 2209 B11R2.845 O=C(O)C1CC2CCC1N2 MCULE-8256813957 [0,0,0,2,0,0|1,0,0]=3 2210 B11R2.845 O=C(O)C1CC2CCC1N2 MCULE-8443317854 [0,0,0,2,0,0|1,0,0]=3 2211 B11R2.845 O=C(O)C1CC2CCC1O2 MCULE-9965391385 [0,0,0,2,0,0|1,0,0]=3 2212 B11R2.845 O=C(O)C1CC2CNC1C2 MCULE-4741023802 [0,0,0,2,0,0|1,0,0]=3 2213 B11R2.845 O=C(O)C1CC2CNC1C2 MCULE-8094602403 [0,0,0,2,0,0|1,0,0]=3 2214 B11R2.845 O=C(O)C1C[C@@H]2C=C[C@H]1C2 MCULE-4081139324 [0,0,0,2,0,0|0,0,2]=4 2215 B11R2.845 O=C(O)C1NC2CCC1C2 MCULE-2419483992 [0,0,0,2,0,0|1,0,0]=3 2216 B11R2.845 O=C(O)C1NC2CCC1C2 MCULE-4216750988 [0,0,0,2,0,0|1,0,0]=3 2217 B11R2.845 O=C(O)C1NC2CCC1C2 MCULE-7576433397 [0,0,0,2,0,0|1,0,0]=3 2218 B11R2.845 O=C(O)[C@@H]1C[C@@H]2C=C[C@H]1C2 MCULE-5648526356 [0,0,0,2,0,0|0,0,2]=4 2219 B11R2.845 O=C(O)[C@@H]1C[C@@H]2C=C[C@H]1C2 MCULE-7954090600 [0,0,0,2,0,0|0,0,2]=4 2220 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 MCULE-6313349669 [0,0,0,2,0,0|1,0,0]=3 2221 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 MCULE-3955948018 [0,0,0,2,0,0|1,0,0]=3 2222 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 MCULE-8797585481 [0,0,0,2,0,0|1,0,0]=3 2223 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@H]1O2 MCULE-4412449728 [0,0,0,2,0,0|1,0,0]=3 2224 B11R2.845 O=C(O)[C@@H]1N[C@H]2CC[C@@H]1C2 MCULE-1749677274 [0,0,0,2,0,0|1,0,0]=3 2225 B11R2.845 O=C(O)[C@@H]1N[C@H]2CC[C@@H]1C2 MCULE-6361507980 [0,0,0,2,0,0|1,0,0]=3 2226 B11R2.845 O=C(O)[C@@H]1N[C@H]2CC[C@H]1C2 MCULE-8988709359 [0,0,0,2,0,0|1,0,0]=3 2227 B11R2.845 O=C(O)[C@H]1C[C@@H]2C=C[C@H]1C2 MCULE-8288835160 [0,0,0,2,0,0|0,0,2]=4 2228 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1O2 MCULE-5321903258 [0,0,0,2,0,0|1,0,0]=3 2229 B11R2.845 O=C(O)[C@H]1C[C@H]2C=C[C@@H]1C2 MCULE-1850588088 [0,0,0,2,0,0|0,0,2]=4 2230 B11R2.845 O=C(O)[C@H]1C[C@H]2CCN1C2 MCULE-5021740705 [0,0,0,2,0,0|1,0,0]=3 2231 B11R2.845 O=C(O)[C@H]1C[C@H]2CCN1C2 MCULE-5485847471 [0,0,0,2,0,0|1,0,0]=3 2232 B11R2.845 O=C(O)[C@H]1C[C@H]2CCN1C2 MCULE-9168070395 [0,0,0,2,0,0|1,0,0]=3 2233 B11R2.845 O=C(O)[C@H]1C[C@H]2CCN1C2 MCULE-9522296046 [0,0,0,2,0,0|1,0,0]=3 2234 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 MCULE-4397167204 [0,0,0,2,0,0|0,0,0]=2 2235 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1N2 MCULE-6144728165 [0,0,0,2,0,0|1,0,0]=3 2236 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1N2 MCULE-7927159067 [0,0,0,2,0,0|1,0,0]=3 2237 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@H]1O2 MCULE-4984104670 [0,0,0,2,0,0|1,0,0]=3 2238 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 MCULE-5294641154 [0,0,0,2,0,0|1,0,0]=3 2239 B11R2.845 [C@@H]12C=C[C@@H](C1)C(C2)C(=O)O MCULE-5511441102 [0,0,0,2,0,0|0,0,2]=4 2240 B11R2.845 [C@@H]12C=C[C@@H](C1)[C@@H](C2)C(=O)O MCULE-5677861178 [0,0,0,2,0,0|0,0,2]=4 2241 B11R2.845 [C@@H]12C=C[C@@H](C1)[C@H](C2)C(=O)O MCULE-1857694923 [0,0,0,2,0,0|0,0,2]=4 2242 B11R2.845 [C@@H]12CC[C@@H](C1)C(C2)C(=O)O MCULE-7685177551 [0,0,0,2,0,0|0,0,0]=2 2243 B11R2.845 [C@@H]12CC[C@@H](C1)C(C2)C(=O)O MCULE-9283430685 [0,0,0,2,0,0|0,0,0]=2 2244 B11R2.845 [C@@H]12CC[C@@H](N1)C[C@@H]2C(=O)O MCULE-1580122090 [0,0,0,2,0,0|1,0,0]=3 2245 B11R2.845 [C@@H]12CC[C@@H](N1)C[C@@H]2C(=O)O MCULE-2737672800 [0,0,0,2,0,0|1,0,0]=3 2246 B11R2.845 [C@@H]12CC[C@@H](O1)[C@@H](C2)C(=O)O MCULE-7503285059 [0,0,0,2,0,0|1,0,0]=3 2247 B11R2.845 [C@@H]12CC[C@@H](O1)[C@H](C2)C(=O)O MCULE-4865345596 [0,0,0,2,0,0|1,0,0]=3 2248 B11R2.845 [C@@H]12CC[C@H](C1)[C@H](N2)C(=O)O MCULE-2373068137 [0,0,0,2,0,0|1,0,0]=3 2249 B11R2.845 [C@H]12CCN(C1)[C@@H](C2)C(=O)O MCULE-2799771881 [0,0,0,2,0,0|1,0,0]=3 2250 B11R2.845 [C@H]12CCN(C1)[C@@H](C2)C(=O)O MCULE-9522170914 [0,0,0,2,0,0|1,0,0]=3 2251 B11R2.845 [C@H]12CC[C@H](C1)C(C2)C(=O)C MCULE-5860436538 [0,0,0,2,0,0|1,0,0]=3 2252 B11R2.845 [C@H]12CC[C@H](C1)C(C2)C(=O)C MCULE-7439214349 [0,0,0,2,0,0|1,0,0]=3 2253 B11R2.845 [C@H]12CC[C@H](C1)C(N2)C(=O)N MCULE-5892501301 [0,0,0,2,0,0|2,0,0]=4 2254 B11R2.845 [C@H]12CC[C@H](C1)N[C@@H]2C(=O)O MCULE-2807014544 [0,0,0,2,0,0|1,0,0]=3 2255 B11R2.845 [C@H]12CC[C@H](C1)N[C@@H]2C(=O)O MCULE-8789224031 [0,0,0,2,0,0|1,0,0]=3 2256 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](C2)C(=O)O MCULE-5848404845 [0,0,0,2,0,0|0,0,0]=2 2257 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](C2)C(=O)[O-] MCULE-3276957469 [0,0,0,2,0,0|0,0,1]=3 2258 