0 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.4 C#CCCC(C)O MCULE-1476308263 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.4 C#CCCN(=O)=O MCULE-9436796906 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.4 C#CCNC(=O)C MCULE-1159984782 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.4 C#CCNC(=O)N MCULE-4499144419 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.4 C#CCOC(=O)C MCULE-5002994323 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.4 C#CCOC(=O)Cl MCULE-5453166266 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.4 C#CCOC(=O)N MCULE-9698208346 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [0,0,0,0,0,0|1,0,1]=2 15 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.4 C=C(C)CCC#N MCULE-9953519474 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.4 C=C(C)CCCC MCULE-1010177756 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.4 C=C(C)CCCO MCULE-4629274490 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.4 C=C(C)CNCC MCULE-2237759977 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.4 C=C(F)CCCO MCULE-1688645687 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [0,0,0,0,0,0|1,0,3]=4 24 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [0,0,0,0,0,0|1,0,2]=3 25 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [0,0,0,0,0,0|1,0,3]=4 26 B6R0.4 C=CCCB(O)O MCULE-9431650735 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [0,0,0,0,0,0|1,0,1]=2 34 B6R0.4 C=CCCC(C)O MCULE-3388106789 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.4 C=CCCN(=O)=O MCULE-9645435231 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.4 C=CCC[C@@H](C)O MCULE-1272820385 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.4 C=CCC[C@@H](C)O MCULE-8509867177 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.4 C=CCC[C@H](C)O MCULE-4371391667 [0,0,0,0,0,0|2,0,2]=4 39 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [0,0,0,0,0,0|2,0,1]=3 45 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [0,0,0,0,0,0|1,0,1]=2 46 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.4 CC(=O)CCCO MCULE-1335342150 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.4 CC(=O)CSC#N MCULE-5774397655 [0,0,0,0,0,0|4,0,0]=4 52 B6R0.4 CC(=O)NCC#N MCULE-2345227602 [0,0,0,0,0,0|4,0,0]=4 53 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [0,0,0,0,0,0|4,0,0]=4 54 B6R0.4 CC(=O)NCCN MCULE-2230084818 [0,0,0,0,0,0|4,0,0]=4 55 B6R0.4 CC(=O)NCCO MCULE-5968518415 [0,0,0,0,0,0|4,0,0]=4 56 B6R0.4 CC(=O)NCCS MCULE-3345813615 [0,0,0,0,0,0|4,0,0]=4 57 B6R0.4 CC(=O)OCC#N MCULE-4866082576 [0,0,0,0,0,0|4,0,0]=4 58 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [0,0,0,0,0,0|4,0,0]=4 59 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [0,0,0,0,0,0|4,0,0]=4 60 B6R0.4 CC(=O)OCCN MCULE-4530529900 [0,0,0,0,0,0|4,0,0]=4 61 B6R0.4 CC(=O)OCCN MCULE-6854340494 [0,0,0,0,0,0|4,0,0]=4 62 B6R0.4 CC(=O)OCCO MCULE-1251660436 [0,0,0,0,0,0|4,0,0]=4 63 B6R0.4 CC(=O)SCC#N MCULE-5864559051 [0,0,0,0,0,0|4,0,0]=4 64 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [0,0,0,0,0,0|4,0,0]=4 65 B6R0.4 CC(=O)SCCN MCULE-3819903256 [0,0,0,0,0,0|4,0,0]=4 66 B6R0.4 CC(=O)SCCN MCULE-4872130470 [0,0,0,0,0,0|4,0,0]=4 67 B6R0.4 CC(=O)SCCN MCULE-7084821345 [0,0,0,0,0,0|4,0,0]=4 68 B6R0.4 CC(O)CCC#N MCULE-6350143710 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.4 CC(O)CCCBr MCULE-5477662754 [0,0,0,0,0,0|3,0,1]=4 70 B6R0.4 CC(O)CCCCl MCULE-6993728810 [0,0,0,0,0,0|3,0,1]=4 71 B6R0.4 CC(O)CCCN MCULE-3754805134 [0,0,0,0,0,0|3,0,1]=4 72 B6R0.4 CC(O)CCCO MCULE-6580326052 [0,0,0,0,0,0|3,0,1]=4 73 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [0,0,0,0,0,0|2,0,2]=4 74 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [0,0,0,0,0,0|1,0,2]=3 75 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [0,0,0,0,0,0|1,0,1]=2 76 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [0,0,0,0,0,0|4,0,0]=4 77 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [0,0,0,0,0,0|2,0,2]=4 78 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [0,0,0,0,0,0|1,0,2]=3 79 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [0,0,0,0,0,0|2,0,2]=4 80 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [0,0,0,0,0,0|2,0,2]=4 81 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [0,0,0,0,0,0|1,0,2]=3 82 B6R0.4 CCCC=C(C)C MCULE-2110588796 [0,0,0,0,0,0|3,0,1]=4 83 B6R0.4 CCCCB(O)O MCULE-9002672645 [0,0,0,0,0,0|2,0,1]=3 84 B6R0.4 CCCCC(=N)N MCULE-3271993509 [0,0,0,0,0,0|3,0,0]=3 85 B6R0.4 CCCCC(=N)N MCULE-3935017760 [0,0,0,0,0,0|3,0,0]=3 86 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [0,0,0,0,0,0|2,0,0]=2 87 B6R0.4 CCCCC(=O)C MCULE-3554390184 [0,0,0,0,0,0|2,0,0]=2 88 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [0,0,0,0,0,0|2,0,0]=2 89 B6R0.4 CCCCC(=O)N MCULE-6419483436 [0,0,0,0,0,0|2,0,0]=2 90 B6R0.4 CCCCC(=O)O MCULE-2333640078 [0,0,0,0,0,0|1,0,0]=1 91 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [0,0,0,0,0,0|1,0,1]=2 92 B6R0.4 CCCCC(=S)N MCULE-8236760762 [0,0,0,0,0,0|2,1,0]=3 93 B6R0.4 CCCCC(C)Br MCULE-3252474574 [0,0,0,0,0,0|3,0,1]=4 94 B6R0.4 CCCCC(C)C MCULE-7568461039 [0,0,0,0,0,0|3,0,1]=4 95 B6R0.4 CCCCC(C)Cl MCULE-4825682003 [0,0,0,0,0,0|3,0,1]=4 96 B6R0.4 CCCCC(C)N MCULE-5349371506 [0,0,0,0,0,0|3,0,1]=4 97 B6R0.4 CCCCC(C)N MCULE-6696490028 [0,0,0,0,0,0|3,0,1]=4 98 B6R0.4 CCCCC(C)O MCULE-6558228722 [0,0,0,0,0,0|2,0,1]=3 99 B6R0.4 CCCCC(C)S MCULE-4791681848 [0,0,0,0,0,0|2,1,1]=4 100 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [0,0,0,0,0,0|2,0,1]=3 101 B6R0.4 CCCCN(C)C MCULE-7202077639 [0,0,0,0,0,0|4,0,0]=4 102 B6R0.4 CCCCN(C)N MCULE-7927159797 [0,0,0,0,0,0|4,0,0]=4 103 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [0,0,0,0,0,0|2,0,1]=3 104 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [0,0,0,0,0,0|2,0,1]=3 105 B6R0.4 CCCC[C@@H](C)N MCULE-2673058676 [0,0,0,0,0,0|3,0,1]=4 106 B6R0.4 CCCC[C@@H](C)N MCULE-7666196055 [0,0,0,0,0,0|3,0,1]=4 107 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [0,0,0,0,0,0|2,0,1]=3 108 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [0,0,0,0,0,0|2,0,1]=3 109 B6R0.4 CCCC[C@H](C)N MCULE-6212068145 [0,0,0,0,0,0|3,0,1]=4 110 B6R0.4 CCCC[C@H](C)N MCULE-7818513999 [0,0,0,0,0,0|3,0,1]=4 111 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [0,0,0,0,0,0|2,0,1]=3 112 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [0,0,0,0,0,0|2,0,1]=3 113 B6R0.4 CCCNC(=N)N MCULE-6381843991 [0,0,0,0,0,0|4,0,0]=4 114 B6R0.4 CCCNC(=N)N MCULE-8286774592 [0,0,0,0,0,0|4,0,0]=4 115 B6R0.4 CCCNC(=O)C MCULE-5899703886 [0,0,0,0,0,0|3,0,0]=3 116 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [0,0,0,0,0,0|3,0,0]=3 117 B6R0.4 CCCNC(=O)N MCULE-8528844765 [0,0,0,0,0,0|3,0,0]=3 118 B6R0.4 CCCNC(=S)N MCULE-3142756488 [0,0,0,0,0,0|3,1,0]=4 119 B6R0.4 CCCOC(=O)C MCULE-7327042566 [0,0,0,0,0,0|3,0,0]=3 120 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [0,0,0,0,0,0|3,0,0]=3 121 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,0,0,0,0,0|3,0,0]=3 122 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [0,0,0,0,0,0|2,2,0]=4 123 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [0,0,0,0,0,0|2,2,0]=4 124 B6R0.4 CCCON(=O)=O MCULE-3372904250 [0,0,0,0,0,0|3,0,1]=4 125 B6R0.4 CCCSC(=N)N MCULE-4777505658 [0,0,0,0,0,0|4,0,0]=4 126 B6R0.4 CCCSC(=N)N MCULE-8873393921 [0,0,0,0,0,0|4,0,0]=4 127 B6R0.4 CCCSC(=O)C MCULE-4329646671 [0,0,0,0,0,0|3,0,0]=3 128 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [0,0,0,0,0,0|3,0,0]=3 129 B6R0.4 CCCSC(=[NH2+])N MCULE-6759252204 [0,0,0,0,0,0|4,0,0]=4 130 B6R0.4 CCNCC(=O)C MCULE-5799315547 [0,0,0,0,0,0|3,0,0]=3 131 B6R0.4 CCNCC(=O)C MCULE-9258294157 [0,0,0,0,0,0|3,0,0]=3 132 B6R0.4 CCNCC(=O)N MCULE-1787248899 [0,0,0,0,0,0|3,0,0]=3 133 B6R0.4 CCNCC(=O)N MCULE-3821700273 [0,0,0,0,0,0|3,0,0]=3 134 B6R0.4 CCNCC(=O)O MCULE-5989480216 [0,0,0,0,0,0|2,0,0]=2 135 B6R0.4 CCNCC(=O)O MCULE-8087863397 [0,0,0,0,0,0|2,0,0]=2 136 B6R0.4 CCNCC(C)O MCULE-5078068369 [0,0,0,0,0,0|3,0,1]=4 137 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [0,0,0,0,0,0|3,0,1]=4 138 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [0,0,0,0,0,0|3,0,1]=4 139 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [0,0,0,0,0,0|3,0,1]=4 140 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [0,0,0,0,0,0|3,0,1]=4 141 B6R0.4 CCOCC(=N)N MCULE-3232806707 [0,0,0,0,0,0|4,0,0]=4 142 B6R0.4 CCOCC(=N)N MCULE-4996987536 [0,0,0,0,0,0|4,0,0]=4 143 B6R0.4 CCOCC(=O)C MCULE-2825677443 [0,0,0,0,0,0|3,0,0]=3 144 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [0,0,0,0,0,0|3,0,0]=3 145 B6R0.4 CCOCC(=O)O MCULE-1726530898 [0,0,0,0,0,0|2,0,0]=2 146 B6R0.4 CCOCC(=S)N MCULE-7064672670 [0,0,0,0,0,0|3,1,0]=4 147 B6R0.4 CCOCC(C)O MCULE-6224339526 [0,0,0,0,0,0|3,0,1]=4 148 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [0,0,0,0,0,0|3,0,1]=4 149 B6R0.4 CCSCC(=O)C MCULE-9872082780 [0,0,0,0,0,0|3,0,0]=3 150 B6R0.4 CCSCC(=O)O MCULE-7471335718 [0,0,0,0,0,0|2,0,0]=2 151 B6R0.4 CNCCC(=O)N MCULE-1118876220 [0,0,0,0,0,0|2,0,0]=2 152 B6R0.4 CNCCC(=O)N MCULE-6679713144 [0,0,0,0,0,0|2,0,0]=2 153 B6R0.4 CNCCC(=O)O MCULE-3627988097 [0,0,0,0,0,0|1,0,0]=1 154 B6R0.4 CNCCC(=O)O MCULE-9858204248 [0,0,0,0,0,0|1,0,0]=1 155 B6R0.4 CNCCC(C)C MCULE-3679914556 [0,0,0,0,0,0|3,0,1]=4 156 B6R0.4 CNCCC(C)C MCULE-9679972004 [0,0,0,0,0,0|3,0,1]=4 157 B6R0.4 CNCCC(C)N MCULE-5955505029 [0,0,0,0,0,0|3,0,1]=4 158 B6R0.4 CNCCC(C)N MCULE-8933967952 [0,0,0,0,0,0|3,0,1]=4 159 B6R0.4 CNCCC(C)O MCULE-1615526002 [0,0,0,0,0,0|2,0,1]=3 160 B6R0.4 CNCCN(C)C MCULE-3324857553 [0,0,0,0,0,0|4,0,0]=4 161 B6R0.4 CNCCN(C)C MCULE-8014008412 [0,0,0,0,0,0|4,0,0]=4 162 B6R0.4 CNCCN(C)C MCULE-9954339750 [0,0,0,0,0,0|4,0,0]=4 163 B6R0.4 CNCC[C@@H](C)N MCULE-6024494304 [0,0,0,0,0,0|3,0,1]=4 164 B6R0.4 CNCC[C@H](C)N MCULE-5449372796 [0,0,0,0,0,0|3,0,1]=4 165 B6R0.4 CNCC[C@H](C)N MCULE-8157402351 [0,0,0,0,0,0|3,0,1]=4 166 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [0,0,0,0,0,0|1,1,2]=4 167 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [0,0,0,0,0,0|0,1,2]=3 168 B6R0.4 COC=CC(=O)C MCULE-4868833764 [0,0,0,0,0,0|1,1,2]=4 169 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [0,0,0,0,0,0|1,1,2]=4 170 B6R0.4 COC=CC(=O)O MCULE-4252899122 [0,0,0,0,0,0|0,1,2]=3 171 B6R0.4 COCCC(=N)N MCULE-8118559492 [0,0,0,0,0,0|2,1,0]=3 172 B6R0.4 COCCC(=N)N MCULE-9000138086 [0,0,0,0,0,0|2,1,0]=3 173 B6R0.4 COCCC(=O)C MCULE-5939812376 [0,0,0,0,0,0|1,1,0]=2 174 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [0,0,0,0,0,0|1,1,0]=2 175 B6R0.4 COCCC(=O)N MCULE-7556483675 [0,0,0,0,0,0|1,1,0]=2 176 B6R0.4 COCCC(=O)O MCULE-3436347115 [0,0,0,0,0,0|0,1,0]=1 177 B6R0.4 COCCC(C)Br MCULE-6529807745 [0,0,0,0,0,0|2,1,1]=4 178 B6R0.4 COCCC(C)C MCULE-8727768886 [0,0,0,0,0,0|2,1,1]=4 179 B6R0.4 COCCC(C)N MCULE-6183216923 [0,0,0,0,0,0|2,1,1]=4 180 B6R0.4 COCCC(C)O MCULE-6536001437 [0,0,0,0,0,0|1,1,1]=3 181 B6R0.4 COCCN(C)C MCULE-5323166567 [0,0,0,0,0,0|3,1,0]=4 182 B6R0.4 COCCN(C)N MCULE-9480733049 [0,0,0,0,0,0|3,1,0]=4 183 B6R0.4 COCC[C@H](C)N MCULE-6163336851 [0,0,0,0,0,0|2,1,1]=4 184 B6R0.4 COCC[C@H](C)N MCULE-6363449253 [0,0,0,0,0,0|2,1,1]=4 185 B6R0.4 COCNC(=O)N MCULE-8367032240 [0,0,0,0,0,0|2,1,0]=3 186 B6R0.4 COCOC(=O)C MCULE-8876091916 [0,0,0,0,0,0|2,1,0]=3 187 B6R0.4 CON=CC(=O)O MCULE-6800819509 [0,0,0,0,0,0|1,1,1]=3 188 B6R0.4 CS(=O)CCCN MCULE-1124989526 [0,0,0,0,0,0|4,0,0]=4 189 B6R0.4 CS(=O)CCCN MCULE-8758903495 [0,0,0,0,0,0|4,0,0]=4 190 B6R0.4 CSCCC(=N)N MCULE-3926353306 [0,0,0,0,0,0|2,0,0]=2 191 B6R0.4 CSCCC(=N)N MCULE-4451485733 [0,0,0,0,0,0|2,0,0]=2 192 B6R0.4 CSCCC(=O)C MCULE-6178663156 [0,0,0,0,0,0|1,0,0]=1 193 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [0,0,0,0,0,0|1,0,0]=1 194 B6R0.4 CSCCC(=O)N MCULE-7105035733 [0,0,0,0,0,0|1,0,0]=1 195 B6R0.4 CSCCC(=O)O MCULE-9550032941 [0,0,0,0,0,0|0,0,0]=0 196 B6R0.4 CSCCC(C)N MCULE-3925048385 [0,0,0,0,0,0|2,0,1]=3 197 B6R0.4 CSCCC(C)O MCULE-5934844952 [0,0,0,0,0,0|1,0,1]=2 198 B6R0.4 CSCCN(C)C MCULE-2148124964 [0,0,0,0,0,0|3,0,0]=3 199 B6R0.4 CSCCN(C)C MCULE-5176242697 [0,0,0,0,0,0|3,0,0]=3 200 B6R0.4 CSCOC(=O)C MCULE-1498769347 [0,0,0,0,0,0|2,0,0]=2 201 B6R0.4 CSSCC(=O)O MCULE-5829510166 [0,0,0,0,0,0|1,0,0]=1 202 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [0,0,0,0,0,0|3,0,1]=4 203 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [0,0,0,0,0,0|2,0,2]=4 204 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [0,0,0,0,0,0|2,0,0]=2 205 B6R0.4 N#CCNC(=O)N MCULE-9927791118 [0,0,0,0,0,0|4,0,0]=4 206 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [0,0,0,0,0,0|3,0,0]=3 207 B6R0.4 N#C[Se]CC(=O)[O-] MCULE-6957286300 [0,0,0,0,0,0|3,0,1]=4 208 B6R0.4 N#N=NCC(=O)N MCULE-8839477322 [0,0,0,0,0,0|4,0,0]=4 209 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [0,0,0,0,0,0|3,0,0]=3 210 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [0,0,0,0,0,0|3,0,0]=3 211 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,0,0,0,0,0|3,0,0]=3 212 B6R0.4 NC(=O)CN=C=S MCULE-1111706944 [0,0,0,0,0,0|4,0,0]=4 213 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [0,0,0,0,0,0|4,0,0]=4 214 B6R0.4 NC(=O)NCCF MCULE-9526714989 [0,0,0,0,0,0|4,0,0]=4 215 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,0,0,0,0,0|4,0,0]=4 216 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,0,0,0,0,0|4,0,0]=4 217 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,0,0,0,0,0|4,0,0]=4 218 B6R0.4 NC(=S)CCCO MCULE-8951145487 [0,0,0,0,0,0|3,1,0]=4 219 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [0,0,0,0,0,0|2,0,2]=4 220 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [0,0,0,0,0,0|2,0,2]=4 221 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [0,0,0,0,0,0|2,0,2]=4 222 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [0,0,0,0,0,0|2,0,2]=4 223 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [0,0,0,0,0,0|3,0,0]=3 224 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [0,0,0,0,0,0|3,0,0]=3 225 B6R0.4 NCCCC(=O)N MCULE-8039142092 [0,0,0,0,0,0|3,0,0]=3 226 B6R0.4 NCCCC(=O)N MCULE-8262250872 [0,0,0,0,0,0|3,0,0]=3 227 B6R0.4 NCCCC(=O)O MCULE-3615304273 [0,0,0,0,0,0|2,0,0]=2 228 B6R0.4 NCCCC(=O)O MCULE-7613134021 [0,0,0,0,0,0|2,0,0]=2 229 B6R0.4 NCCNC(=O)N MCULE-1197396950 [0,0,0,0,0,0|4,0,0]=4 230 B6R0.4 NCCNC(=O)N MCULE-2171700183 [0,0,0,0,0,0|4,0,0]=4 231 B6R0.4 NCCNC(=O)N MCULE-3799764813 [0,0,0,0,0,0|4,0,0]=4 232 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,0,0,0,0,0|4,0,0]=4 233 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,0,0,0,0,0|4,0,0]=4 234 B6R0.4 NOCCC(=O)O MCULE-1529492904 [0,0,0,0,0,0|1,1,0]=2 235 B6R0.4 NOCCC(=O)O MCULE-6297331357 [0,0,0,0,0,0|1,1,0]=2 236 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [0,0,0,0,0,0|3,0,0]=3 237 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [0,0,0,0,0,0|3,0,0]=3 238 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [0,0,0,0,0,0|4,0,0]=4 239 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [0,0,0,0,0,0|4,0,0]=4 240 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [0,0,0,0,0,0|4,0,0]=4 241 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [0,0,0,0,0,0|2,0,2]=4 242 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [0,0,0,0,0,0|2,0,2]=4 243 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [0,0,0,0,0,0|2,0,2]=4 244 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [0,0,0,0,0,0|2,0,2]=4 245 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [0,0,0,0,0,0|2,0,2]=4 246 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [0,0,0,0,0,0|2,0,2]=4 247 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [0,0,0,0,0,0|2,0,2]=4 248 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [0,0,0,0,0,0|2,0,2]=4 249 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [0,0,0,0,0,0|2,0,2]=4 250 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [0,0,0,0,0,0|2,0,0]=2 251 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [0,0,0,0,0,0|2,0,0]=2 252 B6R0.4 O=C(O)CCCF MCULE-2415675768 [0,0,0,0,0,0|2,0,0]=2 253 B6R0.4 O=C(O)CCCI MCULE-7794841553 [0,0,0,0,0,0|2,0,0]=2 254 B6R0.4 O=C(O)CCCS MCULE-3352840152 [0,0,0,0,0,0|2,0,0]=2 255 B6R0.4 O=C(O)CNCO MCULE-4092998319 [0,0,0,0,0,0|3,0,0]=3 256 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [0,0,0,0,0,0|2,0,1]=3 257 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [0,0,0,0,0,0|3,0,1]=4 258 B6R0.4 O=C([O-])C[N+]#C[K] MCULE-7657836645 [0,0,0,0,0,0|3,0,1]=4 259 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [0,0,0,0,0,0|2,0,0]=2 260 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [0,0,0,0,0,0|3,0,1]=4 261 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [0,0,0,0,0,0|3,0,0]=3 262 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [0,0,0,0,0,0|3,0,1]=4 263 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [0,0,0,0,0,0|3,0,1]=4 264 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [0,0,0,0,0,0|3,0,1]=4 265 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [0,0,0,0,0,0|3,0,1]=4 266 B5R0.1 C#CCC(=O)O MCULE-4680699666 [1,0,0,0,0,0|0,0,2]=3 267 B5R0.1 C(C)(N)CCC MCULE-4800297905 [1,0,0,0,0,0|2,0,1]=4 268 B5R0.1 C(C)(N)CCC MCULE-7674864567 [1,0,0,0,0,0|2,0,1]=4 269 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,0,0,0,0,0|1,0,2]=4 270 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [1,0,0,0,0,0|1,0,2]=4 271 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,0,0,0,0,0|1,0,2]=4 272 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,0,0,0,0|0,0,2]=3 273 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [1,0,0,0,0,0|3,0,0]=4 274 B5R0.1 C=C(Br)CCO MCULE-3743908958 [1,0,0,0,0,0|2,1,0]=4 275 B5R0.1 C=C(Br)COC MCULE-5349428431 [1,0,0,0,0,0|2,1,0]=4 276 B5R0.1 C=C(C)CCBr MCULE-3439794005 [1,0,0,0,0,0|3,0,0]=4 277 B5R0.1 C=C(C)CCC MCULE-8225129744 [1,0,0,0,0,0|2,0,0]=3 278 B5R0.1 C=C(C)CCCl MCULE-2816016781 [1,0,0,0,0,0|3,0,0]=4 279 B5R0.1 C=C(C)CCI MCULE-6317205481 [1,0,0,0,0,0|3,0,0]=4 280 B5R0.1 C=C(C)CCN MCULE-4037025602 [1,0,0,0,0,0|3,0,0]=4 281 B5R0.1 C=C(C)CCN MCULE-5001503744 [1,0,0,0,0,0|3,0,0]=4 282 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,0,0,0,0,0|2,1,0]=4 283 B5R0.1 C=C(C)CNC MCULE-6783886553 [1,0,0,0,0,0|3,0,0]=4 284 B5R0.1 C=C(C)CNC MCULE-8292313282 [1,0,0,0,0,0|3,0,0]=4 285 B5R0.1 C=C(C)OCC MCULE-5303468686 [1,0,0,0,0,0|3,0,0]=4 286 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [1,0,0,0,0,0|1,0,2]=4 287 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,0,0,0,0,0|1,0,2]=4 288 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,0,0,0,0,0|0,0,2]=3 289 B5R0.1 C=NCC(=O)N MCULE-7609497329 [1,0,0,0,0,0|2,0,1]=4 290 B5R0.1 CC#CC(=O)C MCULE-4083248904 [1,0,0,0,0,0|1,0,2]=4 291 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [1,0,0,0,0,0|1,0,2]=4 292 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,0,0,0,0,0|0,0,2]=3 293 B5R0.1 CC(=CCS)C MCULE-4180446913 [1,0,0,0,0,0|2,0,1]=4 294 B5R0.1 CC(=O)CC#N MCULE-7203242552 [1,0,0,0,0,0|2,0,1]=4 295 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,0,0,0,0|2,0,0]=3 296 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,0,0,0,0|2,0,0]=3 297 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,0,0,0,0|2,0,0]=3 298 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,0,0,0,0|2,0,0]=3 299 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,0,0,0,0|1,1,0]=3 300 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,0,0,0,0,0|2,1,0]=4 301 B5R0.1 CC(=O)OCBr MCULE-9842804945 [1,0,0,0,0,0|3,0,0]=4 302 B5R0.1 CC(=O)OCCl MCULE-6822222026 [1,0,0,0,0,0|3,0,0]=4 303 B5R0.1 CC(=O)SCBr MCULE-9794607323 [1,0,0,0,0,0|3,0,0]=4 304 B5R0.1 CC(C)CCS MCULE-7115473363 [1,0,0,0,0,0|2,0,1]=4 305 B5R0.1 CC(O)CCBr MCULE-7983169885 [1,0,0,0,0,0|2,0,1]=4 306 B5R0.1 CC(O)CCCl MCULE-2952545606 [1,0,0,0,0,0|2,0,1]=4 307 B5R0.1 CC(O)CCN MCULE-6836791276 [1,0,0,0,0,0|2,0,1]=4 308 B5R0.1 CC(O)CCN MCULE-7186260925 [1,0,0,0,0,0|2,0,1]=4 309 B5R0.1 CC(O)CCO MCULE-1694239851 [1,0,0,0,0,0|1,1,1]=4 310 B5R0.1 CC(O)CCO MCULE-7784884948 [1,0,0,0,0,0|1,1,1]=4 311 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,0,0,0,0,0|1,0,2]=4 312 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [1,0,0,0,0,0|1,0,2]=4 313 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,0,0,0,0,0|1,0,2]=4 314 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,0,0,0,0|0,0,2]=3 315 B5R0.1 CCC=C(C)C MCULE-2405063894 [1,0,0,0,0,0|2,0,1]=4 316 B5R0.1 CCC=C(F)F MCULE-5180612061 [1,0,0,0,0,0|2,0,1]=4 317 B5R0.1 CCCB(O)O MCULE-4994980798 [1,0,0,0,0,0|1,0,1]=3 318 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,0,0,0,0,0|2,0,0]=3 319 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,0,0,0,0,0|2,0,0]=3 320 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,0,0,0,0|1,0,0]=2 321 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,0,0,0,0|1,0,0]=2 322 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,0,0,0,0|1,0,0]=2 323 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,0,0,0,0|0,0,0]=1 324 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,0,0,0,0|0,0,1]=2 325 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,0,0,0,0|0,0,1]=2 326 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,0,0,0,0,0|1,1,0]=3 327 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,0,0,0,0|0,1,0]=2 328 B5R0.1 CCCC(C)Br MCULE-3178073667 [1,0,0,0,0,0|2,0,1]=4 329 B5R0.1 CCCC(C)C MCULE-9604552974 [1,0,0,0,0,0|2,0,1]=4 330 B5R0.1 CCCC(C)N MCULE-2640298430 [1,0,0,0,0,0|2,0,1]=4 331 B5R0.1 CCCC(C)N MCULE-7225905167 [1,0,0,0,0,0|2,0,1]=4 332 B5R0.1 CCCC(C)O MCULE-8205906299 [1,0,0,0,0,0|1,0,1]=3 333 B5R0.1 CCCC(C)S MCULE-1649095713 [1,0,0,0,0,0|1,1,1]=4 334 B5R0.1 CCCC(O)Cl MCULE-3188577082 [1,0,0,0,0,0|1,0,1]=3 335 B5R0.1 CCCN(=O)=O MCULE-5615753372 [1,0,0,0,0,0|1,0,1]=3 336 B5R0.1 CCCN(C)C MCULE-8702643596 [1,0,0,0,0,0|3,0,0]=4 337 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [1,0,0,0,0,0|1,0,1]=3 338 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [1,0,0,0,0,0|1,0,1]=3 339 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [1,0,0,0,0,0|2,0,1]=4 340 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [1,0,0,0,0,0|2,0,1]=4 341 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [1,0,0,0,0,0|2,0,1]=4 342 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [1,0,0,0,0,0|2,0,1]=4 343 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [1,0,0,0,0,0|1,0,1]=3 344 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [1,0,0,0,0,0|2,0,1]=4 345 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [1,0,0,0,0,0|2,0,1]=4 346 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [1,0,0,0,0,0|2,0,1]=4 347 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [1,0,0,0,0,0|2,0,1]=4 348 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [1,0,0,0,0,0|1,0,1]=3 349 B5R0.1 CCNC(=N)N MCULE-4729418155 [1,0,0,0,0,0|3,0,0]=4 350 B5R0.1 CCNC(=N)N MCULE-5123343071 [1,0,0,0,0,0|3,0,0]=4 351 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,0,0,0,0|2,0,0]=3 352 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,0,0,0,0|2,0,0]=3 353 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,0,0,0,0|2,0,0]=3 354 B5R0.1 CCNC(=S)N MCULE-3849517146 [1,0,0,0,0,0|2,1,0]=4 355 B5R0.1 CCOC(=N)C MCULE-3060267072 [1,0,0,0,0,0|3,0,0]=4 356 B5R0.1 CCOC(=N)C MCULE-3943786182 [1,0,0,0,0,0|3,0,0]=4 357 B5R0.1 CCOC(=N)N MCULE-3570858508 [1,0,0,0,0,0|3,0,0]=4 358 B5R0.1 CCOC(=N)N MCULE-6061063856 [1,0,0,0,0,0|3,0,0]=4 359 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,0,0,0,0|2,0,0]=3 360 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,0,0,0,0,0|2,0,0]=3 361 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,0,0,0,0|2,0,0]=3 362 B5R0.1 CCOC(=S)C MCULE-3358897597 [1,0,0,0,0,0|2,1,0]=4 363 B5R0.1 CCOC(=S)N MCULE-4649285010 [1,0,0,0,0,0|2,1,0]=4 364 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [1,0,0,0,0,0|1,2,0]=4 365 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [1,0,0,0,0,0|1,2,0]=4 366 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [1,0,0,0,0,0|1,2,0]=4 367 B5R0.1 CCSC(=N)N MCULE-2161729152 [1,0,0,0,0,0|3,0,0]=4 368 B5R0.1 CCSC(=N)N MCULE-2547252984 [1,0,0,0,0,0|3,0,0]=4 369 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,0,0,0,0|2,0,0]=3 370 B5R0.1 CCSC(=S)C MCULE-1502137460 [1,0,0,0,0,0|2,1,0]=4 371 B5R0.1 CCSC(=S)[S-] MCULE-2573650807 [1,0,0,0,0,0|1,2,0]=4 372 B5R0.1 CCSC(=S)[S-] MCULE-6172057982 [1,0,0,0,0,0|1,2,0]=4 373 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [1,0,0,0,0,0|3,0,0]=4 374 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [1,0,0,0,0,0|3,0,0]=4 375 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [1,0,0,0,0,0|3,0,0]=4 376 B5R0.1 CN(C)CCS MCULE-4356815596 [1,0,0,0,0,0|3,0,0]=4 377 B5R0.1 CN(C)CCS MCULE-4611688723 [1,0,0,0,0,0|3,0,0]=4 378 B5R0.1 CN(C)CCS MCULE-6259585517 [1,0,0,0,0,0|3,0,0]=4 379 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,0,0,0,0|2,0,0]=3 380 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,0,0,0,0|2,0,0]=3 381 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,0,0,0,0|2,0,0]=3 382 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,0,0,0,0|2,0,0]=3 383 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,0,0,0,0|2,0,0]=3 384 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,0,0,0,0,0|1,0,0]=2 385 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,0,0,0,0,0|1,0,0]=2 386 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,0,0,0,0,0|1,0,1]=3 387 B5R0.1 CNCC(C)O MCULE-3671071529 [1,0,0,0,0,0|2,0,1]=4 388 B5R0.1 CNCC(C)O MCULE-4171705304 [1,0,0,0,0,0|2,0,1]=4 389 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [1,0,0,0,0,0|2,0,1]=4 390 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [1,0,0,0,0,0|2,0,1]=4 391 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [1,0,0,0,0,0|2,0,1]=4 392 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [1,0,0,0,0,0|2,0,1]=4 393 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [1,0,0,0,0,0|2,0,1]=4 394 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [1,0,0,0,0,0|2,0,1]=4 395 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,0,0,0,0,0|3,0,0]=4 396 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,0,0,0,0,0|3,0,0]=4 397 B5R0.1 COCC(=N)N MCULE-4711728356 [1,0,0,0,0,0|2,1,0]=4 398 B5R0.1 COCC(=N)N MCULE-7163250467 [1,0,0,0,0,0|2,1,0]=4 399 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,0,0,0,0|1,1,0]=3 400 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,0,0,0,0,0|1,1,0]=3 401 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,0,0,0,0|1,1,0]=3 402 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,0,0,0,0|0,1,0]=2 403 B5R0.1 COCC(=S)N MCULE-2046809269 [1,0,0,0,0,0|1,2,0]=4 404 B5R0.1 COCC(C)O MCULE-4022733014 [1,0,0,0,0,0|1,1,1]=4 405 B5R0.1 COCC(C)O MCULE-7513310960 [1,0,0,0,0,0|1,1,1]=4 406 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [1,0,0,0,0,0|1,1,1]=4 407 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [1,0,0,0,0,0|1,1,1]=4 408 B5R0.1 COC[C@H](C)O MCULE-5908531683 [1,0,0,0,0,0|1,1,1]=4 409 B5R0.1 COC[C@H](C)O MCULE-8619138238 [1,0,0,0,0,0|1,1,1]=4 410 B5R0.1 CONC(=O)C MCULE-6601866630 [1,0,0,0,0,0|2,1,0]=4 411 B5R0.1 CONC(=O)N MCULE-3063713861 [1,0,0,0,0,0|2,1,0]=4 412 B5R0.1 CS(=O)CCBr MCULE-7846126230 [1,0,0,0,0,0|3,0,0]=4 413 B5R0.1 CS(=O)CCCl MCULE-7012781505 [1,0,0,0,0,0|3,0,0]=4 414 B5R0.1 CS(=O)CCN MCULE-6497874560 [1,0,0,0,0,0|3,0,0]=4 415 B5R0.1 CS(=O)CCN MCULE-8275663766 [1,0,0,0,0,0|3,0,0]=4 416 B5R0.1 CS(=O)CCN MCULE-8330490290 [1,0,0,0,0,0|3,0,0]=4 417 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,0,0,0,0,0|2,1,0]=4 418 B5R0.1 CSCC(=N)N MCULE-7800929509 [1,0,0,0,0,0|2,0,0]=3 419 B5R0.1 CSCC(=N)N MCULE-8499985777 [1,0,0,0,0,0|2,0,0]=3 420 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,0,0,0,0|1,0,0]=2 421 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [1,0,0,0,0,0|1,0,0]=2 422 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,0,0,0,0|1,0,0]=2 423 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,0,0,0,0,0|0,0,0]=1 424 B5R0.1 CSCC(=S)N MCULE-5029100305 [1,0,0,0,0,0|1,1,0]=3 425 B5R0.1 CSCC(C)N MCULE-7985946030 [1,0,0,0,0,0|2,0,1]=4 426 B5R0.1 CSCC(C)O MCULE-2227652351 [1,0,0,0,0,0|1,0,1]=3 427 B5R0.1 CSCN(C)C MCULE-2931143051 [1,0,0,0,0,0|3,0,0]=4 428 B5R0.1 CSCS(=O)C MCULE-3167702486 [1,0,0,0,0,0|2,0,0]=3 429 B5R0.1 CSNC(=O)C MCULE-7350061514 [1,0,0,0,0,0|2,0,0]=3 430 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [1,0,0,0,0,0|2,0,1]=4 431 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [1,0,0,0,0,0|2,0,1]=4 432 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [1,0,0,0,0,0|2,0,1]=4 433 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [1,0,0,0,0,0|2,0,1]=4 434 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [1,0,0,0,0,0|1,1,1]=4 435 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [1,0,0,0,0,0|1,1,1]=4 436 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [1,0,0,0,0,0|2,0,1]=4 437 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [1,0,0,0,0,0|2,0,1]=4 438 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [1,0,0,0,0,0|1,1,1]=4 439 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [1,0,0,0,0,0|1,1,1]=4 440 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,0,0,0,0,0|2,1,0]=4 441 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [1,0,0,0,0,0|2,0,1]=4 442 B5R0.1 N#CCC(=O)N MCULE-8538286230 [1,0,0,0,0,0|2,0,1]=4 443 B5R0.1 N#CCC(=O)O MCULE-3440765061 [1,0,0,0,0,0|1,0,1]=3 444 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [1,0,0,0,0,0|1,0,2]=4 445 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [1,0,0,0,0,0|1,0,2]=4 446 B5R0.1 N=C(N)CCCl MCULE-2314996365 [1,0,0,0,0,0|3,0,0]=4 447 B5R0.1 N=C(N)CCCl MCULE-3129838313 [1,0,0,0,0,0|3,0,0]=4 448 B5R0.1 N=C(N)CCO MCULE-4567824707 [1,0,0,0,0,0|2,1,0]=4 449 B5R0.1 N=C(N)CCO MCULE-7139693715 [1,0,0,0,0,0|2,1,0]=4 450 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,0,0,0,0|2,0,0]=3 451 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,0,0,0,0|2,0,0]=3 452 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,0,0,0,0|1,1,0]=3 453 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,0,0,0,0|1,0,0]=2 454 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,0,0,0,0,0|2,1,0]=4 455 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,0,0,0,0|2,0,0]=3 456 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,0,0,0,0|2,0,0]=3 457 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,0,0,0,0|2,0,0]=3 458 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,0,0,0,0|1,0,0]=2 459 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,0,0,0,0|1,0,0]=2 460 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,0,0,0,0|1,0,0]=2 461 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,0,0,0,0|1,0,1]=3 462 B5R0.1 NCCN(=O)=O MCULE-8137427440 [1,0,0,0,0,0|2,0,1]=4 463 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,0,0,0,0,0|2,0,0]=3 464 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,0,0,0,0,0|2,0,0]=3 465 B5R0.1 NNCC(=O)N MCULE-2794619708 [1,0,0,0,0,0|3,0,0]=4 466 B5R0.1 NNCC(=O)N MCULE-6773156087 [1,0,0,0,0,0|3,0,0]=4 467 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,0,0,0,0,0|2,0,0]=3 468 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,0,0,0,0,0|2,0,0]=3 469 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,0,0,0,0,0|1,1,0]=3 470 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,0,0,0,0,0|1,1,0]=3 471 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,0,0,0,0,0|1,1,0]=3 472 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,0,0,0,0,0|2,0,0]=3 473 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,0,0,0,0,0|2,0,0]=3 474 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,0,0,0,0,0|2,0,0]=3 475 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [1,0,0,0,0,0|3,0,0]=4 476 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,0,0,0,0,0|1,0,2]=4 477 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,0,0,0,0,0|1,0,2]=4 478 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,0,0,0,0,0|1,0,2]=4 479 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,0,0,0,0,0|1,0,2]=4 480 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,0,0,0,0,0|1,0,2]=4 481 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,0,0,0,0,0|1,0,2]=4 482 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [1,0,0,0,0,0|1,1,1]=4 483 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [1,0,0,0,0,0|1,0,2]=4 484 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,0,0,0,0,0|1,0,2]=4 485 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,0,0,0,0,0|1,0,2]=4 486 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,0,0,0,0,0|1,0,2]=4 487 B5R0.1 O=C(O)C=NO MCULE-2039309679 [1,0,0,0,0,0|1,1,1]=4 488 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,0,0,0,0|1,0,0]=2 489 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,0,0,0,0|1,0,0]=2 490 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,0,0,0,0|1,0,0]=2 491 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,0,0,0,0|1,0,0]=2 492 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,0,0,0,0|0,1,0]=2 493 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,0,0,0,0|0,0,0]=1 494 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,0,0,0,0,0|1,1,0]=3 495 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,0,0,0,0|0,1,1]=3 496 B5R0.1 O=N(=O)CCO MCULE-2060841405 [1,0,0,0,0,0|1,1,1]=4 497 B5R0.1 O=N(=O)CCS MCULE-4845430658 [1,0,0,0,0,0|1,0,1]=3 498 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [1,0,0,0,0,0|1,0,1]=3 499 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [1,0,0,0,0,0|2,0,1]=4 500 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [1,0,0,0,0,0|1,0,1]=3 501 B5R0.2 C#CCCC=C MCULE-4858099861 [1,0,0,0,0,0|2,0,1]=4 502 B5R0.2 C#CCCC=O MCULE-9994552907 [1,0,0,0,0,0|1,0,1]=3 503 B5R0.2 C#CCCCC MCULE-5706969297 [1,0,0,0,0,0|2,0,1]=4 504 B5R0.2 C#CCCCO MCULE-6360852809 [1,0,0,0,0,0|1,0,2]=4 505 B5R0.2 C#CCCNC MCULE-1590490287 [1,0,0,0,0,0|2,0,1]=4 506 B5R0.2 C#CCCNC MCULE-4004733974 [1,0,0,0,0,0|2,0,1]=4 507 B5R0.2 C#CCCNC MCULE-7566671614 [1,0,0,0,0,0|2,0,1]=4 508 B5R0.2 C#CCCOC MCULE-7152168835 [1,0,0,0,0,0|1,1,1]=4 509 B5R0.2 C/C=C/CCC MCULE-9851656818 [1,0,0,0,0,0|2,0,1]=4 510 B5R0.2 C/C=C/CCO MCULE-3952855392 [1,0,0,0,0,0|1,0,2]=4 511 B5R0.2 C/C=C\CCC MCULE-1013657748 [1,0,0,0,0,0|2,0,1]=4 512 B5R0.2 C=CC/C=C/C MCULE-8732875285 [1,0,0,0,0,0|2,0,1]=4 513 B5R0.2 C=CCC=CC MCULE-8643449832 [1,0,0,0,0,0|2,0,1]=4 514 B5R0.2 C=CCCC#N MCULE-8967750268 [1,0,0,0,0,0|3,0,0]=4 515 B5R0.2 C=CCCC=C MCULE-2599309974 [1,0,0,0,0,0|2,0,1]=4 516 B5R0.2 C=CCCC=O MCULE-7850336174 [1,0,0,0,0,0|1,0,1]=3 517 B5R0.2 C=CCCCBr MCULE-5027518679 [1,0,0,0,0,0|3,0,0]=4 518 B5R0.2 C=CCCCC MCULE-4750698031 [1,0,0,0,0,0|2,0,0]=3 519 B5R0.2 C=CCCCCl MCULE-3877430809 [1,0,0,0,0,0|3,0,0]=4 520 B5R0.2 C=CCCCI MCULE-8692831514 [1,0,0,0,0,0|3,0,0]=4 521 B5R0.2 C=CCCCN MCULE-5787926547 [1,0,0,0,0,0|3,0,0]=4 522 B5R0.2 C=CCCCN MCULE-7346989227 [1,0,0,0,0,0|3,0,0]=4 523 B5R0.2 C=CCCCO MCULE-5946342321 [1,0,0,0,0,0|1,0,2]=4 524 B5R0.2 C=CCCNC MCULE-2124263362 [1,0,0,0,0,0|2,0,0]=3 525 B5R0.2 C=CCCNC MCULE-5024925990 [1,0,0,0,0,0|2,0,0]=3 526 B5R0.2 C=CCCOC MCULE-4681354270 [1,0,0,0,0,0|1,1,0]=3 527 B5R0.2 C=CCCON MCULE-3476228435 [1,0,0,0,0,0|2,1,0]=4 528 B5R0.2 C=CCCON MCULE-9206052895 [1,0,0,0,0,0|2,1,0]=4 529 B5R0.2 C=CCNC=O MCULE-1911798514 [1,0,0,0,0,0|2,0,1]=4 530 B5R0.2 C=CCNCC MCULE-6987567673 [1,0,0,0,0,0|3,0,0]=4 531 B5R0.2 C=CCNCC MCULE-8318544337 [1,0,0,0,0,0|3,0,0]=4 532 B5R0.2 C=CCOC=O MCULE-4161785970 [1,0,0,0,0,0|2,0,1]=4 533 B5R0.2 C=CCOCC MCULE-4363356618 [1,0,0,0,0,0|3,0,0]=4 534 B5R0.2 C=CCONC MCULE-4537899476 [1,0,0,0,0,0|3,0,0]=4 535 B5R0.2 C=CCONC MCULE-9645204142 [1,0,0,0,0,0|3,0,0]=4 536 B5R0.2 C=CCSCC MCULE-3816911529 [1,0,0,0,0,0|3,0,0]=4 537 B5R0.2 C=CCSSC MCULE-8417830164 [1,0,0,0,0,0|2,0,0]=3 538 B5R0.2 C=COCCC MCULE-4423853666 [1,0,0,0,0,0|3,0,0]=4 539 B5R0.2 CC#CCC=O MCULE-6071390808 [1,0,0,0,0,0|1,0,1]=3 540 B5R0.2 CC#CCCO MCULE-9400138491 [1,0,0,0,0,0|1,0,2]=4 541 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,0,0,0,0,0|1,0,2]=4 542 B5R0.2 CC=CCCC MCULE-8736231124 [1,0,0,0,0,0|2,0,1]=4 543 B5R0.2 CC=CCCO MCULE-4302367089 [1,0,0,0,0,0|1,0,2]=4 544 B5R0.2 CC=CSSC MCULE-2442770677 [1,0,0,0,0,0|2,0,1]=4 545 B5R0.2 CCC#CC=O MCULE-3889262436 [1,0,0,0,0,0|1,0,2]=4 546 B5R0.2 CCC=CC=O MCULE-1318250395 [1,0,0,0,0,0|1,0,2]=4 547 B5R0.2 CCCC=NO MCULE-7364375780 [1,0,0,0,0,0|2,0,1]=4 548 B5R0.2 CCCCC#N MCULE-4015236167 [1,0,0,0,0,0|2,0,1]=4 549 B5R0.2 CCCCC=O MCULE-4736782822 [1,0,0,0,0,0|1,0,0]=2 550 B5R0.2 CCCCCBr MCULE-8513521912 [1,0,0,0,0,0|2,0,1]=4 551 B5R0.2 CCCCCC MCULE-3465692202 [1,0,0,0,0,0|2,0,1]=4 552 B5R0.2 CCCCCCl MCULE-4412759460 [1,0,0,0,0,0|2,0,1]=4 553 B5R0.2 CCCCCF MCULE-6399883281 [1,0,0,0,0,0|2,0,1]=4 554 B5R0.2 CCCCCI MCULE-4590300793 [1,0,0,0,0,0|2,0,1]=4 555 B5R0.2 CCCCCN MCULE-3371742982 [1,0,0,0,0,0|2,0,1]=4 556 B5R0.2 CCCCCN MCULE-4371067300 [1,0,0,0,0,0|2,0,1]=4 557 B5R0.2 CCCCCN MCULE-6547961798 [1,0,0,0,0,0|2,0,1]=4 558 B5R0.2 CCCCCN MCULE-7483248760 [1,0,0,0,0,0|2,0,1]=4 559 B5R0.2 CCCCCO