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](N2)C(=O)O MCULE-6558374948 [0,0,0,2,0,0|1,0,0]=3 2259 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](N2)C(=O)O MCULE-6979068312 [0,0,0,2,0,0|1,0,0]=3 2260 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](N2)C(=O)O MCULE-7785103775 [0,0,0,2,0,0|1,0,0]=3 2261 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](N2)C(=O)O MCULE-9975397997 [0,0,0,2,0,0|1,0,0]=3 2262 B11R2.530 O=C(O)C1C2C1C(=O)CC2 MCULE-6727222040 [0,0,0,2,0,0|1,0,1]=4 2263 B11R2.1852 O=C(O)C1C2C1CCCC2 MCULE-2502533102 [0,0,0,2,0,0|0,0,0]=2 2264 B11R2.1852 O=C(O)C1C2C1COCC2 MCULE-6954766584 [0,0,0,2,0,0|1,0,0]=3 2265 B11R2.1852 O=C(O)C1C2C1OCCO2 MCULE-7832629497 [0,0,0,2,0,0|2,0,0]=4 2266 B11R2.1852 O=C(O)[C@@H]1[C@@H]2[C@H]1CCCC2 MCULE-2721847322 [0,0,0,2,0,0|0,0,0]=2 2267 B11R2.1852 [C@@H]12COCC[C@@H]1C2C(=O)O MCULE-9430309964 [0,0,0,2,0,0|1,0,0]=3 2268 B11R2.814 O=C(O)C1CC2C1CCC2 MCULE-6814629609 [0,0,0,2,0,0|0,0,0]=2 2269 B11R2.842 O=C(Cl)N1CC2CCC2C1 MCULE-1791944868 [0,0,0,2,0,0|2,0,0]=4 2270 B11R2.842 O=C(O)C1CC2CCC2C1 MCULE-9918842821 [0,0,0,2,0,0|0,0,0]=2 2271 B11R2.411 N[C@@H]1C[C@H]2C[C@]2(C1)C(=O)O MCULE-2111082325 [0,0,0,2,0,0|1,0,0]=3 2272 B11R2.411 N[C@@H]1C[C@H]2C[C@]2(C1)C(=O)O MCULE-4355305095 [0,0,0,2,0,0|1,0,0]=3 2273 B11R2.839 O=C(O)C1CCC2CC2C1 MCULE-9539219207 [0,0,0,2,0,0|0,0,0]=2 2274 B11R2.1826 NC(=O)C12CCCC(C1)C2 MCULE-5396207551 [0,0,0,2,0,0|1,0,0]=3 2275 B11R2.1826 O=C(O)C12CC(C1)CCN2 MCULE-2027717821 [0,0,0,2,0,0|1,0,0]=3 2276 B11R2.1826 O=C(O)C12CC(C1)CCN2 MCULE-3937212667 [0,0,0,2,0,0|1,0,0]=3 2277 B11R2.1826 O=C(O)C12CCCC(C1)C2 MCULE-1931429837 [0,0,0,2,0,0|0,0,0]=2 2278 B11R2.1826 O=C(O)C12CNCC(C1)C2 MCULE-1943461113 [0,0,0,2,0,0|1,0,0]=3 2279 B11R2.1826 O=C(O)C12CNCC(C1)C2 MCULE-5658280461 [0,0,0,2,0,0|1,0,0]=3 2280 B11R2.1837 O=C(O)C1CCCC2C1C2 MCULE-3545310305 [0,0,0,2,0,0|0,0,0]=2 2281 B11R2.1837 O=C(O)C1NCCC2C1C2 MCULE-7549040679 [0,0,0,2,0,0|1,0,0]=3 2282 B11R2.1837 O=C(O)C1NCCC2C1C2 MCULE-8003320761 [0,0,0,2,0,0|1,0,0]=3 2283 B11R2.1837 O=C(O)[C@@H]1NCC[C@H]2[C@@H]1C2 MCULE-5605484677 [0,0,0,2,0,0|1,0,0]=3 2284 B11R2.1837 O=C(O)[C@@H]1NCC[C@H]2[C@@H]1C2 