MCULE-8714292632 [1,0,0,0,0,0|1,0,1]=3 560 B5R0.2 CCCCCS MCULE-5476379340 [1,0,0,0,0,0|1,1,1]=4 561 B5R0.2 CCCCNC MCULE-9321610906 [1,0,0,0,0,0|2,0,1]=4 562 B5R0.2 CCCCNN MCULE-6681305566 [1,0,0,0,0,0|3,0,0]=4 563 B5R0.2 CCCCNN MCULE-6890760890 [1,0,0,0,0,0|3,0,0]=4 564 B5R0.2 CCCCNN MCULE-7362497327 [1,0,0,0,0,0|3,0,0]=4 565 B5R0.2 CCCCNN MCULE-8463623644 [1,0,0,0,0,0|3,0,0]=4 566 B5R0.2 CCCCNO MCULE-1911206569 [1,0,0,0,0,0|2,0,0]=3 567 B5R0.2 CCCCNO MCULE-3820646216 [1,0,0,0,0,0|2,0,0]=3 568 B5R0.2 CCCCOC MCULE-9814272675 [1,0,0,0,0,0|1,1,1]=4 569 B5R0.2 CCCCON MCULE-7582349983 [1,0,0,0,0,0|3,0,0]=4 570 B5R0.2 CCCCON MCULE-8175627798 [1,0,0,0,0,0|3,0,0]=4 571 B5R0.2 CCCCSC MCULE-2799775567 [1,0,0,0,0,0|1,0,1]=3 572 B5R0.2 CCCN=C=O MCULE-9014468293 [1,0,0,0,0,0|2,0,1]=4 573 B5R0.2 CCCNC=O MCULE-6344556391 [1,0,0,0,0,0|2,0,0]=3 574 B5R0.2 CCCOC=O MCULE-3133604529 [1,0,0,0,0,0|2,0,0]=3 575 B5R0.2 CCCSSC MCULE-3127072032 [1,0,0,0,0,0|2,0,1]=4 576 B5R0.2 CCNCCO MCULE-2537734730 [1,0,0,0,0,0|2,0,1]=4 577 B5R0.2 CCNCCO MCULE-3738714907 [1,0,0,0,0,0|2,0,1]=4 578 B5R0.2 CCOCCO MCULE-4311513289 [1,0,0,0,0,0|2,0,1]=4 579 B5R0.2 CCSCC=O MCULE-8069035019 [1,0,0,0,0,0|2,0,0]=3 580 B5R0.2 CCSCCO MCULE-3557086162 [1,0,0,0,0,0|2,0,1]=4 581 B5R0.2 CNCCC#N MCULE-6686234290 [1,0,0,0,0,0|2,0,1]=4 582 B5R0.2 CNCCCBr MCULE-3376600253 [1,0,0,0,0,0|2,0,1]=4 583 B5R0.2 CNCCCBr MCULE-6212326106 [1,0,0,0,0,0|2,0,1]=4 584 B5R0.2 CNCCCCl MCULE-1007719210 [1,0,0,0,0,0|2,0,1]=4 585 B5R0.2 CNCCCCl MCULE-6146901643 [1,0,0,0,0,0|2,0,1]=4 586 B5R0.2 CNCCCF MCULE-7647417887 [1,0,0,0,0,0|2,0,1]=4 587 B5R0.2 CNCCCN MCULE-1736081896 [1,0,0,0,0,0|2,0,1]=4 588 B5R0.2 CNCCCO MCULE-9530478547 [1,0,0,0,0,0|1,0,1]=3 589 B5R0.2 CNCCNC MCULE-1378979868 [1,0,0,0,0,0|3,0,0]=4 590 B5R0.2 CNCCNC MCULE-3281508478 [1,0,0,0,0,0|3,0,0]=4 591 B5R0.2 CNCCOC MCULE-2857904484 [1,0,0,0,0,0|2,1,0]=4 592 B5R0.2 CNCCOC MCULE-5342712496 [1,0,0,0,0,0|2,1,0]=4 593 B5R0.2 CNCCSC MCULE-2812984399 [1,0,0,0,0,0|2,0,0]=3 594 B5R0.2 CNCCSC MCULE-2942435951 [1,0,0,0,0,0|2,0,0]=3 595 B5R0.2 COCCC#N MCULE-3009737584 [1,0,0,0,0,0|1,1,1]=4 596 B5R0.2 COCCC=O MCULE-2812117208 [1,0,0,0,0,0|0,1,0]=2 597 B5R0.2 COCCCBr MCULE-6489536401 [1,0,0,0,0,0|1,1,1]=4 598 B5R0.2 COCCCCl MCULE-9192274624 [1,0,0,0,0,0|1,1,1]=4 599 B5R0.2 COCCCF MCULE-5055725246 [1,0,0,0,0,0|1,1,1]=4 600 B5R0.2 COCCCI MCULE-9111605439 [1,0,0,0,0,0|1,1,1]=4 601 B5R0.2 COCCCN MCULE-1421362990 [1,0,0,0,0,0|1,1,1]=4 602 B5R0.2 COCCCN MCULE-4783132205 [1,0,0,0,0,0|1,1,1]=4 603 B5R0.2 COCCCO MCULE-4041418048 [1,0,0,0,0,0|0,1,1]=3 604 B5R0.2 COCCCS MCULE-2371333731 [1,0,0,0,0,0|0,2,1]=4 605 B5R0.2 COCCNN MCULE-2086510453 [1,0,0,0,0,0|2,1,0]=4 606 B5R0.2 COCCNN MCULE-4830987822 [1,0,0,0,0,0|2,1,0]=4 607 B5R0.2 COCCNN MCULE-8361975855 [1,0,0,0,0,0|2,1,0]=4 608 B5R0.2 COCCOC MCULE-7572196731 [1,0,0,0,0,0|2,1,0]=4 609 B5R0.2 COCCON MCULE-3507489398 [1,0,0,0,0,0|2,1,0]=4 610 B5R0.2 COCCON MCULE-8506879697 [1,0,0,0,0,0|2,1,0]=4 611 B5R0.2 COCCSC MCULE-5362054021 [1,0,0,0,0,0|2,0,0]=3 612 B5R0.2 COCN=C=O MCULE-6951734265 [1,0,0,0,0,0|1,1,1]=4 613 B5R0.2 CONCCO MCULE-9787830121 [1,0,0,0,0,0|1,1,1]=4 614 B5R0.2 CSCCC#N MCULE-5755086116 [1,0,0,0,0,0|1,0,1]=3 615 B5R0.2 CSCCC=O MCULE-6273241704 [1,0,0,0,0,0|0,0,0]=1 616 B5R0.2 CSCCCBr MCULE-8399851816 [1,0,0,0,0,0|1,0,1]=3 617 B5R0.2 CSCCCCl MCULE-1829120476 [1,0,0,0,0,0|1,0,1]=3 618 B5R0.2 CSCCCN MCULE-1030938424 [1,0,0,0,0,0|1,0,1]=3 619 B5R0.2 CSCCCN MCULE-4664984921 [1,0,0,0,0,0|1,0,1]=3 620 B5R0.2 CSCCCO MCULE-9232413185 [1,0,0,0,0,0|0,0,1]=2 621 B5R0.2 CSCCCS MCULE-8405766359 [1,0,0,0,0,0|0,1,1]=3 622 B5R0.2 CSCCON MCULE-9125601960 [1,0,0,0,0,0|2,0,0]=3 623 B5R0.2 CSSCCN MCULE-7065189564 [1,0,0,0,0,0|2,0,1]=4 624 B5R0.2 CSSCCN MCULE-8654200268 [1,0,0,0,0,0|2,0,1]=4 625 B5R0.2 N#CCCC=O MCULE-9521735106 [1,0,0,0,0,0|2,0,0]=3 626 B5R0.2 N#CCCCO MCULE-2108386837 [1,0,0,0,0,0|2,0,1]=4 627 B5R0.2 N#CCOC=O MCULE-4453241991 [1,0,0,0,0,0|3,0,0]=4 628 B5R0.2 N#N=NCC=O MCULE-8370335984 [1,0,0,0,0,0|3,0,0]=4 629 B5R0.2 NCCCCO MCULE-7395674091 [1,0,0,0,0,0|2,0,1]=4 630 B5R0.2 NNCCCO MCULE-5557482626 [1,0,0,0,0,0|2,0,1]=4 631 B5R0.2 NNCCCO MCULE-7351853032 [1,0,0,0,0,0|2,0,1]=4 632 B5R0.2 NNCCCO MCULE-7919314403 [1,0,0,0,0,0|2,0,1]=4 633 B5R0.2 NOCCCO MCULE-1072312935 [1,0,0,0,0,0|1,1,1]=4 634 B5R0.2 NOCCCO MCULE-3715520109 [1,0,0,0,0,0|1,1,1]=4 635 B5R0.2 O=CCCC=O MCULE-3362810468 [1,0,0,0,0,0|2,0,0]=3 636 B5R0.2 O=CCCC=O MCULE-3813951568 [1,0,0,0,0,0|2,0,0]=3 637 B5R0.2 O=CCCCBr MCULE-7239613396 [1,0,0,0,0,0|2,0,0]=3 638 B5R0.2 O=CCCCCl MCULE-3011225716 [1,0,0,0,0,0|2,0,0]=3 639 B5R0.2 O=CCCCI MCULE-3153720790 [1,0,0,0,0,0|2,0,0]=3 640 B5R0.2 O=CCCCO MCULE-8728420992 [1,0,0,0,0,0|2,0,0]=3 641 B5R0.2 O=CNCCO MCULE-3688614090 [1,0,0,0,0,0|3,0,0]=4 642 B5R0.2 O=COCCO MCULE-1922672843 [1,0,0,0,0,0|3,0,0]=4 643 B5R0.2 OC=CCCBr MCULE-3964604828 [1,0,0,0,0,0|2,0,1]=4 644 B5R0.2 OC=CCCBr MCULE-5728835735 [1,0,0,0,0,0|2,0,1]=4 645 B5R0.2 OCCCCBr MCULE-9231591925 [1,0,0,0,0,0|2,0,1]=4 646 B5R0.2 OCCCCCl MCULE-3507644812 [1,0,0,0,0,0|2,0,1]=4 647 B5R0.2 OCCCCF MCULE-9242285588 [1,0,0,0,0,0|2,0,1]=4 648 B5R0.2 OCCCCI MCULE-8723720522 [1,0,0,0,0,0|2,0,1]=4 649 B5R0.2 OCCCCO MCULE-2010022287 [1,0,0,0,0,0|2,0,1]=4 650 B5R0.2 OCCCCO MCULE-6551106098 [1,0,0,0,0,0|2,0,1]=4 651 B5R0.2 OCCCCS MCULE-8169490949 [1,0,0,0,0,0|2,0,1]=4 652 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,1,0,0,0,0|1,0,1]=3 653 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,1,0,0,0,0|2,0,0]=3 654 B7R0.2 C=C(C)CC(C)CC MCULE-1001667584 [0,1,0,0,0,0|3,0,0]=4 655 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,1,0,0,0,0|1,0,1]=3 656 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,1,0,0,0,0|1,0,1]=3 657 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,1,0,0,0,0|1,0,1]=3 658 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,1,0,0,0,0|1,0,1]=3 659 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,1,0,0,0,0|2,0,0]=3 660 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,1,0,0,0,0|2,0,0]=3 661 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [0,1,0,0,0,0|3,0,0]=4 662 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,1,0,0,0,0|2,0,0]=3 663 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,1,0,0,0,0|2,0,0]=3 664 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,1,0,0,0,0|1,0,2]=4 665 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,1,0,0,0,0|2,0,1]=4 666 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,1,0,0,0,0|1,0,1]=3 667 B7R0.2 CCC(C)CB(O)O MCULE-4978906892 [0,1,0,0,0,0|2,0,1]=4 668 B7R0.2 CCC(C)CC(=N)N MCULE-6434778899 [0,1,0,0,0,0|3,0,0]=4 669 B7R0.2 CCC(C)CC(=N)N MCULE-7964734356 [0,1,0,0,0,0|3,0,0]=4 670 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [0,1,0,0,0,0|2,0,0]=3 671 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [0,1,0,0,0,0|2,0,0]=3 672 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,1,0,0,0,0|1,0,0]=2 673 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,1,0,0,0,0|1,0,0]=2 674 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,1,0,0,0,0|3,0,0]=4 675 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,1,0,0,0,0|3,0,0]=4 676 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [0,1,0,0,0,0|3,0,0]=4 677 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [0,1,0,0,0,0|3,0,0]=4 678 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,1,0,0,0,0|1,0,0]=2 679 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,1,0,0,0,0|1,0,0]=2 680 B7R0.2 CCC(N)CC(C)O MCULE-1447243469 [0,1,0,0,0,0|2,0,1]=4 681 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,1,0,0,0,0|2,0,0]=3 682 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,1,0,0,0,0|1,0,0]=2 683 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [0,1,0,0,0,0|2,0,1]=4 684 B7R0.2 CCC(O)CN(=O)=O MCULE-6965491054 [0,1,0,0,0,0|2,0,1]=4 685 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [0,1,0,0,0,0|3,0,0]=4 686 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [0,1,0,0,0,0|3,0,0]=4 687 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,1,0,0,0,0|2,0,0]=3 688 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,1,0,0,0,0|2,0,0]=3 689 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,1,0,0,0,0|1,0,0]=2 690 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,1,0,0,0,0|1,0,0]=2 691 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,1,0,0,0,0|1,0,0]=2 692 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,1,0,0,0,0|1,0,0]=2 693 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,1,0,0,0,0|1,0,0]=2 694 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,1,0,0,0,0|1,0,0]=2 695 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,1,0,0,0,0|1,0,0]=2 696 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,1,0,0,0,0|1,0,0]=2 697 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,1,0,0,0,0|1,0,0]=2 698 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,1,0,0,0,0|1,0,0]=2 699 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,1,0,0,0,0|1,0,0]=2 700 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,1,0,0,0,0|1,0,0]=2 701 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,1,0,0,0,0|3,0,0]=4 702 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [0,1,0,0,0,0|3,0,0]=4 703 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,1,0,0,0,0|2,0,1]=4 704 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,1,0,0,0,0|1,0,1]=3 705 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [0,1,0,0,0,0|2,0,0]=3 706 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [0,1,0,0,0,0|2,0,0]=3 707 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,1,0,0,0,0|1,0,0]=2 708 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,1,0,0,0,0|1,0,0]=2 709 B7R0.2 CNC(C)CS(=O)C MCULE-5598071425 [0,1,0,0,0,0|3,0,0]=4 710 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [0,1,0,0,0,0|0,1,2]=4 711 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [0,1,0,0,0,0|0,1,2]=4 712 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,1,0,0,0,0|1,1,1]=4 713 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,1,0,0,0,0|1,1,1]=4 714 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,1,0,0,0,0|1,1,1]=4 715 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,1,0,0,0,0|0,1,1]=3 716 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,1,0,0,0,0|0,1,2]=4 717 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,1,0,0,0,0|0,1,0]=2 718 B7R0.2 COC(C)CC(C)O MCULE-3635789827 [0,1,0,0,0,0|1,1,1]=4 719 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,1,0,0,0,0|0,0,0]=1 720 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,1,0,0,0,0|2,0,0]=3 721 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,1,0,0,0,0|2,0,0]=3 722 B7R0.2 N#CC(N)CC(=O)N MCULE-6918234601 [0,1,0,0,0,0|3,0,0]=4 723 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,1,0,0,0,0|2,0,1]=4 724 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,1,0,0,0,0|2,0,0]=3 725 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,1,0,0,0,0|2,0,0]=3 726 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,1,0,0,0,0|2,0,0]=3 727 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,1,0,0,0,0|2,0,0]=3 728 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,1,0,0,0,0|2,0,0]=3 729 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,1,0,0,0,0|2,0,0]=3 730 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [0,1,0,0,0,0|3,0,0]=4 731 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [0,1,0,0,0,0|3,0,0]=4 732 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,1,0,0,0,0|2,0,0]=3 733 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,1,0,0,0,0|2,0,0]=3 734 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,1,0,0,0,0|2,0,0]=3 735 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,1,0,0,0,0|2,0,0]=3 736 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,1,0,0,0,0|2,0,0]=3 737 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,1,0,0,0,0|2,0,0]=3 738 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,1,0,0,0,0|2,0,0]=3 739 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,1,0,0,0,0|2,0,0]=3 740 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,1,0,0,0,0|2,0,0]=3 741 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,1,0,0,0,0|2,0,0]=3 742 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,1,0,0,0,0|2,0,0]=3 743 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,1,0,0,0,0|2,0,0]=3 744 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,1,0,0,0,0|2,0,1]=4 745 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,1,0,0,0,0|2,0,1]=4 746 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,1,0,0,0,0|2,0,0]=3 747 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,1,0,0,0,0|2,0,0]=3 748 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,1,0,0,0,0|2,0,1]=4 749 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,1,0,0,0,0|2,0,1]=4 750 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,1,0,0,0,0|3,0,0]=4 751 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [0,1,0,0,0,0|3,0,0]=4 752 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,1,0,0,0,0|2,0,1]=4 753 B7R0.3 C#CC(O)CCCC MCULE-8547184224 [0,1,0,0,0,0|2,0,1]=4 754 B7R0.3 C#CCCC(=O)OC MCULE-8778440511 [0,1,0,0,0,0|1,0,1]=3 755 B7R0.3 C#CCNC(=O)OC MCULE-3058580094 [0,1,0,0,0,0|2,0,1]=4 756 B7R0.3 C#CCOC(=O)OC MCULE-7912235498 [0,1,0,0,0,0|2,0,1]=4 757 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [0,1,0,0,0,0|1,0,1]=3 758 B7R0.3 C=C(C=O)CCC#N MCULE-3479954551 [0,1,0,0,0,0|3,0,0]=4 759 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [0,1,0,0,0,0|2,0,0]=3 760 B7R0.3 C=C(CC)CCCC MCULE-5118701402 [0,1,0,0,0,0|3,0,0]=4 761 B7R0.3 C=CC(=O)CCCCl MCULE-7188402172 [0,1,0,0,0,0|3,0,0]=4 762 B7R0.3 C=CC(=O)NCCC MCULE-5704500398 [0,1,0,0,0,0|3,0,0]=4 763 B7R0.3 C=CC(=O)OCCC MCULE-5292603407 [0,1,0,0,0,0|3,0,0]=4 764 B7R0.3 C=CC(O)CCCC MCULE-1674668011 [0,1,0,0,0,0|2,0,1]=4 765 B7R0.3 C=CCCC(=O)CBr MCULE-8443541398 [0,1,0,0,0,0|2,0,1]=4 766 B7R0.3 C=CCCC(=O)CC MCULE-7933484898 [0,1,0,0,0,0|2,0,1]=4 767 B7R0.3 C=CCCC(=O)CCl MCULE-4669619111 [0,1,0,0,0,0|2,0,1]=4 768 B7R0.3 C=CCCC(=O)NC MCULE-9859680580 [0,1,0,0,0,0|2,0,1]=4 769 B7R0.3 C=CCCC(=O)NN MCULE-1170308182 [0,1,0,0,0,0|2,0,1]=4 770 B7R0.3 C=CCCC(=O)OC MCULE-8671478952 [0,1,0,0,0,0|1,0,1]=3 771 B7R0.3 C=CCCC(=S)OC MCULE-4709907145 [0,1,0,0,0,0|1,1,1]=4 772 B7R0.3 C=CCNC(=O)CO MCULE-1240234665 [0,1,0,0,0,0|2,0,1]=4 773 B7R0.3 C=CCOC(=O)OC MCULE-9416609870 [0,1,0,0,0,0|2,0,1]=4 774 B7R0.3 CC#CCC(=O)OC MCULE-4727663716 [0,1,0,0,0,0|1,0,1]=3 775 B7R0.3 CC/C=C/C(=O)OC MCULE-5661442711 [0,1,0,0,0,0|1,0,2]=4 776 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [0,1,0,0,0,0|1,0,1]=3 777 B7R0.3 CCC(=O)CCCBr MCULE-3298679210 [0,1,0,0,0,0|3,0,0]=4 778 B7R0.3 CCC(=O)CCCCl MCULE-3397599793 [0,1,0,0,0,0|3,0,0]=4 779 B7R0.3 CCC(=O)OCOC MCULE-8101176829 [0,1,0,0,0,0|2,1,0]=4 780 B7R0.3 CCC(O)CCOC MCULE-1245099360 [0,1,0,0,0,0|1,1,1]=4 781 B7R0.3 CCC=CC(=O)OC MCULE-2390679048 [0,1,0,0,0,0|1,0,2]=4 782 B7R0.3 CCCC/C(=N/O)/N MCULE-2186271962 [0,1,0,0,0,0|2,0,0]=3 783 B7R0.3 CCCCC(=N)OC MCULE-3917139857 [0,1,0,0,0,0|2,0,0]=3 784 B7R0.3 CCCCC(=N)OC MCULE-8394549097 [0,1,0,0,0,0|2,0,0]=3 785 B7R0.3 CCCCC(=NO)C MCULE-8239265636 [0,1,0,0,0,0|2,0,0]=3 786 B7R0.3 CCCCC(=O)CBr MCULE-5866288227 [0,1,0,0,0,0|2,0,0]=3 787 B7R0.3 CCCCC(=O)CC MCULE-7758340382 [0,1,0,0,0,0|2,0,0]=3 788 B7R0.3 CCCCC(=O)CCl MCULE-9673190063 [0,1,0,0,0,0|2,0,0]=3 789 B7R0.3 CCCCC(=O)NC MCULE-6810865419 [0,1,0,0,0,0|2,0,0]=3 790 B7R0.3 CCCCC(=O)NN MCULE-9535710488 [0,1,0,0,0,0|2,0,0]=3 791 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [0,1,0,0,0,0|1,0,0]=2 792 B7R0.3 CCCCC(Cl)C=O MCULE-7474969991 [0,1,0,0,0,0|2,0,1]=4 793 B7R0.3 CCCCC(N)CO MCULE-1874423109 [0,1,0,0,0,0|2,0,1]=4 794 B7R0.3 CCCCC(N)CO MCULE-2041767659 [0,1,0,0,0,0|2,0,1]=4 795 B7R0.3 CCCCC(N)CO MCULE-4533575851 [0,1,0,0,0,0|2,0,1]=4 796 B7R0.3 CCCCC(N)CO MCULE-7141990411 [0,1,0,0,0,0|2,0,1]=4 797 B7R0.3 CCCCC(O)CBr MCULE-8416535559 [0,1,0,0,0,0|2,0,1]=4 798 B7R0.3 CCCCC(O)CC MCULE-3912386534 [0,1,0,0,0,0|2,0,1]=4 799 B7R0.3 CCCCC(O)CN MCULE-1383380728 [0,1,0,0,0,0|2,0,1]=4 800 B7R0.3 CCCCC(O)CO MCULE-6903923961 [0,1,0,0,0,0|1,0,2]=4 801 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [0,1,0,0,0,0|2,0,1]=4 802 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [0,1,0,0,0,0|2,0,1]=4 803 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [0,1,0,0,0,0|2,0,1]=4 804 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [0,1,0,0,0,0|2,0,1]=4 805 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [0,1,0,0,0,0|2,0,1]=4 806 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [0,1,0,0,0,0|2,0,1]=4 807 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [0,1,0,0,0,0|2,0,1]=4 808 B7R0.3 CCCNC(=O)CBr MCULE-3357000060 [0,1,0,0,0,0|3,0,0]=4 809 B7R0.3 CCCNC(=O)CCl MCULE-3171078913 [0,1,0,0,0,0|3,0,0]=4 810 B7R0.3 CCCNC(=O)CN MCULE-2964958967 [0,1,0,0,0,0|3,0,0]=4 811 B7R0.3 CCCNC(=O)CN MCULE-4880764199 [0,1,0,0,0,0|3,0,0]=4 812 B7R0.3 CCCNC(=O)NN MCULE-9369722445 [0,1,0,0,0,0|3,0,0]=4 813 B7R0.3 CCCOC(=O)CBr MCULE-9392658897 [0,1,0,0,0,0|3,0,0]=4 814 B7R0.3 CCCOC(=O)CC MCULE-2749425161 [0,1,0,0,0,0|3,0,0]=4 815 B7R0.3 CCCOC(=O)CCl MCULE-4900509903 [0,1,0,0,0,0|3,0,0]=4 816 B7R0.3 CCCOC(=O)CN MCULE-5016724090 [0,1,0,0,0,0|3,0,0]=4 817 B7R0.3 CCCOC(=O)CN MCULE-9899563764 [0,1,0,0,0,0|3,0,0]=4 818 B7R0.3 CCCOC(=O)CS MCULE-7918412380 [0,1,0,0,0,0|2,1,0]=4 819 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [0,1,0,0,0,0|2,0,0]=3 820 B7R0.3 CCNCC(=O)NC MCULE-6292959559 [0,1,0,0,0,0|3,0,0]=4 821 B7R0.3 CCNCC(=O)OC MCULE-7988488004 [0,1,0,0,0,0|2,0,0]=3 822 B7R0.3 CCNCC(=O)OC MCULE-9483901468 [0,1,0,0,0,0|2,0,0]=3 823 B7R0.3 CCOCC(=O)CCl MCULE-3495077500 [0,1,0,0,0,0|3,0,0]=4 824 B7R0.3 CCOCC(=O)NN MCULE-1157330147 [0,1,0,0,0,0|3,0,0]=4 825 B7R0.3 CCOCC(=O)NN MCULE-3371253482 [0,1,0,0,0,0|3,0,0]=4 826 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [0,1,0,0,0,0|2,0,0]=3 827 B7R0.3 CCSCC(=O)NN MCULE-2532030709 [0,1,0,0,0,0|3,0,0]=4 828 B7R0.3 CCSCC(=O)OC MCULE-2538182357 [0,1,0,0,0,0|2,0,0]=3 829 B7R0.3 CNC(=O)CCCCl MCULE-9460684794 [0,1,0,0,0,0|3,0,0]=4 830 B7R0.3 CNC(=O)CCCN MCULE-4766031038 [0,1,0,0,0,0|3,0,0]=4 831 B7R0.3 CNC(=O)CCCN MCULE-8992476653 [0,1,0,0,0,0|3,0,0]=4 832 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [0,1,0,0,0,0|3,0,0]=4 833 B7R0.3 CNC(=O)CCOC MCULE-1263122933 [0,1,0,0,0,0|1,1,0]=3 834 B7R0.3 CNC(C)CCSC MCULE-2095620023 [0,1,0,0,0,0|2,0,1]=4 835 B7R0.3 CNCC/C(=N/O)/N MCULE-5663392892 [0,1,0,0,0,0|2,0,0]=3 836 B7R0.3 CNCC/C(=N/O)/N MCULE-9276854772 [0,1,0,0,0,0|2,0,0]=3 837 B7R0.3 CNCCC(=O)NC MCULE-1793457920 [0,1,0,0,0,0|2,0,0]=3 838 B7R0.3 CNCCC(=O)NC MCULE-7089073664 [0,1,0,0,0,0|2,0,0]=3 839 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [0,1,0,0,0,0|1,0,0]=2 840 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [0,1,0,0,0,0|1,0,0]=2 841 B7R0.3 CNOCC(=O)OC MCULE-1491246414 [0,1,0,0,0,0|2,0,0]=3 842 B7R0.3 CNOCC(=O)OC MCULE-2119135006 [0,1,0,0,0,0|2,0,0]=3 843 B7R0.3 CO/C=C/C(=O)OC MCULE-8858181328 [0,1,0,0,0,0|0,1,2]=4 844 B7R0.3 COC(=N)CCCCl MCULE-3704020642 [0,1,0,0,0,0|3,0,0]=4 845 B7R0.3 COC(=N)CCCCl MCULE-6282500757 [0,1,0,0,0,0|3,0,0]=4 846 B7R0.3 COC(=O)CCC#N MCULE-3476013569 [0,1,0,0,0,0|2,0,0]=3 847 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [0,1,0,0,0,0|2,0,0]=3 848 B7R0.3 COC(=O)CCCBr MCULE-3856139347 [0,1,0,0,0,0|2,0,0]=3 849 B7R0.3 COC(=O)CCCCl MCULE-9725150748 [0,1,0,0,0,0|2,0,0]=3 850 B7R0.3 COC(=O)CCCI MCULE-6607823615 [0,1,0,0,0,0|2,0,0]=3 851 B7R0.3 COC(=O)CCCN MCULE-2399653885 [0,1,0,0,0,0|2,0,0]=3 852 B7R0.3 COC(=O)CCCN MCULE-7745643244 [0,1,0,0,0,0|2,0,0]=3 853 B7R0.3 COC(=O)CCCO MCULE-6149839873 [0,1,0,0,0,0|2,0,0]=3 854 B7R0.3 COC(=O)CCCS MCULE-6897052882 [0,1,0,0,0,0|2,0,0]=3 855 B7R0.3 COC(=O)CCSC MCULE-8525618169 [0,1,0,0,0,0|0,0,0]=1 856 B7R0.3 COC(=O)CN=C=O MCULE-4495056254 [0,1,0,0,0,0|3,0,0]=4 857 B7R0.3 COC(=O)CN=C=S MCULE-6944178765 [0,1,0,0,0,0|3,0,0]=4 858 B7R0.3 COC(=O)CN=N#N MCULE-8257278223 [0,1,0,0,0,0|3,0,0]=4 859 B7R0.3 COC(=O)CNC=O MCULE-1485317532 [0,1,0,0,0,0|3,0,0]=4 860 B7R0.3 COC(=O)NCCN MCULE-4816806580 [0,1,0,0,0,0|3,0,0]=4 861 B7R0.3 COC(=O)NCCN MCULE-9765640123 [0,1,0,0,0,0|3,0,0]=4 862 B7R0.3 COC(=O)NCCO MCULE-7141835204 [0,1,0,0,0,0|3,0,0]=4 863 B7R0.3 COC=CC(=O)OC MCULE-3167643214 [0,1,0,0,0,0|0,1,2]=4 864 B7R0.3 COCC/C(=N\O)/N MCULE-3175892655 [0,1,0,0,0,0|1,1,0]=3 865 B7R0.3 COCC/C(=N\O)/N MCULE-8002911611 [0,1,0,0,0,0|1,1,0]=3 866 B7R0.3 COCCC(=O)CCl MCULE-2918704994 [0,1,0,0,0,0|1,1,0]=3 867 B7R0.3 COCCC(=O)NN MCULE-6895114863 [0,1,0,0,0,0|1,1,0]=3 868 B7R0.3 COCCC(=O)OC MCULE-5918489580 [0,1,0,0,0,0|0,1,0]=2 869 B7R0.3 COCCC(N)CO MCULE-9758817920 [0,1,0,0,0,0|1,1,1]=4 870 B7R0.3 CSCCC(N)CO MCULE-1688371230 [0,1,0,0,0,0|1,0,1]=3 871 B7R0.3 CSCCC(O)C#N MCULE-3484786988 [0,1,0,0,0,0|1,0,1]=3 872 B7R0.3 CSCCC(O)CN MCULE-3835830442 [0,1,0,0,0,0|1,0,1]=3 873 B7R0.3 CSCC[C@@H](N)CO MCULE-2764794918 [0,1,0,0,0,0|1,0,1]=3 874 B7R0.3 CSCC[C@@H](N)CO MCULE-7120101109 [0,1,0,0,0,0|1,0,1]=3 875 B7R0.3 CSCC[C@H](N)CN MCULE-6460179286 [0,1,0,0,0,0|2,0,1]=4 876 B7R0.3 CSCC[C@H](N)CO MCULE-6014525130 [0,1,0,0,0,0|1,0,1]=3 877 B7R0.3 CSCC[C@H](N)CO MCULE-9216326176 [0,1,0,0,0,0|1,0,1]=3 878 B7R0.3 N=C(CCCBr)NO MCULE-4204101118 [0,1,0,0,0,0|3,0,0]=4 879 B7R0.3 NNC(=O)CCCCl MCULE-9370062145 [0,1,0,0,0,0|3,0,0]=4 880 B7R0.3 NNC(=O)CCCO MCULE-4131007358 [0,1,0,0,0,0|3,0,0]=4 881 B7R0.3 O=C(CCl)CCCCl MCULE-2362491395 [0,1,0,0,0,0|3,0,0]=4 882 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [0,1,0,0,0,0|3,0,0]=4 883 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [0,1,0,0,0,0|2,0,1]=4 884 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [0,1,0,0,0,0|2,0,1]=4 885 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [0,1,0,0,0,0|2,0,1]=4 886 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [0,1,0,0,0,0|1,0,1]=3 887 B7R0.4 C#CCCNC(=O)C MCULE-2003551338 [0,1,0,0,0,0|2,0,1]=4 888 B7R0.4 C#CCCNC(=O)N MCULE-3889590992 [0,1,0,0,0,0|2,0,1]=4 889 B7R0.4 C#CCCOC(=O)Cl MCULE-5894719916 [0,1,0,0,0,0|2,0,1]=4 890 B7R0.4 C#CCCOC(=O)N MCULE-4721276092 [0,1,0,0,0,0|2,0,1]=4 891 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [0,1,0,0,0,0|1,0,1]=3 892 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [0,1,0,0,0,0|1,0,1]=3 893 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [0,1,0,0,0,0|1,0,1]=3 894 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [0,1,0,0,0,0|1,0,1]=3 895 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [0,1,0,0,0,0|1,0,1]=3 896 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [0,1,0,0,0,0|1,0,1]=3 897 B7R0.4 C/C=C/C=C/C(=O)O MCULE-5933850278 [0,1,0,0,0,0|1,0,2]=4 898 B7R0.4 C/C=C/C=C\C(=O)O MCULE-3744855708 [0,1,0,0,0,0|1,0,2]=4 899 B7R0.4 C/C=C/COC(=O)C MCULE-4948306153 [0,1,0,0,0,0|2,0,1]=4 900 B7R0.4 C=C(Br)CCCCC MCULE-3049831354 [0,1,0,0,0,0|3,0,0]=4 901 B7R0.4 C=C(C)CCC=CC MCULE-7970794651 [0,1,0,0,0,0|3,0,0]=4 902 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [0,1,0,0,0,0|3,0,0]=4 903 B7R0.4 C=C(Cl)CCCCC MCULE-5074452982 [0,1,0,0,0,0|3,0,0]=4 904 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [0,1,0,0,0,0|1,0,1]=3 905 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [0,1,0,0,0,0|2,0,1]=4 906 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [0,1,0,0,0,0|1,0,1]=3 907 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [0,1,0,0,0,0|2,0,1]=4 908 B7R0.4 C=CCCOC(=O)Cl MCULE-1917342500 [0,1,0,0,0,0|2,0,1]=4 909 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [0,1,0,0,0,0|1,0,1]=3 910 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [0,1,0,0,0,0|1,0,1]=3 911 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [0,1,0,0,0,0|1,0,1]=3 912 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [0,1,0,0,0,0|1,0,1]=3 913 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [0,1,0,0,0,0|1,0,0]=2 914 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [0,1,0,0,0,0|2,0,1]=4 915 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [0,1,0,0,0,0|2,0,0]=3 916 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [0,1,0,0,0,0|2,0,0]=3 917 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [0,1,0,0,0,0|2,0,0]=3 918 B7R0.4 CC(=O)CCN=N#N MCULE-3526103207 [0,1,0,0,0,0|3,0,0]=4 919 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [0,1,0,0,0,0|3,0,0]=4 920 B7R0.4 CC(=O)NCCC#N MCULE-1781318297 [0,1,0,0,0,0|3,0,0]=4 921 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [0,1,0,0,0,0|3,0,0]=4 922 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [0,1,0,0,0,0|3,0,0]=4 923 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [0,1,0,0,0,0|3,0,0]=4 924 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [0,1,0,0,0,0|3,0,0]=4 925 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [0,1,0,0,0,0|3,0,0]=4 926 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [0,1,0,0,0,0|3,0,0]=4 927 B7R0.4 CC(=O)NCCON MCULE-3703048482 [0,1,0,0,0,0|2,1,0]=4 928 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [0,1,0,0,0,0|3,0,0]=4 929 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [0,1,0,0,0,0|3,0,0]=4 930 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [0,1,0,0,0,0|3,0,0]=4 931 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [0,1,0,0,0,0|3,0,0]=4 932 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [0,1,0,0,0,0|3,0,0]=4 933 B7R0.4 CC(=O)SCCC#N MCULE-4159295037 [0,1,0,0,0,0|3,0,0]=4 934 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [0,1,0,0,0,0|3,0,0]=4 935 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [0,1,0,0,0,0|3,0,0]=4 936 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [0,1,0,0,0,0|3,0,0]=4 937 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [0,1,0,0,0,0|3,0,0]=4 938 B7R0.4 CC(O)CCCCO MCULE-3790969400 [0,1,0,0,0,0|2,0,1]=4 939 B7R0.4 CC=CC=CC(=O)O MCULE-9397415946 [0,1,0,0,0,0|1,0,2]=4 940 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [0,1,0,0,0,0|1,0,0]=2 941 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [0,1,0,0,0,0|2,0,1]=4 942 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [0,1,0,0,0,0|1,0,1]=3 943 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [0,1,0,0,0,0|1,0,1]=3 944 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [0,1,0,0,0,0|2,0,1]=4 945 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [0,1,0,0,0,0|2,0,1]=4 946 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [0,1,0,0,0,0|1,0,1]=3 947 B7R0.4 CCCCCB(O)O MCULE-3441747739 [0,1,0,0,0,0|2,0,1]=4 948 B7R0.4 CCCCCC(=N)N MCULE-4874167268 [0,1,0,0,0,0|3,0,0]=4 949 B7R0.4 CCCCCC(=N)N MCULE-6942690708 [0,1,0,0,0,0|3,0,0]=4 950 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [0,1,0,0,0,0|2,0,0]=3 951 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [0,1,0,0,0,0|2,0,0]=3 952 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [0,1,0,0,0,0|2,0,0]=3 953 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [0,1,0,0,0,0|1,0,0]=2 954 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [0,1,0,0,0,0|1,0,1]=3 955 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [0,1,0,0,0,0|1,0,1]=3 956 B7R0.4 CCCCCC(=S)N MCULE-7633089850 [0,1,0,0,0,0|2,1,0]=4 957 B7R0.4 CCCCCC(C)O MCULE-2463855771 [0,1,0,0,0,0|2,0,1]=4 958 B7R0.4 CCCCCN(=O)=O MCULE-6853489453 [0,1,0,0,0,0|2,0,1]=4 959 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [0,1,0,0,0,0|2,0,1]=4 960 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [0,1,0,0,0,0|2,0,1]=4 961 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [0,1,0,0,0,0|2,0,1]=4 962 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [0,1,0,0,0,0|2,0,1]=4 963 B7R0.4 CCCCNC(=N)N MCULE-4548909930 [0,1,0,0,0,0|3,0,0]=4 964 B7R0.4 CCCCNC(=N)N MCULE-4773969181 [0,1,0,0,0,0|3,0,0]=4 965 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [0,1,0,0,0,0|2,0,0]=3 966 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [0,1,0,0,0,0|2,0,0]=3 967 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [0,1,0,0,0,0|2,0,0]=3 968 B7R0.4 CCCCNC(=S)N MCULE-7448930772 [0,1,0,0,0,0|2,1,0]=4 969 B7R0.4 CCCCNN(=O)=O MCULE-2055512271 [0,1,0,0,0,0|2,0,1]=4 970 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [0,1,0,0,0,0|2,0,0]=3 971 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [0,1,0,0,0,0|2,0,0]=3 972 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [0,1,0,0,0,0|2,0,0]=3 973 B7R0.4 CCCCOC(=S)[S-] MCULE-2197583773 [0,1,0,0,0,0|1,2,0]=4 974 B7R0.4 CCCCOC(=S)[S-] MCULE-3219674247 [0,1,0,0,0,0|1,2,0]=4 975 B7R0.4 CCCCON(=O)=O MCULE-9175662186 [0,1,0,0,0,0|2,0,1]=4 976 B7R0.4 CCCCSC(=N)N MCULE-1202813594 [0,1,0,0,0,0|3,0,0]=4 977 B7R0.4 CCCCSC(=N)N MCULE-6798856505 [0,1,0,0,0,0|3,0,0]=4 978 B7R0.4 CCCCSC(=N)N MCULE-8701506154 [0,1,0,0,0,0|3,0,0]=4 979 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [0,1,0,0,0,0|2,0,0]=3 980 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [0,1,0,0,0,0|2,0,0]=3 981 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [0,1,0,0,0,0|2,0,0]=3 982 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [0,1,0,0,0,0|2,0,0]=3 983 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [0,1,0,0,0,0|1,0,0]=2 984 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [0,1,0,0,0,0|1,0,0]=2 985 B7R0.4 CCCNCC(C)O MCULE-8110237473 [0,1,0,0,0,0|2,0,1]=4 986 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [0,1,0,0,0,0|1,0,0]=2 987 B7R0.4 CCCOCC(=S)N MCULE-4681127635 [0,1,0,0,0,0|2,1,0]=4 988 B7R0.4 CCCOCC(C)O MCULE-9214840563 [0,1,0,0,0,0|2,0,1]=4 989 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [0,1,0,0,0,0|2,0,0]=3 990 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [0,1,0,0,0,0|1,0,0]=2 991 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [0,1,0,0,0,0|2,0,0]=3 992 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [0,1,0,0,0,0|2,0,0]=3 993 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [0,1,0,0,0,0|1,0,0]=2 994 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [0,1,0,0,0,0|1,0,0]=2 995 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [0,1,0,0,0,0|0,1,2]=4 996 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [0,1,0,0,0,0|0,1,2]=4 997 B7R0.4 CCOCCC(=N)N MCULE-4926091113 [0,1,0,0,0,0|2,1,0]=4 998 B7R0.4 CCOCCC(=N)N MCULE-8590303415 [0,1,0,0,0,0|2,1,0]=4 999 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [0,1,0,0,0,0|1,1,0]=3 1000 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [0,1,0,0,0,0|1,1,0]=3 1001 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [0,1,0,0,0,0|0,1,0]=2 1002 B7R0.4 CCOCNC(=O)N MCULE-7680870721 [0,1,0,0,0,0|2,1,0]=4 1003 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [0,1,0,0,0,0|0,0,0]=1 1004 B7R0.4 CCSCCC(C)N MCULE-6854502332 [0,1,0,0,0,0|2,0,1]=4 1005 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [0,1,0,0,0,0|2,0,0]=3 1006 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [0,1,0,0,0,0|2,0,0]=3 1007 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [0,1,0,0,0,0|1,0,0]=2 1008 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [0,1,0,0,0,0|1,0,0]=2 1009 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [0,1,0,0,0,0|2,0,0]=3 1010 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [0,1,0,0,0,0|2,0,0]=3 1011 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [0,1,0,0,0,0|2,0,0]=3 1012 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [0,1,0,0,0,0|2,0,0]=3 1013 B7R0.4 CNCCSC(=N)N MCULE-4335831899 [0,1,0,0,0,0|3,0,0]=4 1014 B7R0.4 CNCCSC(=N)N MCULE-5500737932 [0,1,0,0,0,0|3,0,0]=4 1015 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [0,1,0,0,0,0|0,1,1]=3 1016 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [0,1,0,0,0,0|0,1,1]=3 1017 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [0,1,0,0,0,0|0,1,1]=3 1018 B7R0.4 COCCCC(=O)C MCULE-3606369396 [0,1,0,0,0,0|1,1,0]=3 1019 B7R0.4 COCCCC(=O)O MCULE-3165881573 [0,1,0,0,0,0|0,1,0]=2 1020 B7R0.4 COCCCC(=S)N MCULE-5066867181 [0,1,0,0,0,0|1,2,0]=4 1021 B7R0.4 COCCCC(C)O MCULE-4190294636 [0,1,0,0,0,0|1,1,1]=4 1022 B7R0.4 COCCNC(=N)N MCULE-4122240317 [0,1,0,0,0,0|2,1,0]=4 1023 B7R0.4 COCCNC(=N)N MCULE-5184785677 [0,1,0,0,0,0|2,1,0]=4 1024 B7R0.4 COCCNC(=N)N MCULE-5799549903 [0,1,0,0,0,0|2,1,0]=4 1025 B7R0.4 COCCNC(=O)C MCULE-2794263612 [0,1,0,0,0,0|1,1,0]=3 1026 B7R0.4 COCCNC(=O)N MCULE-1380726553 [0,1,0,0,0,0|1,1,0]=3 1027 B7R0.4 COCCNC(=S)N MCULE-1285240117 [0,1,0,0,0,0|1,2,0]=4 1028 B7R0.4 COCCOC(=O)C MCULE-3221264060 [0,1,0,0,0,0|1,1,0]=3 1029 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [0,1,0,0,0,0|1,1,0]=3 1030 B7R0.4 COCCOC(=O)N MCULE-3401505850 [0,1,0,0,0,0|1,1,0]=3 1031 B7R0.4 COCCSC(=N)N MCULE-2093405339 [0,1,0,0,0,0|2,1,0]=4 1032 B7R0.4 COCCSC(=N)N MCULE-7836023475 [0,1,0,0,0,0|2,1,0]=4 1033 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [0,1,0,0,0,0|0,0,1]=2 1034 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [0,1,0,0,0,0|0,0,0]=1 1035 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [0,1,0,0,0,0|1,0,0]=2 1036 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [0,1,0,0,0,0|1,0,0]=2 1037 B7R0.4 CSCCNC(=S)N MCULE-1778031613 [0,1,0,0,0,0|1,1,0]=3 1038 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [0,1,0,0,0,0|1,0,0]=2 1039 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [0,1,0,0,0,0|0,0,0]=1 1040 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [0,1,0,0,0,0|1,0,1]=3 1041 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [0,1,0,0,0,0|2,0,0]=3 1042 B7R0.4 N#CCSCC(=O)[O-] MCULE-2024793830 [0,1,0,0,0,0|2,0,1]=4 1043 B7R0.4 N#N=NCCC(=O)Cl MCULE-3373595758 [0,1,0,0,0,0|3,0,0]=4 1044 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [0,1,0,0,0,0|2,0,0]=3 1045 B7R0.4 N=C(N)CCCCCl MCULE-4352194585 [0,1,0,0,0,0|3,0,0]=4 1046 B7R0.4 N=C(N)CCCCCl MCULE-5262170460 [0,1,0,0,0,0|3,0,0]=4 1047 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [0,1,0,0,0,0|2,0,0]=3 1048 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [0,1,0,0,0,0|2,0,0]=3 1049 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [0,1,0,0,0,0|2,0,0]=3 1050 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [0,1,0,0,0,0|3,0,0]=4 1051 B7R0.4 NC(=O)COCCO MCULE-3158372920 [0,1,0,0,0,0|3,0,0]=4 1052 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [0,1,0,0,0,0|3,0,0]=4 1053 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [0,1,0,0,0,0|3,0,0]=4 1054 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [0,1,0,0,0,0|2,0,0]=3 1055 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [0,1,0,0,0,0|2,0,0]=3 1056 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [0,1,0,0,0,0|1,0,0]=2 1057 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [0,1,0,0,0,0|1,0,0]=2 1058 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [0,1,0,0,0,0|1,0,0]=2 1059 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [0,1,0,0,0,0|1,0,0]=2 1060 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [0,1,0,0,0,0|3,0,0]=4 1061 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [0,1,0,0,0,0|3,0,0]=4 1062 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [0,1,0,0,0,0|3,0,0]=4 1063 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [0,1,0,0,0,0|2,0,0]=3 1064 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [0,1,0,0,0,0|2,0,0]=3 1065 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [0,1,0,0,0,0|2,0,0]=3 1066 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [0,1,0,0,0,0|2,0,0]=3 1067 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [0,1,0,0,0,0|2,0,0]=3 1068 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [0,1,0,0,0,0|2,0,0]=3 1069 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [0,1,0,0,0,0|1,1,0]=3 1070 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [0,1,0,0,0,0|1,1,0]=3 1071 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [0,1,0,0,0,0|2,0,0]=3 1072 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [0,1,0,0,0,0|2,0,0]=3 1073 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [0,1,0,0,0,0|2,0,0]=3 1074 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [0,1,0,0,0,0|3,0,0]=4 1075 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [0,1,0,0,0,0|3,0,0]=4 1076 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [0,1,0,0,0,0|3,0,0]=4 1077 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [0,1,0,0,0,0|1,0,2]=4 1078 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [0,1,0,0,0,0|1,0,1]=3 1079 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [0,1,0,0,0,0|1,0,0]=2 1080 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [0,1,0,0,0,0|1,0,0]=2 1081 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [0,1,0,0,0,0|1,0,0]=2 1082 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [0,1,0,0,0,0|1,0,0]=2 1083 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [0,1,0,0,0,0|2,0,0]=3 1084 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [0,1,0,0,0,0|2,0,0]=3 1085 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [0,1,0,0,0,0|2,0,0]=3 1086 B7R0.4 O=C(O)COCCF MCULE-9820799514 [0,1,0,0,0,0|2,0,0]=3 1087 B7R0.4 O=C(O)COCCO MCULE-8297137880 [0,1,0,0,0,0|2,0,0]=3 1088 