MCULE-8372319730 [0,0,0,2,0,0|1,0,0]=3 2285 B11R2.1837 O=C(O)[C@H]1NCC[C@@H]2[C@H]1C2 MCULE-3959784629 [0,0,0,2,0,0|1,0,0]=3 2286 B11R2.1837 O=C(O)[C@H]1NCC[C@@H]2[C@H]1C2 MCULE-9660720209 [0,0,0,2,0,0|1,0,0]=3 2287 B11R2.1837 O=C(O)[C@H]1NCC[C@H]2[C@@H]1C2 MCULE-2415102953 [0,0,0,2,0,0|1,0,0]=3 2288 B11R2.1837 O=C(O)[C@H]1NCC[C@H]2[C@@H]1C2 MCULE-3447611520 [0,0,0,2,0,0|1,0,0]=3 2289 B11R2.1837 [C@@H]12CCNC([C@@H]1C2)C(=O)O MCULE-1481596159 [0,0,0,2,0,0|1,0,0]=3 2290 B11R2.1837 [C@@H]12CCNC([C@@H]1C2)C(=O)O MCULE-3526088768 [0,0,0,2,0,0|1,0,0]=3 2291 B11R2.1837 [C@H]12CCNC([C@@H]1C2)C(=O)O MCULE-1555944016 [0,0,0,2,0,0|1,0,0]=3 2292 B11R2.1837 [C@H]12CCNC([C@@H]1C2)C(=O)O MCULE-5915776174 [0,0,0,2,0,0|1,0,0]=3 2293 B11R2.1837 [C@H]12CCN[C@H]([C@H]1C2)C(=O)O MCULE-8519514554 [0,0,0,2,0,0|1,0,0]=3 2294 B11R2.1837 [C@H]12CCN[C@H]([C@H]1C2)C(=O)O MCULE-8683744573 [0,0,0,2,0,0|1,0,0]=3 2295 B11R2.621 O=C1CC2(CCC2)C(=O)O1 MCULE-6476591666 [0,0,0,2,0,0|1,0,1]=4 2296 B11R2.777 O=C(O)[C@@]1(C[C@@H]1F)C2CC2 MCULE-9108242619 [0,0,0,2,0,0|1,0,0]=3 2297 B11R2.777 O=C(O)[C@@]1(C[C@H]1F)C2CC2 MCULE-1866177731 [0,0,0,2,0,0|1,0,0]=3 2298 B11R2.837 O=C(O)C(C1CC1)C2CC2 MCULE-1384022680 [0,0,0,2,0,0|0,0,0]=2 2299 B11R2.1849 O=C(O)C1(CCC1)C2CC2 MCULE-6931268752 [0,0,0,2,0,0|0,0,0]=2 2300 B11R2.230 COC1CC(=O)C12CCC2 MCULE-3354558621 [0,0,0,2,0,0|2,0,0]=4 2301 B11R2.711 O=C1NC2C1CCCCC2 MCULE-6577332534 [0,0,0,2,0,0|1,0,0]=3 2302 B11R2.813 CC(=O)C12CCCCC1C2 MCULE-6704773068 [0,0,0,2,0,0|1,0,0]=3 2303 B11R2.813 O=C(O)C12CC1CCCN2 MCULE-4247938910 [0,0,0,2,0,0|1,0,0]=3 2304 B11R2.813 O=C(O)C12CC1CCCN2 MCULE-4913986428 [0,0,0,2,0,0|1,0,0]=3 2305 B11R2.813 O=C(O)C12CCCCC1C2 MCULE-8164847486 [0,0,0,2,0,0|0,0,0]=2 2306 B11R2.813 O=C(O)C12CCNCC1C2 MCULE-1960768540 [0,0,0,2,0,0|1,0,0]=3 2307 B11R2.813 O=C(O)C12CCNCC1C2 MCULE-9023292994 [0,0,0,2,0,0|1,0,0]=3 2308 B11R2.813 O=C(O)C12CNCCC1C2 MCULE-3253248385 [0,0,0,2,0,0|1,0,0]=3 2309 B11R2.813 O=C(O)C12CNCCC1C2 MCULE-4328236690 [0,0,0,2,0,0|1,0,0]=3 2310 B11R0.280 CCCC(CCC)CCC(=O)O MCULE-2758574417 [0,0,0,0,0,2|0,0,0]=2 2311 B11R0.280 CCCN(CCC)CCC(=O)O MCULE-6610337876 [0,0,0,0,0,2|1,0,0]=3