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [0,1,0,0,0,0|2,0,0]=3 1089 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [0,1,0,0,0,0|2,0,0]=3 1090 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [0,1,0,0,0,0|1,0,1]=3 1091 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [0,1,0,0,0,0|2,0,1]=4 1092 B7R0.4 O=C=NCCC(=O)Cl MCULE-4830401558 [0,1,0,0,0,0|2,0,1]=4 1093 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [0,1,0,0,0,0|1,0,1]=3 1094 B7R0.4 O=N(=O)CCCCBr MCULE-8310183286 [0,1,0,0,0,0|2,0,1]=4 1095 B7R0.4 O=N(=O)CCCCCl MCULE-9069384470 [0,1,0,0,0,0|2,0,1]=4 1096 B7R0.4 O=N(=O)CCCCO MCULE-4639070341 [0,1,0,0,0,0|2,0,1]=4 1097 B7R0.4 OB(O)CCCCBr MCULE-3231135677 [0,1,0,0,0,0|2,0,1]=4 1098 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [0,1,0,0,0,0|1,0,1]=3 1099 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [0,1,0,0,0,0|1,0,1]=3 1100 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [0,1,0,0,0,0|1,0,1]=3 1101 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [0,1,0,0,0,0|1,0,1]=3 1102 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [0,1,0,0,0,0|1,0,1]=3 1103 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [0,1,0,0,0,0|1,0,1]=3 1104 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [0,1,0,0,0,0|1,0,1]=3 1105 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [0,1,0,0,0,0|1,0,1]=3 1106 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [0,1,0,0,0,0|1,0,1]=3 1107 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [0,1,0,0,0,0|1,0,1]=3 1108 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [0,1,0,0,0,0|1,0,1]=3 1109 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [0,1,0,0,0,0|1,0,1]=3 1110 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [0,1,0,0,0,0|1,0,1]=3 1111 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [0,1,0,0,0,0|1,0,1]=3 1112 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [0,1,0,0,0,0|1,0,1]=3 1113 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,1,0,0,0,0|1,0,1]=3 1114 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,1,0,0,0,0|2,0,1]=4 1115 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [0,1,0,0,0,0|0,1,1]=3 1116 B7R0.5 C=C=CC(C)C(=O)O MCULE-3438905862 [0,1,0,0,0,0|1,0,2]=4 1117 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [0,1,0,0,0,0|2,0,1]=4 1118 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,1,0,0,0,0|1,0,1]=3 1119 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,1,0,0,0,0|1,0,1]=3 1120 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,1,0,0,0,0|1,0,1]=3 1121 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,1,0,0,0,0|1,0,1]=3 1122 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,1,0,0,0,0|1,0,1]=3 1123 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,1,0,0,0,0|1,0,1]=3 1124 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,1,0,0,0,0|1,0,1]=3 1125 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,1,0,0,0,0|1,0,1]=3 1126 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,1,0,0,0,0|1,0,1]=3 1127 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,1,0,0,0,0|1,0,1]=3 1128 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,1,0,0,0,0|1,0,1]=3 1129 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,1,0,0,0,0|1,0,1]=3 1130 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,1,0,0,0,0|1,0,1]=3 1131 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,1,0,0,0,0|1,0,1]=3 1132 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,1,0,0,0,0|1,0,1]=3 1133 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,1,0,0,0,0|1,0,1]=3 1134 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [0,1,0,0,0,0|3,0,0]=4 1135 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [0,1,0,0,0,0|3,0,0]=4 1136 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [0,1,0,0,0,0|3,0,0]=4 1137 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [0,1,0,0,0,0|3,0,0]=4 1138 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [0,1,0,0,0,0|3,0,0]=4 1139 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [0,1,0,0,0,0|3,0,0]=4 1140 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,1,0,0,0,0|2,0,0]=3 1141 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,1,0,0,0,0|2,0,0]=3 1142 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [0,1,0,0,0,0|3,0,0]=4 1143 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,1,0,0,0,0|2,0,0]=3 1144 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [0,1,0,0,0,0|2,0,1]=4 1145 B7R0.5 CC(N=N#N)C(=O)O MCULE-1449528032 [0,1,0,0,0,0|3,0,0]=4 1146 B7R0.5 CC(N=N#N)C(=O)O MCULE-6367123914 [0,1,0,0,0,0|3,0,0]=4 1147 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [0,1,0,0,0,0|3,0,0]=4 1148 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [0,1,0,0,0,0|1,0,2]=4 1149 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [0,1,0,0,0,0|1,0,1]=3 1150 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,1,0,0,0,0|1,0,1]=3 1151 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [0,1,0,0,0,0|1,0,2]=4 1152 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [0,1,0,0,0,0|1,0,2]=4 1153 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [0,1,0,0,0,0|2,0,1]=4 1154 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [0,1,0,0,0,0|2,0,1]=4 1155 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,1,0,0,0,0|1,0,1]=3 1156 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [0,1,0,0,0,0|2,0,0]=3 1157 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [0,1,0,0,0,0|1,0,0]=2 1158 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [0,1,0,0,0,0|2,0,0]=3 1159 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [0,1,0,0,0,0|2,0,0]=3 1160 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [0,1,0,0,0,0|2,0,0]=3 1161 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [0,1,0,0,0,0|1,0,0]=2 1162 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [0,1,0,0,0,0|2,0,1]=4 1163 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [0,1,0,0,0,0|1,0,0]=2 1164 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [0,1,0,0,0,0|1,0,0]=2 1165 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [0,1,0,0,0,0|2,0,0]=3 1166 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [0,1,0,0,0,0|2,0,0]=3 1167 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,1,0,0,0,0|1,0,0]=2 1168 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,1,0,0,0,0|1,0,0]=2 1169 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,1,0,0,0,0|1,0,0]=2 1170 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [0,1,0,0,0,0|2,0,0]=3 1171 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,1,0,0,0,0|1,0,0]=2 1172 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,1,0,0,0,0|1,0,0]=2 1173 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [0,1,0,0,0,0|3,0,0]=4 1174 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,1,0,0,0,0|1,0,0]=2 1175 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,1,0,0,0,0|1,0,0]=2 1176 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,1,0,0,0,0|1,0,0]=2 1177 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [0,1,0,0,0,0|1,0,0]=2 1178 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [0,1,0,0,0,0|2,0,0]=3 1179 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [0,1,0,0,0,0|2,0,0]=3 1180 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [0,1,0,0,0,0|2,0,0]=3 1181 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [0,1,0,0,0,0|2,0,0]=3 1182 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,1,0,0,0,0|1,0,0]=2 1183 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,1,0,0,0,0|1,0,0]=2 1184 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,1,0,0,0,0|1,0,0]=2 1185 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,1,0,0,0,0|1,0,0]=2 1186 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,1,0,0,0,0|1,0,0]=2 1187 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [0,1,0,0,0,0|2,0,1]=4 1188 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [0,1,0,0,0,0|3,0,0]=4 1189 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [0,1,0,0,0,0|3,0,0]=4 1190 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [0,1,0,0,0,0|2,0,0]=3 1191 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [0,1,0,0,0,0|2,0,0]=3 1192 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [0,1,0,0,0,0|2,0,0]=3 1193 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,1,0,0,0,0|2,0,1]=4 1194 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,1,0,0,0,0|2,0,0]=3 1195 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [0,1,0,0,0,0|2,0,0]=3 1196 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [0,1,0,0,0,0|1,0,0]=2 1197 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [0,1,0,0,0,0|1,0,0]=2 1198 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [0,1,0,0,0,0|1,0,0]=2 1199 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [0,1,0,0,0,0|1,0,0]=2 1200 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [0,1,0,0,0,0|1,0,0]=2 1201 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [0,1,0,0,0,0|1,0,0]=2 1202 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [0,1,0,0,0,0|1,0,0]=2 1203 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [0,1,0,0,0,0|1,0,0]=2 1204 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,1,0,0,0,0|0,1,0]=2 1205 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [0,1,0,0,0,0|1,1,0]=3 1206 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,1,0,0,0,0|0,1,0]=2 1207 B7R0.5 COCC(C)C(=S)N MCULE-6392999047 [0,1,0,0,0,0|1,2,0]=4 1208 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,1,0,0,0,0|0,1,0]=2 1209 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [0,1,0,0,0,0|1,1,0]=3 1210 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [0,1,0,0,0,0|1,1,0]=3 1211 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,1,0,0,0,0|0,1,0]=2 1212 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,1,0,0,0,0|0,1,0]=2 1213 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,1,0,0,0,0|0,1,0]=2 1214 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,1,0,0,0,0|0,1,0]=2 1215 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,1,0,0,0,0|0,1,0]=2 1216 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,1,0,0,0,0|0,1,0]=2 1217 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,1,0,0,0,0|0,1,0]=2 1218 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,1,0,0,0,0|0,1,0]=2 1219 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,1,0,0,0,0|0,1,0]=2 1220 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,1,0,0,0,0|0,1,0]=2 1221 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,1,0,0,0,0|0,1,0]=2 1222 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,1,0,0,0,0|0,1,0]=2 1223 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,1,0,0,0,0|0,1,0]=2 1224 B7R0.5 CON=C(C)C(=O)O MCULE-8599774085 [0,1,0,0,0,0|1,1,1]=4 1225 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [0,1,0,0,0,0|0,0,0]=1 1226 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,1,0,0,0,0|0,0,0]=1 1227 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,1,0,0,0,0|0,0,0]=1 1228 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,1,0,0,0,0|0,0,0]=1 1229 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [0,1,0,0,0,0|2,0,0]=3 1230 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-2214426945 [0,1,0,0,0,0|3,0,0]=4 1231 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-6124505236 [0,1,0,0,0,0|3,0,0]=4 1232 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-3591368470 [0,1,0,0,0,0|3,0,0]=4 1233 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-5109353470 [0,1,0,0,0,0|3,0,0]=4 1234 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-6277841083 [0,1,0,0,0,0|3,0,0]=4 1235 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-7843278634 [0,1,0,0,0,0|3,0,0]=4 1236 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [0,1,0,0,0,0|3,0,0]=4 1237 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [0,1,0,0,0,0|3,0,0]=4 1238 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [0,1,0,0,0,0|0,1,0]=2 1239 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [0,1,0,0,0,0|0,1,0]=2 1240 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [0,1,0,0,0,0|0,1,0]=2 1241 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [0,1,0,0,0,0|0,1,0]=2 1242 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [0,1,0,0,0,0|0,1,0]=2 1243 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [0,1,0,0,0,0|0,1,0]=2 1244 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [0,1,0,0,0,0|2,0,0]=3 1245 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [0,1,0,0,0,0|2,0,0]=3 1246 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [0,1,0,0,0,0|2,0,0]=3 1247 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [0,1,0,0,0,0|3,0,0]=4 1248 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,1,0,0,0,0|2,0,0]=3 1249 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,1,0,0,0,0|2,0,0]=3 1250 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,1,0,0,0,0|2,0,0]=3 1251 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,1,0,0,0,0|2,0,0]=3 1252 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,1,0,0,0,0|2,0,0]=3 1253 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,1,0,0,0,0|2,0,0]=3 1254 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,1,0,0,0,0|2,0,0]=3 1255 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,1,0,0,0,0|2,0,0]=3 1256 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,1,0,0,0,0|2,0,0]=3 1257 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,1,0,0,0,0|2,0,0]=3 1258 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,1,0,0,0,0|2,0,0]=3 1259 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,1,0,0,0,0|2,0,0]=3 1260 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,1,0,0,0,0|2,0,0]=3 1261 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,1,0,0,0,0|2,0,0]=3 1262 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,1,0,0,0,0|2,0,0]=3 1263 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,1,0,0,0,0|2,0,0]=3 1264 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,1,0,0,0,0|2,0,0]=3 1265 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,1,0,0,0,0|2,0,0]=3 1266 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,1,0,0,0,0|2,0,0]=3 1267 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,1,0,0,0,0|2,0,0]=3 1268 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,1,0,0,0,0|2,0,0]=3 1269 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,1,0,0,0,0|2,0,0]=3 1270 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,1,0,0,0,0|2,0,0]=3 1271 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,1,0,0,0,0|2,0,0]=3 1272 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,1,0,0,0,0|2,0,0]=3 1273 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,1,0,0,0,0|2,0,0]=3 1274 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,1,0,0,0,0|2,0,0]=3 1275 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,1,0,0,0,0|2,0,0]=3 1276 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,1,0,0,0,0|2,0,0]=3 1277 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,1,0,0,0,0|2,0,0]=3 1278 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,1,0,0,0,0|2,0,0]=3 1279 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,1,0,0,0,0|2,0,0]=3 1280 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,1,0,0,0,0|2,0,0]=3 1281 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,1,0,0,0,0|2,0,0]=3 1282 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,1,0,0,0,0|2,0,0]=3 1283 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,1,0,0,0,0|2,0,0]=3 1284 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,1,0,0,0,0|1,1,0]=3 1285 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,1,0,0,0,0|2,0,0]=3 1286 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,1,0,0,0,0|2,0,0]=3 1287 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,1,0,0,0,0|2,0,0]=3 1288 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,1,0,0,0,0|2,0,0]=3 1289 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,1,0,0,0,0|2,0,0]=3 1290 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,1,0,0,0,0|2,0,0]=3 1291 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,1,0,0,0,0|2,0,0]=3 1292 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,1,0,0,0,0|2,0,0]=3 1293 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [0,1,0,0,0,0|1,0,0]=2 1294 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,1,0,0,0,0|2,0,0]=3 1295 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,1,0,0,0,0|2,0,0]=3 1296 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,1,0,0,0,0|2,0,0]=3 1297 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,1,0,0,0,0|2,0,0]=3 1298 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,1,0,0,0,0|2,0,0]=3 1299 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,1,0,0,0,0|2,0,0]=3 1300 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [0,1,0,0,0,0|3,0,0]=4 1301 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [0,1,0,0,0,0|3,0,0]=4 1302 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [0,1,0,0,0,0|3,0,0]=4 1303 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [0,1,0,0,0,0|2,0,0]=3 1304 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,1,0,0,0,0|2,0,0]=3 1305 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [0,1,0,0,0,0|1,0,1]=3 1306 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,1,0,0,0,0|1,0,1]=3 1307 B7R0.6 C=C(C)CCC(=C)C MCULE-6018302318 [0,1,0,0,0,0|3,0,0]=4 1308 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,1,0,0,0,0|2,0,0]=3 1309 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,1,0,0,0,0|2,0,0]=3 1310 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,1,0,0,0,0|1,0,0]=2 1311 B7R0.6 C=C(C)CCC(C)Br MCULE-6437209576 [0,1,0,0,0,0|3,0,0]=4 1312 B7R0.6 C=C(C)CCC(C)C MCULE-2459654294 [0,1,0,0,0,0|3,0,0]=4 1313 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [0,1,0,0,0,0|3,0,0]=4 1314 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [0,1,0,0,0,0|2,0,1]=4 1315 B7R0.6 C=C(C)CCN(=O)=O MCULE-5685156382 [0,1,0,0,0,0|2,0,1]=4 1316 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [0,1,0,0,0,0|3,0,0]=4 1317 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,1,0,0,0,0|2,0,0]=3 1318 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,1,0,0,0,0|1,0,1]=3 1319 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,1,0,0,0,0|1,0,1]=3 1320 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [0,1,0,0,0,0|1,0,2]=4 1321 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,1,0,0,0,0|1,0,2]=4 1322 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,1,0,0,0,0|1,0,2]=4 1323 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,1,0,0,0,0|2,0,0]=3 1324 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,1,0,0,0,0|2,0,0]=3 1325 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,1,0,0,0,0|1,0,0]=2 1326 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,1,0,0,0,0|1,0,1]=3 1327 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [0,1,0,0,0,0|2,0,0]=3 1328 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [0,1,0,0,0,0|3,0,0]=4 1329 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [0,1,0,0,0,0|2,0,1]=4 1330 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [0,1,0,0,0,0|2,0,0]=3 1331 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [0,1,0,0,0,0|2,0,0]=3 1332 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,1,0,0,0,0|3,0,0]=4 1333 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,1,0,0,0,0|3,0,0]=4 1334 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [0,1,0,0,0,0|3,0,0]=4 1335 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [0,1,0,0,0,0|3,0,0]=4 1336 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,1,0,0,0,0|3,0,0]=4 1337 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [0,1,0,0,0,0|3,0,0]=4 1338 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [0,1,0,0,0,0|3,0,0]=4 1339 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,1,0,0,0,0|3,0,0]=4 1340 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,1,0,0,0,0|3,0,0]=4 1341 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,1,0,0,0,0|2,0,0]=3 1342 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,1,0,0,0,0|3,0,0]=4 1343 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,1,0,0,0,0|3,0,0]=4 1344 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,1,0,0,0,0|2,0,0]=3 1345 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [0,1,0,0,0,0|3,0,0]=4 1346 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,1,0,0,0,0|3,0,0]=4 1347 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,1,0,0,0,0|2,0,0]=3 1348 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,1,0,0,0,0|2,0,0]=3 1349 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [0,1,0,0,0,0|1,0,2]=4 1350 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [0,1,0,0,0,0|1,0,2]=4 1351 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [0,1,0,0,0,0|1,0,2]=4 1352 B7R0.6 CC(C)CCB(O)O MCULE-7387060292 [0,1,0,0,0,0|2,0,1]=4 1353 B7R0.6 CC(C)CCC(=N)N MCULE-1131862481 [0,1,0,0,0,0|3,0,0]=4 1354 B7R0.6 CC(C)CCC(=N)N MCULE-3040841257 [0,1,0,0,0,0|3,0,0]=4 1355 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [0,1,0,0,0,0|2,0,0]=3 1356 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [0,1,0,0,0,0|2,0,0]=3 1357 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,1,0,0,0,0|1,0,0]=2 1358 B7R0.6 CC(C)CCC(=S)N MCULE-7175463316 [0,1,0,0,0,0|2,1,0]=4 1359 B7R0.6 CC(C)CCC(C)O MCULE-6292509345 [0,1,0,0,0,0|2,0,1]=4 1360 B7R0.6 CC(C)CCN(=O)=O MCULE-1596287630 [0,1,0,0,0,0|2,0,1]=4 1361 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [0,1,0,0,0,0|3,0,0]=4 1362 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [0,1,0,0,0,0|3,0,0]=4 1363 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [0,1,0,0,0,0|3,0,0]=4 1364 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [0,1,0,0,0,0|3,0,0]=4 1365 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [0,1,0,0,0,0|3,0,0]=4 1366 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [0,1,0,0,0,0|3,0,0]=4 1367 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,1,0,0,0,0|2,0,0]=3 1368 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,1,0,0,0,0|2,0,0]=3 1369 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [0,1,0,0,0,0|3,0,0]=4 1370 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,1,0,0,0,0|2,0,0]=3 1371 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,1,0,0,0,0|2,0,0]=3 1372 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [0,1,0,0,0,0|2,0,0]=3 1373 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,1,0,0,0,0|1,0,0]=2 1374 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,1,0,0,0,0|1,0,0]=2 1375 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [0,1,0,0,0,0|3,0,0]=4 1376 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [0,1,0,0,0,0|3,0,0]=4 1377 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,1,0,0,0,0|1,0,0]=2 1378 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,1,0,0,0,0|1,0,1]=3 1379 B7R0.6 CC(O)CCC(C)O MCULE-6170497684 [0,1,0,0,0,0|2,0,1]=4 1380 B7R0.6 CC(O)CCN(C)C MCULE-7246080230 [0,1,0,0,0,0|2,0,1]=4 1381 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,1,0,0,0,0|1,0,0]=2 1382 B7R0.6 CN(C)CCC(=N)N MCULE-3452380324 [0,1,0,0,0,0|3,0,0]=4 1383 B7R0.6 CN(C)CCC(=N)N MCULE-7661734671 [0,1,0,0,0,0|3,0,0]=4 1384 B7R0.6 CN(C)CCC(=N)N MCULE-9745909230 [0,1,0,0,0,0|3,0,0]=4 1385 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,1,0,0,0,0|1,0,0]=2 1386 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,1,0,0,0,0|1,0,0]=2 1387 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,1,0,0,0,0|0,0,1]=2 1388 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,1,0,0,0,0|1,0,0]=2 1389 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,1,0,0,0,0|1,0,0]=2 1390 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,1,0,0,0,0|1,0,0]=2 1391 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,1,0,0,0,0|1,0,0]=2 1392 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-3982464496 [0,1,0,0,0,0|2,0,1]=4 1393 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-6083261012 [0,1,0,0,0,0|2,0,1]=4 1394 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-8142548171 [0,1,0,0,0,0|2,0,1]=4 1395 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,1,0,0,0,0|2,0,0]=3 1396 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,1,0,0,0,0|1,0,0]=2 1397 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,1,0,0,0,0|1,0,0]=2 1398 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-5867971604 [0,1,0,0,0,0|2,0,1]=4 1399 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-7024859164 [0,1,0,0,0,0|2,0,1]=4 1400 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,1,0,0,0,0|0,0,1]=2 1401 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,1,0,0,0,0|0,0,1]=2 1402 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [0,1,0,0,0,0|0,0,2]=3 1403 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,1,0,0,0,0|3,0,0]=4 1404 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,1,0,0,0,0|3,0,0]=4 1405 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,1,0,0,0,0|3,0,0]=4 1406 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,1,0,0,0,0|3,0,0]=4 1407 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,1,0,0,0,0|3,0,0]=4 1408 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,1,0,0,0,0|2,0,0]=3 1409 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,1,0,0,0,0|3,0,0]=4 1410 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,1,0,0,0,0|3,0,0]=4 1411 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,1,0,0,0,0|3,0,0]=4 1412 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,1,0,0,0,0|3,0,0]=4 1413 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,1,0,0,0,0|2,0,0]=3 1414 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,1,0,0,0,0|2,0,0]=3 1415 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,1,0,0,0,0|2,0,0]=3 1416 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,1,0,0,0,0|2,0,0]=3 1417 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,1,0,0,0,0|2,0,0]=3 1418 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,1,0,0,0,0|3,0,0]=4 1419 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,1,0,0,0,0|3,0,0]=4 1420 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,1,0,0,0,0|2,0,0]=3 1421 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,1,0,0,0,0|2,0,1]=4 1422 B7R0.8 CCCCC(C)(C)O MCULE-6518378731 [0,1,0,0,0,0|2,0,1]=4 1423 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [0,1,0,0,0,0|2,0,0]=3 1424 B7R0.8 CCCCS(=O)(=O)Cl MCULE-8979625112 [0,1,0,0,0,0|2,0,1]=4 1425 B7R0.8 CCCCS(=O)(=O)F MCULE-6322697475 [0,1,0,0,0,0|2,0,1]=4 1426 B7R0.8 CCCCS(=O)(=O)N MCULE-2248674497 [0,1,0,0,0,0|2,0,1]=4 1427 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [0,1,0,0,0,0|2,0,0]=3 1428 B7R0.8 CCCCS(=O)(=O)[O-] MCULE-9859570424 [0,1,0,0,0,0|2,0,1]=4 1429 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [0,1,0,0,0,0|3,0,0]=4 1430 B7R0.8 CNCCC(C)(C)O MCULE-6866727490 [0,1,0,0,0,0|2,0,1]=4 1431 B7R0.8 CNCCS(=O)(=O)C MCULE-5880210307 [0,1,0,0,0,0|2,0,1]=4 1432 B7R0.8 CNCCS(=O)(=O)C MCULE-6808272578 [0,1,0,0,0,0|2,0,1]=4 1433 B7R0.8 CNCCS(=O)(=O)N MCULE-3229645038 [0,1,0,0,0,0|2,0,1]=4 1434 B7R0.8 CNCCS(=O)(=O)N MCULE-9514415875 [0,1,0,0,0,0|2,0,1]=4 1435 B7R0.8 CNCCS(=O)(=O)O MCULE-4217252594 [0,1,0,0,0,0|2,0,0]=3 1436 B7R0.8 CNCCS(=O)(=O)[O-] MCULE-5274968007 [0,1,0,0,0,0|2,0,1]=4 1437 B7R0.8 COCCS(=O)(=O)Cl MCULE-2673896601 [0,1,0,0,0,0|1,1,1]=4 1438 B7R0.8 COCCS(=O)(=O)F MCULE-2622271041 [0,1,0,0,0,0|1,1,1]=4 1439 B7R0.8 COCCS(=O)(=O)N MCULE-4498428516 [0,1,0,0,0,0|1,1,1]=4 1440 B7R0.8 COCCS(=O)(=O)[O-] MCULE-1587742211 [0,1,0,0,0,0|1,1,1]=4 1441 B7R0.8 COCCS(=O)(=O)[O-] MCULE-3001985511 [0,1,0,0,0,0|1,1,1]=4 1442 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [0,1,0,0,0,0|3,0,0]=4 1443 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [0,1,0,0,0,0|3,0,0]=4 1444 B7R0.8 CSCCC(C)(C)N MCULE-5957026834 [0,1,0,0,0,0|2,0,1]=4 1445 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [0,1,0,0,0,0|3,0,0]=4 1446 B7R0.8 NCCCS(=O)(=O)O MCULE-6933013590 [0,1,0,0,0,0|3,0,0]=4 1447 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [0,1,0,0,0,0|3,0,0]=4 1448 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [0,1,0,0,0,0|3,0,0]=4 1449 B7R0.8 O=S(=O)(O)CCCBr MCULE-8256529568 [0,1,0,0,0,0|3,0,0]=4 1450 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [0,1,0,0,0,0|3,0,0]=4 1451 B7R0.8 O=S(=O)(O)CCCS MCULE-4609690087 [0,1,0,0,0,0|3,0,0]=4 1452 B7R1.2 C1(CCN(C1)C)O MCULE-5142099784 [0,0,0,1,0,0|2,0,1]=4 1453 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,0,0,1,0,0|3,0,0]=4 1454 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,0,0,1,0,0|1,0,1]=3 1455 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,0,0,1,0,0|2,0,0]=3 1456 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,0,0,1,0,0|3,0,0]=4 1457 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,0,0,1,0,0|3,0,0]=4 1458 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,0,0,1,0,0|1,0,1]=3 1459 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,0,0,1,0,0|1,0,1]=3 1460 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [0,0,0,1,0,0|1,1,1]=4 1461 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [0,0,0,1,0,0|3,0,0]=4 1462 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,0,0,1,0,0|3,0,0]=4 1463 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [0,0,0,1,0,0|1,0,2]=4 1464 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,0,0,1,0,0|3,0,0]=4 1465 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [0,0,0,1,0,0|3,0,0]=4 1466 B7R1.2 CC1CCC(=N1)N MCULE-3470792627 [0,0,0,1,0,0|3,0,0]=4 1467 B7R1.2 CC1CCC(=N1)N MCULE-7952001291 [0,0,0,1,0,0|3,0,0]=4 1468 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [0,0,0,1,0,0|2,0,0]=3 1469 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,0,0,1,0,0|2,0,0]=3 1470 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,0,0,1,0,0|2,0,0]=3 1471 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,0,0,1,0,0|1,0,0]=2 1472 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [0,0,0,1,0,0|2,0,1]=4 1473 B7R1.2 CC1CCC(O1)C MCULE-6766843462 [0,0,0,1,0,0|2,0,1]=4 1474 B7R1.2 CC1CN=C(O1)N MCULE-2936787754 [0,0,0,1,0,0|3,0,0]=4 1475 B7R1.2 CC1CN=C(O1)N MCULE-5542499755 [0,0,0,1,0,0|3,0,0]=4 1476 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,0,0,1,0,0|3,0,0]=4 1477 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,0,0,1,0,0|3,0,0]=4 1478 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,0,0,1,0,0|2,0,0]=3 1479 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,0,0,1,0,0|3,0,0]=4 1480 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,0,0,1,0,0|3,0,0]=4 1481 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,0,0,1,0,0|2,0,0]=3 1482 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [0,0,0,1,0,0|3,0,0]=4 1483 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [0,0,0,1,0,0|2,1,0]=4 1484 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [0,0,0,1,0,0|3,0,0]=4 1485 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [0,0,0,1,0,0|2,0,0]=3 1486 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [0,0,0,1,0,0|2,0,0]=3 1487 B7R1.2 CN1CCC(C1)O MCULE-7899934177 [0,0,0,1,0,0|2,0,1]=4 1488 B7R1.2 CN1CC[C@@H](C1)O MCULE-1236945758 [0,0,0,1,0,0|2,0,1]=4 1489 B7R1.2 CN1CC[C@@H](C1)O MCULE-4275527304 [0,0,0,1,0,0|2,0,1]=4 1490 B7R1.2 CN1CC[C@H](C1)O MCULE-6665002754 [0,0,0,1,0,0|2,0,1]=4 1491 B7R1.2 CN1CC[C@H](C1)O MCULE-8080661086 [0,0,0,1,0,0|2,0,1]=4 1492 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,0,0,1,0,0|3,0,0]=4 1493 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,0,0,1,0,0|3,0,0]=4 1494 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,0,0,1,0,0|2,0,0]=3 1495 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,0,0,1,0,0|2,0,0]=3 1496 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,0,0,1,0,0|1,0,0]=2 1497 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,0,0,1,0,0|3,0,0]=4 1498 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,0,0,1,0,0|3,0,0]=4 1499 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,0,0,1,0,0|2,0,0]=3 1500 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,0,0,1,0,0|2,0,0]=3 1501 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,0,0,1,0,0|3,0,0]=4 1502 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,0,0,1,0,0|3,0,0]=4 1503 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,0,0,1,0,0|3,0,0]=4 1504 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,0,0,1,0,0|3,0,0]=4 1505 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,0,0,1,0,0|2,0,0]=3 1506 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,0,0,1,0,0|2,0,0]=3 1507 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,0,0,1,0,0|3,0,0]=4 1508 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,0,0,1,0,0|3,0,0]=4 1509 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,0,0,1,0,0|3,0,0]=4 1510 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,0,0,1,0,0|3,0,0]=4 1511 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [0,0,0,1,0,0|2,0,0]=3 1512 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,0,0,1,0,0|2,0,0]=3 1513 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,0,0,1,0,0|2,0,0]=3 1514 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,0,0,1,0,0|1,0,0]=2 1515 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,0,0,1,0,0|3,0,0]=4 1516 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,0,0,1,0,0|3,0,0]=4 1517 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,0,0,1,0,0|3,0,0]=4 1518 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,0,0,1,0,0|3,0,0]=4 1519 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,0,0,1,0,0|3,0,0]=4 1520 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,0,0,1,0,0|2,0,0]=3 1521 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,0,0,1,0,0|2,0,0]=3 1522 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,0,0,1,0,0|3,0,0]=4 1523 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,0,0,1,0,0|3,0,0]=4 1524 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,0,0,1,0,0|3,0,0]=4 1525 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,0,0,1,0,0|3,0,0]=4 1526 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,0,0,1,0,0|3,0,0]=4 1527 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [0,0,0,1,0,0|3,0,0]=4 1528 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [0,0,0,1,0,0|3,0,0]=4 1529 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [0,0,0,1,0,0|3,0,0]=4 1530 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,0,0,1,0,0|3,0,0]=4 1531 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,0,0,1,0,0|3,0,0]=4 1532 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,0,0,1,0,0|3,0,0]=4 1533 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,0,0,1,0,0|2,0,0]=3 1534 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [0,0,0,1,0,0|3,0,0]=4 1535 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [0,0,0,1,0,0|3,0,0]=4 1536 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,0,0,1,0,0|3,0,0]=4 1537 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,0,0,1,0,0|3,0,0]=4 1538 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,0,0,1,0,0|2,0,0]=3 1539 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,0,0,1,0,0|2,0,0]=3 1540 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,0,0,1,0,0|3,0,0]=4 1541 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,0,0,1,0,0|3,0,0]=4 1542 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,0,0,1,0,0|3,0,0]=4 1543 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [0,0,0,1,0,0|2,0,0]=3 1544 B7R1.3 BrC1=CCCCC1 MCULE-6137796305 [0,0,0,1,0,0|3,0,0]=4 1545 B7R1.3 BrC1=CCOCC1 MCULE-7609274912 [0,0,0,1,0,0|2,1,0]=4 1546 B7R1.3 BrC1=CCSCC1 MCULE-6964400494 [0,0,0,1,0,0|2,0,0]=3 1547 B7R1.3 BrC1CCCCO1 MCULE-3659439382 [0,0,0,1,0,0|2,0,1]=4 1548 B7R1.3 BrC1CCSCC1 MCULE-1239956252 [0,0,0,1,0,0|2,0,1]=4 1549 B7R1.3 C=C1CCCCC1 MCULE-9812236661 [0,0,0,1,0,0|3,0,0]=4 1550 B7R1.3 C=C1CCCCN1 MCULE-8375354748 [0,0,0,1,0,0|3,0,0]=4 1551 B7R1.3 C=C1CCNCC1 MCULE-4460895436 [0,0,0,1,0,0|3,0,0]=4 1552 B7R1.3 C=C1CCNCC1 MCULE-6605411269 [0,0,0,1,0,0|3,0,0]=4 1553 B7R1.3 C=C1CCNCC1 MCULE-6729798105 [0,0,0,1,0,0|3,0,0]=4 1554 B7R1.3 C=C1CCOCC1 MCULE-2744722311 [0,0,0,1,0,0|2,1,0]=4 1555 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [0,0,0,1,0,0|3,0,0]=4 1556 B7R1.3 CC1=CCNCC1 MCULE-1503915992 [0,0,0,1,0,0|3,0,0]=4 1557 B7R1.3 CC1=CCNCC1 MCULE-3349815065 [0,0,0,1,0,0|3,0,0]=4 1558 B7R1.3 CC1CCCCO1 MCULE-4439683294 [0,0,0,1,0,0|2,0,1]=4 1559 B7R1.3 CC1CCOCO1 MCULE-5013590651 [0,0,0,1,0,0|1,1,1]=4 1560 B7R1.3 CN1CCCCO1 MCULE-4407617276 [0,0,0,1,0,0|3,0,0]=4 1561 B7R1.3 CN1CCCCO1 MCULE-6297284655 [0,0,0,1,0,0|3,0,0]=4 1562 B7R1.3 CN1CCSCC1 MCULE-9816739759 [0,0,0,1,0,0|3,0,0]=4 1563 B7R1.3 ClC1=CCCCC1 MCULE-6882712527 [0,0,0,1,0,0|3,0,0]=4 1564 B7R1.3 ClC1CCCCO1 MCULE-3251653488 [0,0,0,1,0,0|2,0,1]=4 1565 B7R1.3 FC1=CCNCC1 MCULE-5573410633 [0,0,0,1,0,0|3,0,0]=4 1566 B7R1.3 FC1=CCNCC1 MCULE-9755070929 [0,0,0,1,0,0|3,0,0]=4 1567 B7R1.3 FC1CCCCO1 MCULE-8724227177 [0,0,0,1,0,0|2,0,1]=4 1568 B7R1.3 IC1CCSCC1 MCULE-6684613275 [0,0,0,1,0,0|2,0,1]=4 1569 B7R1.3 N=C1NCCCO1 MCULE-4713912893 [0,0,0,1,0,0|3,0,0]=4 1570 B7R1.3 NC1=NCCCC1 MCULE-1020722938 [0,0,0,1,0,0|3,0,0]=4 1571 B7R1.3 NC1=NCCCC1 MCULE-9735306041 [0,0,0,1,0,0|3,0,0]=4 1572 B7R1.3 NC1=NCCCO1 MCULE-1909217779 [0,0,0,1,0,0|3,0,0]=4 1573 B7R1.3 NC1CCSCC1 MCULE-1077822824 [0,0,0,1,0,0|2,0,1]=4 1574 B7R1.3 NC1CCSCC1 MCULE-7148332202 [0,0,0,1,0,0|2,0,1]=4 1575 B7R1.3 NN1CCSCC1 MCULE-9712464832 [0,0,0,1,0,0|3,0,0]=4 1576 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [0,0,0,1,0,0|2,0,1]=4 1577 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [0,0,0,1,0,0|1,0,2]=4 1578 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [0,0,0,1,0,0|1,1,1]=4 1579 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [0,0,0,1,0,0|2,0,1]=4 1580 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [0,0,0,1,0,0|2,0,0]=3 1581 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [0,0,0,1,0,0|2,0,0]=3 1582 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [0,0,0,1,0,0|1,0,0]=2 1583 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [0,0,0,1,0,0|1,1,0]=3 1584 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [0,0,0,1,0,0|3,0,0]=4 1585 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [0,0,0,1,0,0|3,0,0]=4 1586 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [0,0,0,1,0,0|3,0,0]=4 1587 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [0,0,0,1,0,0|3,0,0]=4 1588 B7R1.3 O=C1CCNCC1 MCULE-7526186270 [0,0,0,1,0,0|2,0,0]=3 1589 B7R1.3 O=C1CCNCC1 MCULE-9761063200 [0,0,0,1,0,0|2,0,0]=3 1590 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [0,0,0,1,0,0|2,0,0]=3 1591 B7R1.3 O=C1CCOCC1 MCULE-6728095514 [0,0,0,1,0,0|1,1,0]=3 1592 B7R1.3 O=C1CCSCC1 MCULE-8638366518 [0,0,0,1,0,0|1,0,0]=2 1593 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [0,0,0,1,0,0|3,0,0]=4 1594 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [0,0,0,1,0,0|2,0,0]=3 1595 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [0,0,0,1,0,0|2,0,0]=3 1596 B7R1.3 O=C1COCCN1 MCULE-8242898041 [0,0,0,1,0,0|3,0,0]=4 1597 B7R1.3 O=C1COCCO1 MCULE-5754504096 [0,0,0,1,0,0|2,0,0]=3 1598 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [0,0,0,1,0,0|3,0,0]=4 1599 B7R1.3 O=C1NCCCN1 MCULE-4876148406 [0,0,0,1,0,0|3,0,0]=4 1600 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [0,0,0,1,0,0|2,0,0]=3 1601 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [0,0,0,1,0,0|3,0,0]=4 1602 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [0,0,0,1,0,0|2,0,0]=3 1603 B7R1.3 O=P1OCCCO1 MCULE-9154920312 [0,0,0,1,0,0|3,0,0]=4 1604 B7R1.3 O=S1CCCCC1 MCULE-1275253796 [0,0,0,1,0,0|3,0,0]=4 1605 B7R1.3 O=S1CCNCC1 MCULE-1812570930 [0,0,0,1,0,0|3,0,0]=4 1606 B7R1.3 O=S1CCNCC1 MCULE-9878649050 [0,0,0,1,0,0|3,0,0]=4 1607 B7R1.3 O=S1CCOCC1 MCULE-4979531002 [0,0,0,1,0,0|2,1,0]=4 1608 B7R1.3 O=S1OCCCO1 MCULE-4755606100 [0,0,0,1,0,0|3,0,0]=4 1609 B7R1.3 OC1=CN=NCC1 MCULE-3904781537 [0,0,0,1,0,0|3,0,0]=4 1610 B7R1.3 OC1CCCCC1 MCULE-8217921343 [0,0,0,1,0,0|2,0,1]=4 1611 B7R1.3 OC1CCCCN1 MCULE-7168605870 [0,0,0,1,0,0|2,0,1]=4 1612 B7R1.3 OC1CCCCN1 MCULE-9833825308 [0,0,0,1,0,0|2,0,1]=4 1613 B7R1.3 OC1CCCCO1 MCULE-1415784498 [0,0,0,1,0,0|1,0,2]=4 1614 B7R1.3 OC1CCNCC1 MCULE-3572807775 [0,0,0,1,0,0|2,0,1]=4 1615 B7R1.3 OC1CCNCC1 MCULE-4216905638 [0,0,0,1,0,0|2,0,1]=4 1616 B7R1.3 OC1CCNCC1 MCULE-8298401309 [0,0,0,1,0,0|2,0,1]=4 1617 B7R1.3 OC1CCOCC1 MCULE-3789534226 [0,0,0,1,0,0|1,1,1]=4 1618 B7R1.3 OC1CCSCC1 MCULE-6056663037 [0,0,0,1,0,0|1,0,1]=3 1619 B7R1.3 ON1CCCCC1 MCULE-5529301217 [0,0,0,1,0,0|3,0,0]=4 1620 B7R1.3 ON1CCOCC1 MCULE-9071295312 [0,0,0,1,0,0|2,1,0]=4 1621 B7R1.3 S=C1CCCCC1 MCULE-6072375043 [0,0,0,1,0,0|2,1,0]=4 1622 B7R1.3 S=C1CCCCN1 MCULE-2004608075 [0,0,0,1,0,0|2,1,0]=4 1623 B7R1.3 S=C1NCCCO1 MCULE-2364674450 [0,0,0,1,0,0|2,1,0]=4 1624 B7R1.3 SC1CCSCC1 MCULE-8741596394 [0,0,0,1,0,0|1,1,1]=4 1625 B7R1.5 CCCC1ON1C MCULE-8959342998 [0,0,0,1,0,0|3,0,0]=4 1626 B7R1.7 CCCCC1CO1 MCULE-8403189539 [0,0,0,1,0,0|2,0,1]=4 1627 B7R1.7 COCCC1CO1 MCULE-9068008411 [0,0,0,1,0,0|1,1,1]=4 1628 B7R1.10 C#CC1CC(=O)C1 MCULE-3858789141 [0,0,0,1,0,0|2,0,1]=4 1629 B7R1.10 C=C1CC(C1)NC MCULE-3988893291 [0,0,0,1,0,0|3,0,0]=4 1630 B7R1.10 C=CC1CC(=O)C1 MCULE-2741892250 [0,0,0,1,0,0|2,0,1]=4 1631 B7R1.10 C=CC1CC(=O)N1 MCULE-2790457728 [0,0,0,1,0,0|2,0,1]=4 1632 B7R1.10 CCC1CC(=O)C1 MCULE-6356390328 [0,0,0,1,0,0|2,0,0]=3 1633 B7R1.10 CNC1CC(C1)O MCULE-1360972312 [0,0,0,1,0,0|2,0,1]=4 1634 B7R1.10 CNC1CC(C1)O MCULE-1798280109 [0,0,0,1,0,0|2,0,1]=4 1635 B7R1.10 CN[C@H]1C[C@@H](C1)O MCULE-2573139583 [0,0,0,1,0,0|2,0,1]=4 1636 B7R1.10 CN[C@H]1C[C@@H](C1)O MCULE-8240672064 [0,0,0,1,0,0|2,0,1]=4 1637 B7R1.10 CN[C@H]1C[C@H](C1)O MCULE-1676114682 [0,0,0,1,0,0|2,0,1]=4 1638 B7R1.10 CN[C@H]1C[C@H](C1)O MCULE-5219886186 [0,0,0,1,0,0|2,0,1]=4 1639 B7R1.10 COC1CC(=O)C1 MCULE-3488458490 [0,0,0,1,0,0|1,1,0]=3 1640 B7R1.10 COC1CC(C1)O MCULE-6762585493 [0,0,0,1,0,0|1,1,1]=4 1641 B7R1.10 CO[C@H]1C[C@@H](C1)O MCULE-8355585959 [0,0,0,1,0,0|1,1,1]=4 1642 B7R1.10 CO[C@H]1C[C@H](C1)O MCULE-4960775262 [0,0,0,1,0,0|1,1,1]=4 1643 B7R1.10 CSC1CC(=O)C1 MCULE-4578180421 [0,0,0,1,0,0|1,0,0]=2 1644 B7R1.10 CSC1CC(C1)N MCULE-3576120726 [0,0,0,1,0,0|2,0,1]=4 1645 B7R1.10 CSC1CC(C1)N MCULE-5640448812 [0,0,0,1,0,0|2,0,1]=4 1646 B7R1.10 CSC1CC(C1)O MCULE-1605912153 [0,0,0,1,0,0|1,0,1]=3 1647 B7R1.10 N#CC1CC(=O)C1 MCULE-7054848642 [0,0,0,1,0,0|3,0,0]=4 1648 B7R1.10 NCC1CC(=O)C1 MCULE-2475090953 [0,0,0,1,0,0|3,0,0]=4 1649 B7R1.10 NCC1CC(=O)C1 MCULE-3448735299 [0,0,0,1,0,0|3,0,0]=4 1650 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [0,0,0,1,0,0|3,0,0]=4 1651 B7R1.10 O=C1CC(C1)CBr MCULE-3146426428 [0,0,0,1,0,0|3,0,0]=4 1652 B7R1.10 O=C1CC(C1)CCl MCULE-9945216137 [0,0,0,1,0,0|3,0,0]=4 1653 B7R1.10 O=C1CC(C1)CF MCULE-5064337976 [0,0,0,1,0,0|3,0,0]=4 1654 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [0,0,0,1,0,0|3,0,0]=4 1655 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [0,0,0,1,0,0|3,0,0]=4 1656 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [0,0,0,1,0,0|3,0,0]=4 1657 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [0,0,0,1,0,0|3,0,0]=4 1658 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [0,0,0,1,0,0|2,0,0]=3 1659 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [0,0,0,1,0,0|3,0,0]=4 1660 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [0,0,0,1,0,0|3,0,0]=4 1661 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [0,0,0,1,0,0|3,0,0]=4 1662 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,0,0,1,0,0|1,0,1]=3 1663 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [0,0,0,1,0,0|2,0,0]=3 1664 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [0,0,0,1,0,0|2,0,0]=3 1665 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,0,0,1,0,0|1,0,1]=3 1666 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [0,0,0,1,0,0|2,0,0]=3 1667 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [0,0,0,1,0,0|2,0,0]=3 1668 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,0,0,1,0,0|1,0,0]=2 1669 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [0,0,0,1,0,0|3,0,0]=4 1670 B7R1.12 C[C@@H]1C[C@@H]1B(O)O MCULE-4091409950 [0,0,0,1,0,0|2,0,1]=4 1671 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,0,0,1,0,0|1,0,0]=2 1672 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,0,0,1,0,0|1,0,0]=2 1673 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,0,0,1,0,0|1,0,0]=2 1674 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,0,0,1,0,0|1,0,0]=2 1675 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,0,0,1,0,0|1,0,0]=2 1676 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,0,0,1,0,0|1,0,0]=2 1677 B7R1.12 C[C@H]1C[C@H]1B(O)O MCULE-9584013970 [0,0,0,1,0,0|2,0,1]=4 1678 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,0,0,1,0,0|1,0,0]=2 1679 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,0,0,1,0,0|1,0,0]=2 1680 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,0,0,1,0,0|1,0,0]=2 1681 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,0,0,1,0,0|3,0,0]=4 1682 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [0,0,0,1,0,0|3,0,0]=4 1683 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,0,0,1,0,0|2,0,0]=3 1684 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,0,0,1,0,0|2,0,0]=3 1685 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,0,0,1,0,0|2,0,0]=3 1686 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,0,0,1,0,0|2,0,0]=3 1687 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,0,0,1,0,0|2,0,0]=3 1688 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,0,0,1,0,0|2,0,0]=3 1689 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,0,0,1,0,0|2,0,0]=3 1690 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,0,0,1,0,0|2,0,0]=3 1691 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,0,0,1,0,0|2,0,0]=3 1692 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,0,0,1,0,0|2,0,0]=3 1693 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,0,0,1,0,0|2,0,0]=3 1694 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,0,0,1,0,0|2,0,0]=3 1695 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,0,0,1,0,0|2,0,0]=3 1696 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,0,0,1,0,0|2,0,0]=3 1697 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,0,0,1,0,0|2,0,0]=3 1698 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,0,0,1,0,0|2,0,0]=3 1699 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,0,0,1,0,0|2,0,0]=3 1700 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,0,0,1,0,0|2,0,0]=3 1701 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,0,0,1,0,0|2,0,0]=3 1702 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,0,0,1,0,0|2,0,0]=3 1703 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,0,0,1,0,0|2,0,0]=3 1704 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,0,0,1,0,0|2,0,0]=3 1705 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,0,0,1,0,0|1,0,0]=2 1706 B7R1.14 CC1(CCCC1)O MCULE-1425529053 [0,0,0,1,0,0|2,0,1]=4 1707 B7R1.14 CC1(CCNC1)O MCULE-1812572207 [0,0,0,1,0,0|2,0,1]=4 1708 B7R1.14 CC1(CCNC1)O MCULE-3978790995 [0,0,0,1,0,0|2,0,1]=4 1709 B7R1.14 CC1(CCNC1)O MCULE-6355817754 [0,0,0,1,0,0|2,0,1]=4 1710 B7R1.14 CC1(CCNC1)O MCULE-7199660654 [0,0,0,1,0,0|2,0,1]=4 1711 B7R1.14 CC1(CCOC1)O MCULE-5065022086 [0,0,0,1,0,0|1,1,1]=4 1712 B7R1.14 CC1(CCSC1)O MCULE-3138867143 [0,0,0,1,0,0|1,0,1]=3 1713 B7R1.14 C[C@@]1(CCNC1)O MCULE-2185266890 [0,0,0,1,0,0|2,0,1]=4 1714 B7R1.14 C[C@@]1(CCNC1)O MCULE-4472850857 [0,0,0,1,0,0|2,0,1]=4 1715 B7R1.14 C[C@@]1(CCNC1)O MCULE-7216590589 [0,0,0,1,0,0|2,0,1]=4 1716 B7R1.14 C[C@@]1(CCNC1)O MCULE-9031112405 [0,0,0,1,0,0|2,0,1]=4 1717 B7R1.14 C[C@]1(CCNC1)O MCULE-2513078981 [0,0,0,1,0,0|2,0,1]=4 1718 B7R1.14 C[C@]1(CCNC1)O MCULE-2837064957 [0,0,0,1,0,0|2,0,1]=4 1719 B7R1.14 C[C@]1(CCNC1)O MCULE-5133863014 [0,0,0,1,0,0|2,0,1]=4 1720 B7R1.14 C[C@]1(CCNC1)O MCULE-5887726834 [0,0,0,1,0,0|2,0,1]=4 1721 B7R1.14 N=S1(=O)CCCC1 MCULE-6922708158 [0,0,0,1,0,0|3,0,0]=4 1722 B7R1.14 O=P1(CCCC1)Cl MCULE-9877294162 [0,0,0,1,0,0|3,0,0]=4 1723 B7R1.14 O=S1(=O)CCCC1 MCULE-3506686856 [0,0,0,1,0,0|2,0,1]=4 1724 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,0,0,1,0,0|2,0,0]=3 1725 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [0,0,0,1,0,0|2,0,0]=3 1726 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [0,0,0,1,0,0|2,0,0]=3 1727 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [0,0,0,1,0,0|2,0,0]=3 1728 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [0,0,0,1,0,0|2,0,0]=3 1729 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [0,0,0,1,0,0|1,1,0]=3 1730 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [0,0,0,1,0,0|3,0,0]=4 1731 B7R1.18 CC(N)C1CSC1 MCULE-5095506053 [0,0,0,1,0,0|2,0,1]=4 1732 B7R1.18 CC(O)C1CCC1 MCULE-7846963519 [0,0,0,1,0,0|2,0,1]=4 1733 B7R1.18 CC(O)C1CNC1 MCULE-1265886795 [0,0,0,1,0,0|2,0,1]=4 1734 B7R1.18 CC(O)C1CNC1 MCULE-5108259269 [0,0,0,1,0,0|2,0,1]=4 1735 B7R1.18 CC(O)C1CNC1 MCULE-8265279011 [0,0,0,1,0,0|2,0,1]=4 1736 B7R1.18 CC(O)C1COC1 MCULE-4981198639 [0,0,0,1,0,0|1,1,1]=4 1737 B7R1.18 CS(=O)C1CNC1 MCULE-1896314246 [0,0,0,1,0,0|3,0,0]=4 1738 B7R1.18 CS(=O)C1CNC1 MCULE-3655021594 [0,0,0,1,0,0|3,0,0]=4 1739 B7R1.18 C[C@@H](O)C1CCC1 MCULE-6990873960 [0,0,0,1,0,0|2,0,1]=4 1740 B7R1.18 C[C@@H](O)C1COC1 MCULE-5223611242 [0,0,0,1,0,0|1,1,1]=4 1741 B7R1.18 C[C@@H](O)C1COC1 MCULE-5819578881 [0,0,0,1,0,0|1,1,1]=4 1742 B7R1.18 C[C@H](O)C1CCC1 MCULE-5072123772 [0,0,0,1,0,0|2,0,1]=4 1743 B7R1.18 C[C@H](O)C1CCC1 MCULE-6701623925 [0,0,0,1,0,0|2,0,1]=4 1744 B7R1.18 C[C@H](O)C1CNC1 MCULE-4694154501 [0,0,0,1,0,0|2,0,1]=4 1745 B7R1.18 C[C@H](O)C1CNC1 MCULE-5870270724 [0,0,0,1,0,0|2,0,1]=4 1746 B7R1.18 C[C@H](O)C1COC1 MCULE-1396791034 [0,0,0,1,0,0|1,1,1]=4 1747 B7R1.18 C[C@H](O)C1COC1 MCULE-8805369596 [0,0,0,1,0,0|1,1,1]=4 1748 B7R1.18 N=C(N)C1CCC1 MCULE-3470535674 [0,0,0,1,0,0|3,0,0]=4 1749 B7R1.18 N=C(N)C1CCC1 MCULE-4802517706 [0,0,0,1,0,0|3,0,0]=4 1750 B7R1.18 N=C(N)C1CCC1 MCULE-5858986439 [0,0,0,1,0,0|3,0,0]=4 1751 B7R1.18 N=C(N)C1CSC1 MCULE-6979629096 [0,0,0,1,0,0|2,0,0]=3 1752 B7R1.18 N=C(N)C1CSC1 MCULE-8561937098 [0,0,0,1,0,0|2,0,0]=3 1753 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [0,0,0,1,0,0|2,0,0]=3 1754 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,0,0,1,0,0|3,0,0]=4 1755 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,0,0,1,0,0|3,0,0]=4 1756 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [0,0,0,1,0,0|2,0,0]=3 1757 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [0,0,0,1,0,0|2,0,0]=3 1758 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [0,0,0,1,0,0|2,0,0]=3 1759 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [0,0,0,1,0,0|1,1,0]=3 1760 B7R1.18 NC(=O)N1CCC1 MCULE-1594728830 [0,0,0,1,0,0|3,0,0]=4 1761 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,0,0,1,0,0|3,0,0]=4 1762 B7R1.18 NC(=S)C1CCC1 MCULE-9753547991 [0,0,0,1,0,0|2,1,0]=4 1763 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [0,0,0,1,0,0|2,0,0]=3 1764 B7R1.18 O=C(Cl)N1CCC1 MCULE-8313088104 [0,0,0,1,0,0|3,0,0]=4 1765 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,0,0,1,0,0|1,0,2]=4 1766 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [0,0,0,1,0,0|1,0,0]=2 1767 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,0,0,1,0,0|2,0,0]=3 1768 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,0,0,1,0,0|2,0,0]=3 1769 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,0,0,1,0,0|2,0,0]=3 1770 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,0,0,1,0,0|2,0,0]=3 1771 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,0,0,1,0,0|2,0,0]=3 1772 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [0,0,0,1,0,0|1,0,0]=2 1773 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [0,0,0,1,0,0|1,0,0]=2 1774 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,0,0,1,0,0|0,1,0]=2 1775 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [0,0,0,1,0,0|0,0,0]=1 1776 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,0,0,1,0,0|2,0,0]=3 1777 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,0,0,1,0,0|2,0,0]=3 1778 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,0,0,1,0,0|2,0,0]=3 1779 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,0,0,1,0,0|2,0,0]=3 1780 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,0,0,1,0,0|2,0,0]=3 1781 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,0,0,1,0,0|2,0,0]=3 1782 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,0,0,1,0,0|2,0,0]=3 1783 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,0,0,1,0,0|2,0,0]=3 1784 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,0,0,1,0,0|2,0,0]=3 1785 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,0,0,1,0,0|2,0,0]=3 1786 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,0,0,1,0,0|2,0,0]=3 1787 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,0,0,1,0,0|2,0,0]=3 1788 B7R1.18 O=N(=O)C1CCC1 MCULE-1263563910 [0,0,0,1,0,0|2,0,1]=4 1789 B7R1.18 O=N(=O)C1COC1 MCULE-1243582303 [0,0,0,1,0,0|1,1,1]=4 1790 B7R1.18 O=S([O-])C1CCC1 MCULE-2181260614 [0,0,0,1,0,0|2,0,1]=4 1791 B7R1.18 O=S([O-])C1CCC1 MCULE-5691798035 [0,0,0,1,0,0|2,0,1]=4 1792 B7R1.18 OB(O)C1CCC1 MCULE-3574521261 [0,0,0,1,0,0|2,0,1]=4 1793 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [0,0,0,1,0,0|2,0,0]=3 1794 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [0,0,0,1,0,0|3,0,0]=4 1795 B7R1.20 CC(O)CC1CC1 MCULE-1952195648 [0,0,0,1,0,0|2,0,1]=4 1796 B7R1.20 C[C@@H](O)CC1CC1 MCULE-2616688976 [0,0,0,1,0,0|2,0,1]=4 1797 B7R1.20 C[C@H](O)CC1CC1 MCULE-5001414363 [0,0,0,1,0,0|2,0,1]=4 1798 B7R1.20 N=C(N)CC1CC1 MCULE-6959128379 [0,0,0,1,0,0|3,0,0]=4 1799 B7R1.20 N=C(N)CC1CC1 MCULE-7106217917 [0,0,0,1,0,0|3,0,0]=4 1800 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [0,0,0,1,0,0|2,0,0]=3 1801 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [0,0,0,1,0,0|1,1,0]=3 1802 B7R1.20 NC(=O)NC1CC1 MCULE-4338833542 [0,0,0,1,0,0|3,0,0]=4 1803 B7R1.20 NC(=S)CC1CC1 MCULE-3521862976 [0,0,0,1,0,0|2,1,0]=4 1804 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [0,0,0,1,0,0|2,0,0]=3 1805 B7R1.20 O=C(Cl)NC1CC1 MCULE-8107862020 [0,0,0,1,0,0|3,0,0]=4 1806 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [0,0,0,1,0,0|3,0,0]=4 1807 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [0,0,0,1,0,0|1,0,2]=4 1808 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [0,0,0,1,0,0|1,0,0]=2 1809 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [0,0,0,1,0,0|0,1,0]=2 1810 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [0,0,0,1,0,0|0,1,0]=2 1811 B7R1.20 O=N(=O)CC1CC1 MCULE-1695328225 [0,0,0,1,0,0|2,0,1]=4 1812 B7R1.20 O=S([O-])CC1CC1 MCULE-5174157846 [0,0,0,1,0,0|2,0,1]=4 1813 B7R1.20 O=S([O-])CC1CC1 MCULE-8367574745 [0,0,0,1,0,0|2,0,1]=4 1814 B7R1.20 OB(O)CC1CC1 MCULE-2775080556 [0,0,0,1,0,0|2,0,1]=4 1815 B4R0.1 C#CC(=O)O MCULE-8764256624 [2,0,0,0,0,0|0,0,2]=4 1816 B4R0.1 C=C(Br)CC MCULE-6271946451 [2,0,0,0,0,0|2,0,0]=4 1817 B4R0.1 C=C(C)CS MCULE-5174170431 [2,0,0,0,0,0|2,0,0]=4 1818 B4R0.1 C=CC(=O)O MCULE-9352227082 [2,0,0,0,0,0|0,0,2]=4 1819 B4R0.1 CC(=O)CBr MCULE-7812920675 [2,0,0,0,0,0|2,0,0]=4 1820 B4R0.1 CC(=O)CCl MCULE-2501365933 [2,0,0,0,0,0|2,0,0]=4 1821 B4R0.1 CC(=O)CF MCULE-7417279999 [2,0,0,0,0,0|2,0,0]=4 1822 B4R0.1 CC(=O)CN MCULE-2715277783 [2,0,0,0,0,0|2,0,0]=4 1823 B4R0.1 CC(=O)CN MCULE-6004541862 [2,0,0,0,0,0|2,0,0]=4 1824 B4R0.1 CC(=O)CO MCULE-2989526028 [2,0,0,0,0,0|1,1,0]=4 1825 B4R0.1 CC(=O)CS MCULE-9736174016 [2,0,0,0,0,0|1,0,0]=3 1826 B4R0.1 CC(O)CS MCULE-7881083356 [2,0,0,0,0,0|1,0,1]=4 1827 B4R0.1 CCB(O)O MCULE-1650960999 [2,0,0,0,0,0|1,0,1]=4 1828 B4R0.1 CCC(=N)N MCULE-1856575742 [2,0,0,0,0,0|2,0,0]=4 1829 B4R0.1 CCC(=N)N MCULE-2534386807 [2,0,0,0,0,0|2,0,0]=4 1830 B4R0.1 CCC(=O)Br MCULE-7870678619 [2,0,0,0,0,0|1,0,0]=3 1831 B4R0.1 CCC(=O)C MCULE-8276670748 [2,0,0,0,0,0|1,0,0]=3 1832 B4R0.1 CCC(=O)Cl MCULE-3081874391 [2,0,0,0,0,0|1,0,0]=3 1833 B4R0.1 CCC(=O)F MCULE-8783887670 [2,0,0,0,0,0|1,0,0]=3 1834 B4R0.1 CCC(=O)N MCULE-3730796130 [2,0,0,0,0,0|1,0,0]=3 1835 B4R0.1 CCC(=O)O MCULE-2199051150 [2,0,0,0,0,0|0,0,0]=2 1836 B4R0.1 CCC(=O)O MCULE-9800054040 [2,0,0,0,0,0|0,0,0]=2 1837 B4R0.1 CCC(=O)S MCULE-3392119766 [2,0,0,0,0,0|0,1,0]=3 1838 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [2,0,0,0,0,0|0,0,1]=3 1839 B4R0.1 CCC(=S)N MCULE-3921479699 [2,0,0,0,0,0|1,1,0]=4 1840 B4R0.1 CCC(C)O MCULE-4099350806 [2,0,0,0,0,0|1,0,1]=4 1841 B4R0.1 CCC(C)O MCULE-5005120003 [2,0,0,0,0,0|1,0,1]=4 1842 B4R0.1 CCN(=O)=O MCULE-6603591614 [2,0,0,0,0,0|1,0,1]=4 1843 B4R0.1 CCS(=O)C MCULE-4400935745 [2,0,0,0,0,0|2,0,0]=4 1844 B4R0.1 CCS(=O)O MCULE-9872932319 [2,0,0,0,0,0|1,0,0]=3 1845 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [2,0,0,0,0,0|1,0,1]=4 1846 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [2,0,0,0,0,0|1,0,1]=4 1847 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [2,0,0,0,0,0|1,0,1]=4 1848 B4R0.1 CC[C@H](C)O MCULE-3700911573 [2,0,0,0,0,0|1,0,1]=4 1849 B4R0.1 CC[C@H](C)O MCULE-6063716138 [2,0,0,0,0,0|1,0,1]=4 1850 B4R0.1 CNC(=O)C MCULE-2612997941 [2,0,0,0,0,0|2,0,0]=4 1851 B4R0.1 CNC(=O)Cl MCULE-7743744606 [2,0,0,0,0,0|2,0,0]=4 1852 B4R0.1 CNC(=O)N MCULE-6422331704 [2,0,0,0,0,0|2,0,0]=4 1853 B4R0.1 COC(=O)C MCULE-7368066093 [2,0,0,0,0,0|1,1,0]=4 1854 B4R0.1 COC(=O)Cl MCULE-8022274771 [2,0,0,0,0,0|1,1,0]=4 1855 B4R0.1 COC(=O)N MCULE-4070607369 [2,0,0,0,0,0|1,1,0]=4 1856 B4R0.1 CSC(=N)N MCULE-1471368384 [2,0,0,0,0,0|2,0,0]=4 1857 B4R0.1 CSC(=N)N MCULE-3394284504 [2,0,0,0,0,0|2,0,0]=4 1858 B4R0.1 CSC(=N)N MCULE-3752198299 [2,0,0,0,0,0|2,0,0]=4 1859 B4R0.1 CSC(=N)N MCULE-5672446896 [2,0,0,0,0,0|2,0,0]=4 1860 B4R0.1 CSC(=N)N MCULE-8409992127 [2,0,0,0,0,0|2,0,0]=4 1861 B4R0.1 CSC(=O)C MCULE-7061634598 [2,0,0,0,0,0|1,0,0]=3 1862 B4R0.1 CSC(=S)C MCULE-4836153374 [2,0,0,0,0,0|1,1,0]=4 1863 B4R0.1 CSS(=O)C MCULE-6515592458 [2,0,0,0,0,0|2,0,0]=4 1864 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [2,0,0,0,0,0|1,0,1]=4 1865 B4R0.1 C[C@H](O)CS MCULE-9061842733 [2,0,0,0,0,0|1,0,1]=4 1866 B4R0.1 NC(=O)CBr MCULE-9306090536 [2,0,0,0,0,0|2,0,0]=4 1867 B4R0.1 NC(=O)CCl MCULE-3241549842 [2,0,0,0,0,0|2,0,0]=4 1868 B4R0.1 NC(=O)CF MCULE-3344212657 [2,0,0,0,0,0|2,0,0]=4 1869 B4R0.1 NC(=O)CI MCULE-4217973413 [2,0,0,0,0,0|2,0,0]=4 1870 B4R0.1 NC(=O)CO MCULE-2739878376 [2,0,0,0,0,0|1,1,0]=4 1871 B4R0.1 NC(=O)CS MCULE-2639305532 [2,0,0,0,0,0|1,0,0]=3 1872 B4R0.1 NCC(=O)N MCULE-1048848056 [2,0,0,0,0,0|2,0,0]=4 1873 B4R0.1 NCC(=O)N MCULE-2174395809 [2,0,0,0,0,0|2,0,0]=4 1874 B4R0.1 NCC(=O)N MCULE-6113166250 [2,0,0,0,0,0|2,0,0]=4 1875 B4R0.1 NCC(=O)O MCULE-2415764032 [2,0,0,0,0,0|1,0,0]=3 1876 B4R0.1 NCC(=O)O MCULE-3643110755 [2,0,0,0,0,0|1,0,0]=3 1877 B4R0.1 NCC(=O)O MCULE-4349255299 [2,0,0,0,0,0|1,0,0]=3 1878 B4R0.1 NCC(=O)O MCULE-9146223615 [2,0,0,0,0,0|1,0,0]=3 1879 B4R0.1 NCC(=O)O MCULE-9701991737 [2,0,0,0,0,0|1,0,0]=3 1880 B4R0.1 NCC(=O)S MCULE-9837799864 [2,0,0,0,0,0|1,1,0]=4 1881 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [2,0,0,0,0,0|1,0,1]=4 1882 B4R0.1 O=C(Br)CBr MCULE-6031858200 [2,0,0,0,0,0|2,0,0]=4 1883 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [2,0,0,0,0,0|2,0,0]=4 1884 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [2,0,0,0,0,0|2,0,0]=4 1885 B4R0.1 O=C(Cl)CF MCULE-7182087882 [2,0,0,0,0,0|2,0,0]=4 1886 B4R0.1 O=C(Cl)CI MCULE-5719121455 [2,0,0,0,0,0|2,0,0]=4 1887 B4R0.1 O=C(Cl)SCl MCULE-5008011265 [2,0,0,0,0,0|2,0,0]=4 1888 B4R0.1 O=C(O)CBr MCULE-1503716137 [2,0,0,0,0,0|1,0,0]=3 1889 B4R0.1 O=C(O)CCl MCULE-9228754880 [2,0,0,0,0,0|1,0,0]=3 1890 B4R0.1 O=C(O)CF MCULE-6584094437 [2,0,0,0,0,0|1,0,0]=3 1891 B4R0.1 O=C(O)CI MCULE-3146792857 [2,0,0,0,0,0|1,0,0]=3 1892 B4R0.1 O=C(O)CO MCULE-9792551388 [2,0,0,0,0,0|0,1,0]=3 1893 B4R0.1 O=C(O)CS MCULE-8097997001 [2,0,0,0,0,0|0,0,0]=2 1894 B4R0.1 O=C([O-])CF MCULE-8428965857 [2,0,0,0,0,0|1,0,1]=4 1895 B4R0.1 O=C([O-])CO MCULE-2780567509 [2,0,0,0,0,0|0,1,1]=4 1896 B4R0.1 O=C([O-])CS MCULE-3314809220 [2,0,0,0,0,0|0,0,1]=3 1897 B4R0.1 O=C([O-])CS MCULE-5989133747 [2,0,0,0,0,0|0,0,1]=3 1898 B4R0.1 O=CC(=O)O MCULE-5307898766 [2,0,0,0,0,0|0,1,1]=4 1899 B4R0.1 O=S(O)CO MCULE-4195832185 [2,0,0,0,0,0|1,1,0]=4 1900 B4R0.1 P(=O)(O)CN MCULE-5441171864 [2,0,0,0,0,0|2,0,0]=4 1901 B4R0.2 C#CCCC MCULE-1233806896 [2,0,0,0,0,0|1,0,1]=4 1902 B4R0.2 C#CCCO MCULE-1797559276 [2,0,0,0,0,0|1,0,1]=4 1903 B4R0.2 C#CCCO MCULE-8743964065 [2,0,0,0,0,0|1,0,1]=4 1904 B4R0.2 C#CCSC MCULE-6808040899 [2,0,0,0,0,0|0,0,2]=4 1905 B4R0.2 C/C=C/C=O MCULE-9924705308 [2,0,0,0,0,0|0,0,2]=4 1906 B4R0.2 C/C=C/CO MCULE-2383161163 [2,0,0,0,0,0|1,0,1]=4 1907 B4R0.2 C/C=C\CO MCULE-5924662327 [2,0,0,0,0,0|1,0,1]=4 1908 B4R0.2 C=CCCBr MCULE-2890129103 [2,0,0,0,0,0|2,0,0]=4 1909 B4R0.2 C=CCCC MCULE-8386546337 [2,0,0,0,0,0|1,0,0]=3 1910 B4R0.2 C=CCCCl MCULE-5903789900 [2,0,0,0,0,0|2,0,0]=4 1911 B4R0.2 C=CCCI MCULE-1055671394 [2,0,0,0,0,0|2,0,0]=4 1912 B4R0.2 C=CCCN MCULE-2471716627 [2,0,0,0,0,0|2,0,0]=4 1913 B4R0.2 C=CCCN MCULE-2881108697 [2,0,0,0,0,0|2,0,0]=4 1914 B4R0.2 C=CCCO MCULE-4582400839 [2,0,0,0,0,0|1,0,1]=4 1915 B4R0.2 C=CCNC MCULE-3335720336 [2,0,0,0,0,0|1,0,1]=4 1916 B4R0.2 C=CCOC MCULE-3321225771 [2,0,0,0,0,0|0,1,1]=4 1917 B4R0.2 C=CCSC MCULE-4452023915 [2,0,0,0,0,0|0,0,1]=3 1918 B4R0.2 C=COCC MCULE-2569047033 [2,0,0,0,0,0|2,0,0]=4 1919 B4R0.2 C=CSCC MCULE-8927374165 [2,0,0,0,0,0|2,0,0]=4 1920 B4R0.2 CC#CC=O MCULE-9270622693 [2,0,0,0,0,0|0,0,2]=4 1921 B4R0.2 CC#CCO MCULE-5096552076 [2,0,0,0,0,0|1,0,1]=4 1922 B4R0.2 CC=CC=O MCULE-2497362981 [2,0,0,0,0,0|0,0,2]=4 1923 B4R0.2 CC=CCC MCULE-5931905453 [2,0,0,0,0,0|1,0,1]=4 1924 B4R0.2 CC=CCO MCULE-7490725844 [2,0,0,0,0,0|1,0,1]=4 1925 B4R0.2 CC=CSC MCULE-5921906156 [2,0,0,0,0,0|1,0,1]=4 1926 B4R0.2 CCC=CBr MCULE-4471551501 [2,0,0,0,0,0|1,0,1]=4 1927 B4R0.2 CCC=NO MCULE-9457280654 [2,0,0,0,0,0|1,0,1]=4 1928 B4R0.2 CCCC#N MCULE-8571076087 [2,0,0,0,0,0|1,0,1]=4 1929 B4R0.2 CCCC=O MCULE-8530391347 [2,0,0,0,0,0|0,0,0]=2 1930 B4R0.2 CCCCBr MCULE-3390217131 [2,0,0,0,0,0|1,0,1]=4 1931 B4R0.2 CCCCC MCULE-4643148765 [2,0,0,0,0,0|1,0,1]=4 1932 B4R0.2 CCCCCl MCULE-5329900290 [2,0,0,0,0,0|1,0,1]=4 1933 B4R0.2 CCCCF MCULE-7225760858 [2,0,0,0,0,0|1,0,1]=4 1934 B4R0.2 CCCCI MCULE-1160974720 [2,0,0,0,0,0|1,0,1]=4 1935 B4R0.2 CCCCN MCULE-1731874934 [2,0,0,0,0,0|1,0,1]=4 1936 B4R0.2 CCCCN MCULE-4233278050 [2,0,0,0,0,0|1,0,1]=4 1937 B4R0.2 CCCCN MCULE-5242069370 [2,0,0,0,0,0|1,0,1]=4 1938 B4R0.2 CCCCN MCULE-7343835253 [2,0,0,0,0,0|1,0,1]=4 1939 B4R0.2 CCCCO MCULE-1571156443 [2,0,0,0,0,0|0,0,1]=3 1940 B4R0.2 CCCCS MCULE-9441213933 [2,0,0,0,0,0|0,1,1]=4 1941 B4R0.2 CCCNC MCULE-2266616259 [2,0,0,0,0,0|1,0,1]=4 1942 B4R0.2 CCCNC MCULE-7722796872 [2,0,0,0,0,0|1,0,1]=4 1943 B4R0.2 CCCNN MCULE-4121438775 [2,0,0,0,0,0|2,0,0]=4 1944 B4R0.2 CCCNN MCULE-5875592228 [2,0,0,0,0,0|2,0,0]=4 1945 B4R0.2 CCCNN MCULE-9585694661 [2,0,0,0,0,0|2,0,0]=4 1946 B4R0.2 CCCOC MCULE-5854067718 [2,0,0,0,0,0|0,1,1]=4 1947 B4R0.2 CCCON MCULE-4800172637 [2,0,0,0,0,0|2,0,0]=4 1948 B4R0.2 CCCON MCULE-7988781002 [2,0,0,0,0,0|2,0,0]=4 1949 B4R0.2 CCCSC MCULE-8387041737 [2,0,0,0,0,0|0,0,1]=3 1950 B4R0.2 CCN=C=O MCULE-6522145601 [2,0,0,0,0,0|1,0,1]=4 1951 B4R0.2 CCNC=O MCULE-9309926274 [2,0,0,0,0,0|1,0,0]=3 1952 B4R0.2 CCOC=N MCULE-5321655909 [2,0,0,0,0,0|2,0,0]=4 1953 B4R0.2 CCOC=N MCULE-8158357614 [2,0,0,0,0,0|2,0,0]=4 1954 B4R0.2 CCOC=O MCULE-6245072161 [2,0,0,0,0,0|1,0,0]=3 1955 B4R0.2 CCSSC MCULE-9430585714 [2,0,0,0,0,0|1,0,1]=4 1956 B4R0.2 CNCCBr MCULE-3708780806 [2,0,0,0,0,0|2,0,0]=4 1957 B4R0.2 CNCCBr MCULE-6840755559 [2,0,0,0,0,0|2,0,0]=4 1958 B4R0.2 CNCCCl MCULE-1666345560 [2,0,0,0,0,0|2,0,0]=4 1959 B4R0.2 CNCCCl MCULE-8215813413 [2,0,0,0,0,0|2,0,0]=4 1960 B4R0.2 CNCCF MCULE-3719880423 [2,0,0,0,0,0|2,0,0]=4 1961 B4R0.2 CNCCF MCULE-3751701745 [2,0,0,0,0,0|2,0,0]=4 1962 B4R0.2 CNCCI MCULE-7026781832 [2,0,0,0,0,0|2,0,0]=4 1963 B4R0.2 CNCCI MCULE-8892686580 [2,0,0,0,0,0|2,0,0]=4 1964 B4R0.2 CNCCN MCULE-2881688448 [2,0,0,0,0,0|2,0,0]=4 1965 B4R0.2 CNCCN MCULE-7199403269 [2,0,0,0,0,0|2,0,0]=4 1966 B4R0.2 CNCCO MCULE-7051900771 [2,0,0,0,0,0|1,0,0]=3 1967 B4R0.2 CNCCO MCULE-7934732981 [2,0,0,0,0,0|1,0,0]=3 1968 B4R0.2 CNCCS MCULE-6430516369 [2,0,0,0,0,0|1,1,0]=4 1969 B4R0.2 COCC=O MCULE-9427361019 [2,0,0,0,0,0|0,1,0]=3 1970 B4R0.2 COCCBr MCULE-8316331262 [2,0,0,0,0,0|1,1,0]=4 1971 B4R0.2 COCCCl MCULE-8886627413 [2,0,0,0,0,0|1,1,0]=4 1972 B4R0.2 COCCI MCULE-9391124374 [2,0,0,0,0,0|1,1,0]=4 1973 B4R0.2 COCCN MCULE-5051556646 [2,0,0,0,0,0|1,1,0]=4 1974 B4R0.2 COCCN MCULE-7519068386 [2,0,0,0,0,0|1,1,0]=4 1975 B4R0.2 COCCO MCULE-4751927883 [2,0,0,0,0,0|0,1,0]=3 1976 B4R0.2 COCCS MCULE-7803276094 [2,0,0,0,0,0|0,2,0]=4 1977 B4R0.2 CSCC#N MCULE-3607261611 [2,0,0,0,0,0|1,0,1]=4 1978 B4R0.2 CSCCBr MCULE-1684461541 [2,0,0,0,0,0|1,0,0]=3 1979 B4R0.2 CSCCCl MCULE-8593103756 [2,0,0,0,0,0|1,0,0]=3 1980 B4R0.2 CSCCN MCULE-5168245255 [2,0,0,0,0,0|1,0,0]=3 1981 B4R0.2 CSCCN MCULE-6275285732 [2,0,0,0,0,0|1,0,0]=3 1982 B4R0.2 CSCCO MCULE-9706874325 [2,0,0,0,0,0|0,0,0]=2 1983 B4R0.2 CSCSC MCULE-5603964020 [2,0,0,0,0,0|1,0,1]=4 1984 B4R0.2 N#CCCO MCULE-5098987368 [2,0,0,0,0,0|2,0,0]=4 1985 B4R0.2 N#CCCS MCULE-7199964466 [2,0,0,0,0,0|1,0,1]=4 1986 B4R0.2 NCCCO MCULE-2851278356 [2,0,0,0,0,0|1,0,1]=4 1987 B4R0.2 NCCCO MCULE-9698089092 [2,0,0,0,0,0|1,0,1]=4 1988 B4R0.2 NCCCS MCULE-3994478020 [2,0,0,0,0,0|1,0,1]=4 1989 B4R0.2 NCCCS MCULE-7730973866 [2,0,0,0,0,0|1,0,1]=4 1990 B4R0.2 NNCCO MCULE-1290652744 [2,0,0,0,0,0|2,0,0]=4 1991 B4R0.2 NOCCO MCULE-2545004367 [2,0,0,0,0,0|1,1,0]=4 1992 B4R0.2 O=CCCBr MCULE-4107157458 [2,0,0,0,0,0|1,0,0]=3 1993 B4R0.2 O=CCCCl MCULE-5863929313 [2,0,0,0,0,0|1,0,0]=3 1994 B4R0.2 O=CCCI MCULE-9771140462 [2,0,0,0,0,0|1,0,0]=3 1995 B4R0.2 O=CCCO MCULE-1685289763 [2,0,0,0,0,0|0,1,0]=3 1996 B4R0.2 OC=CCCl MCULE-4750991393 [2,0,0,0,0,0|1,0,1]=4 1997 B4R0.2 OCCCBr MCULE-3450011527 [2,0,0,0,0,0|1,0,1]=4 1998 B4R0.2 OCCCCl MCULE-2319230957 [2,0,0,0,0,0|1,0,1]=4 1999 B4R0.2 OCCCF MCULE-2347934403 [2,0,0,0,0,0|1,0,1]=4 2000 B4R0.2 OCCCI MCULE-5200713967 [2,0,0,0,0,0|1,0,1]=4 2001 B4R0.2 OCCCO MCULE-5166824786 [2,0,0,0,0,0|0,1,1]=4 2002 B4R0.2 OCCCS MCULE-7930164048 [2,0,0,0,0,0|0,0,1]=3 2003 B4R0.2 SCCCBr MCULE-4627341228 [2,0,0,0,0,0|1,0,1]=4 2004 B4R0.2 SCCCCl MCULE-6410389127 [2,0,0,0,0,0|1,0,1]=4 2005 B4R0.2 SCCCS MCULE-8220630729 [2,0,0,0,0,0|0,1,1]=4 2006 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [1,1,0,0,0,0|1,0,0]=3 2007 B6R0.1 C#CC(=O)NCC MCULE-3703208943 [1,1,0,0,0,0|2,0,0]=4 2008 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [1,1,0,0,0,0|2,0,0]=4 2009 B6R0.1 C#CC(O)CCC MCULE-6152066005 [1,1,0,0,0,0|1,0,1]=4 2010 B6R0.1 C#CCC(=O)OC MCULE-8097491486 [1,1,0,0,0,0|0,0,2]=4 2011 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [1,1,0,0,0,0|0,0,2]=4 2012 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [1,1,0,0,0,0|1,0,0]=3 2013 B6R0.1 C=CC(=O)COC MCULE-1933195578 [1,1,0,0,0,0|1,1,0]=4 2014 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [1,1,0,0,0,0|2,0,0]=4 2015 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [1,1,0,0,0,0|2,0,0]=4 2016 B6R0.1 C=CC(O)CCC MCULE-3664453040 [1,1,0,0,0,0|1,0,1]=4 2017 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [1,1,0,0,0,0|0,0,2]=4 2018 B6R0.1 CC#CC(=O)OC MCULE-6108678475 [1,1,0,0,0,0|0,0,2]=4 2019 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [1,1,0,0,0,0|1,0,1]=4 2020 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [1,1,0,0,0,0|0,0,2]=4 2021 B6R0.1 CCC(=O)CNC MCULE-3030105640 [1,1,0,0,0,0|2,0,0]=4 2022 B6R0.1 CCC(=O)CNC MCULE-6945295017 [1,1,0,0,0,0|2,0,0]=4 2023 B6R0.1 CCC(=O)COC MCULE-1087802011 [1,1,0,0,0,0|1,1,0]=4 2024 B6R0.1 CCC(=O)CSC MCULE-3230433182 [1,1,0,0,0,0|1,0,0]=3 2025 B6R0.1 CCC(O)CSC MCULE-3582683720 [1,1,0,0,0,0|1,0,1]=4 2026 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [1,1,0,0,0,0|1,0,0]=3 2027 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [1,1,0,0,0,0|1,0,0]=3 2028 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [1,1,0,0,0,0|1,0,1]=4 2029 B6R0.1 CCCC(=NO)C MCULE-6437787263 [1,1,0,0,0,0|1,0,0]=3 2030 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [1,1,0,0,0,0|1,0,0]=3 2031 B6R0.1 CCCC(=O)CC MCULE-7121523805 [1,1,0,0,0,0|1,0,0]=3 2032 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [1,1,0,0,0,0|1,0,0]=3 2033 B6R0.1 CCCC(=O)CN MCULE-4663263123 [1,1,0,0,0,0|1,0,0]=3 2034 B6R0.1 CCCC(=O)CN MCULE-6326368932 [1,1,0,0,0,0|1,0,0]=3 2035 B6R0.1 CCCC(=O)CO MCULE-6518249412 [1,1,0,0,0,0|0,0,0]=2 2036 B6R0.1 CCCC(=O)NC MCULE-5770149071 [1,1,0,0,0,0|1,0,0]=3 2037 B6R0.1 CCCC(=O)NN MCULE-3660167295 [1,1,0,0,0,0|1,0,0]=3 2038 B6R0.1 CCCC(=O)NO MCULE-8710375368 [1,1,0,0,0,0|0,0,0]=2 2039 B6R0.1 CCCC(=O)OC MCULE-1092030267 [1,1,0,0,0,0|0,0,0]=2 2040 B6R0.1 CCCC(=O)SC MCULE-1490654381 [1,1,0,0,0,0|0,1,0]=3 2041 B6R0.1 CCCC(=S)OC MCULE-8125476093 [1,1,0,0,0,0|0,1,0]=3 2042 B6R0.1 CCCC(C)C=O MCULE-9756444218 [1,1,0,0,0,0|1,0,1]=4 2043 B6R0.1 CCCC(C)CO MCULE-9777250826 [1,1,0,0,0,0|1,0,1]=4 2044 B6R0.1 CCCC(N)CO MCULE-3404967504 [1,1,0,0,0,0|1,0,1]=4 2045 B6R0.1 CCCC(N)CO MCULE-3802448518 [1,1,0,0,0,0|1,0,1]=4 2046 B6R0.1 CCCC(N)CO MCULE-4259078445 [1,1,0,0,0,0|1,0,1]=4 2047 B6R0.1 CCCC(N)CO MCULE-6425025734 [1,1,0,0,0,0|1,0,1]=4 2048 B6R0.1 CCCC(O)C#N MCULE-7017059503 [1,1,0,0,0,0|1,0,1]=4 2049 B6R0.1 CCCC(O)CBr MCULE-5186252424 [1,1,0,0,0,0|1,0,1]=4 2050 B6R0.1 CCCC(O)CC MCULE-9504041935 [1,1,0,0,0,0|1,0,1]=4 2051 B6R0.1 CCCC(O)CCl MCULE-4737360217 [1,1,0,0,0,0|1,0,1]=4 2052 B6R0.1 CCCC(O)CN MCULE-9402934997 [1,1,0,0,0,0|1,0,1]=4 2053 B6R0.1 CCCC(O)CO MCULE-5124107719 [1,1,0,0,0,0|0,0,2]=4 2054 B6R0.1 CCC[C@@H](N)CO MCULE-3684308356 [1,1,0,0,0,0|1,0,1]=4 2055 B6R0.1 CCC[C@@H](N)CO MCULE-4573401915 [1,1,0,0,0,0|1,0,1]=4 2056 B6R0.1 CCC[C@@H](N)CO MCULE-5502830670 [1,1,0,0,0,0|1,0,1]=4 2057 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [1,1,0,0,0,0|1,0,1]=4 2058 B6R0.1 CCC[C@H](N)CO MCULE-4293730307 [1,1,0,0,0,0|1,0,1]=4 2059 B6R0.1 CCC[C@H](N)CO MCULE-5185063577 [1,1,0,0,0,0|1,0,1]=4 2060 B6R0.1 CCC[C@H](N)CO MCULE-5836622975 [1,1,0,0,0,0|1,0,1]=4 2061 B6R0.1 CCC[C@H](N)CO MCULE-7340014196 [1,1,0,0,0,0|1,0,1]=4 2062 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [1,1,0,0,0,0|1,0,1]=4 2063 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [1,1,0,0,0,0|2,0,0]=4 2064 B6R0.1 CCNC(=O)CC MCULE-8820594723 [1,1,0,0,0,0|2,0,0]=4 2065 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [1,1,0,0,0,0|2,0,0]=4 2066 B6R0.1 CCNC(=O)CN MCULE-1913543460 [1,1,0,0,0,0|2,0,0]=4 2067 B6R0.1 CCNC(=O)CN MCULE-5473845751 [1,1,0,0,0,0|2,0,0]=4 2068 B6R0.1 CCNC(=O)CO MCULE-1386307800 [1,1,0,0,0,0|1,0,0]=3 2069 B6R0.1 CCNC(=O)NC MCULE-7197803115 [1,1,0,0,0,0|2,0,0]=4 2070 B6R0.1 CCNC(=O)NN MCULE-9055200574 [1,1,0,0,0,0|2,0,0]=4 2071 B6R0.1 CCNC(=O)NO MCULE-3264850022 [1,1,0,0,0,0|1,0,0]=3 2072 B6R0.1 CCNC(=O)OC MCULE-7110705188 [1,1,0,0,0,0|1,0,0]=3 2073 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [1,1,0,0,0,0|2,0,0]=4 2074 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [1,1,0,0,0,0|2,0,0]=4 2075 B6R0.1 CCOC(=NO)C MCULE-6964305821 [1,1,0,0,0,0|2,0,0]=4 2076 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [1,1,0,0,0,0|2,0,0]=4 2077 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [1,1,0,0,0,0|1,0,1]=4 2078 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [1,1,0,0,0,0|2,0,0]=4 2079 B6R0.1 CCOC(=O)CC MCULE-1639864693 [1,1,0,0,0,0|2,0,0]=4 2080 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [1,1,0,0,0,0|2,0,0]=4 2081 B6R0.1 CCOC(=O)CF MCULE-1926097423 [1,1,0,0,0,0|2,0,0]=4 2082 B6R0.1 CCOC(=O)CI MCULE-9898762324 [1,1,0,0,0,0|2,0,0]=4 2083 B6R0.1 CCOC(=O)CN MCULE-2185173056 [1,1,0,0,0,0|2,0,0]=4 2084 B6R0.1 CCOC(=O)CN MCULE-2628607025 [1,1,0,0,0,0|2,0,0]=4 2085 B6R0.1 CCOC(=O)CO MCULE-8121340151 [1,1,0,0,0,0|1,0,0]=3 2086 B6R0.1 CCOC(=O)CS MCULE-3354026239 [1,1,0,0,0,0|1,1,0]=4 2087 B6R0.1 CCOC(=O)NC MCULE-5506841198 [1,1,0,0,0,0|2,0,0]=4 2088 B6R0.1 CCOC(=O)NN MCULE-9872948119 [1,1,0,0,0,0|2,0,0]=4 2089 B6R0.1 CCOC(=O)NO MCULE-4701193610 [1,1,0,0,0,0|1,0,0]=3 2090 B6R0.1 CCOC(=O)OC MCULE-1185162684 [1,1,0,0,0,0|1,0,0]=3 2091 B6R0.1 CCSC(=O)CC MCULE-6361738004 [1,1,0,0,0,0|2,0,0]=4 2092 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [1,1,0,0,0,0|2,0,0]=4 2093 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [1,1,0,0,0,0|2,0,0]=4 2094 B6R0.1 CNC(=O)CCN MCULE-1374127264 [1,1,0,0,0,0|2,0,0]=4 2095 B6R0.1 CNC(=O)CCN MCULE-3948893656 [1,1,0,0,0,0|2,0,0]=4 2096 B6R0.1 CNC(=O)CCO MCULE-3222339741 [1,1,0,0,0,0|1,1,0]=4 2097 B6R0.1 CNC(=O)CCS MCULE-2385806944 [1,1,0,0,0,0|1,0,0]=3 2098 B6R0.1 CNCC(=O)NC MCULE-4579550577 [1,1,0,0,0,0|2,0,0]=4 2099 B6R0.1 CNCC(=O)NC MCULE-7833395637 [1,1,0,0,0,0|2,0,0]=4 2100 B6R0.1 CNCC(=O)NN MCULE-8639164023 [1,1,0,0,0,0|2,0,0]=4 2101 B6R0.1 CNCC(=O)OC MCULE-1667683926 [1,1,0,0,0,0|1,0,0]=3 2102 B6R0.1 CNCC(=O)OC MCULE-5530863658 [1,1,0,0,0,0|1,0,0]=3 2103 B6R0.1 CNNC(=O)OC MCULE-4763095719 [1,1,0,0,0,0|2,0,0]=4 2104 B6R0.1 COC(=N)CCCl MCULE-1997539408 [1,1,0,0,0,0|2,0,0]=4 2105 B6R0.1 COC(=N)CCCl MCULE-2235564076 [1,1,0,0,0,0|2,0,0]=4 2106 B6R0.1 COC(=N)CCO MCULE-1904978557 [1,1,0,0,0,0|1,1,0]=4 2107 B6R0.1 COC(=N)CCO MCULE-8146089973 [1,1,0,0,0,0|1,1,0]=4 2108 B6R0.1 COC(=O)CC#N MCULE-2699345092 [1,1,0,0,0,0|1,0,1]=4 2109 B6R0.1 COC(=O)CC=O MCULE-6624474559 [1,1,0,0,0,0|0,1,1]=4 2110 B6R0.1 COC(=O)CCBr MCULE-3565567444 [1,1,0,0,0,0|1,0,0]=3 2111 B6R0.1 COC(=O)CCCl MCULE-5034007224 [1,1,0,0,0,0|1,0,0]=3 2112 B6R0.1 COC(=O)CCI MCULE-5984806612 [1,1,0,0,0,0|1,0,0]=3 2113 B6R0.1 COC(=O)CCN MCULE-2306060188 [1,1,0,0,0,0|1,0,0]=3 2114 B6R0.1 COC(=O)CCN MCULE-8245275833 [1,1,0,0,0,0|1,0,0]=3 2115 B6R0.1 COC(=O)CCO MCULE-8538834260 [1,1,0,0,0,0|0,1,0]=3 2116 B6R0.1 COC(=O)CCS MCULE-1695345183 [1,1,0,0,0,0|0,0,0]=2 2117 B6R0.1 COC(=O)CNN MCULE-3287579794 [1,1,0,0,0,0|2,0,0]=4 2118 B6R0.1 COC(=O)CNN MCULE-3838874166 [1,1,0,0,0,0|2,0,0]=4 2119 B6R0.1 COC(=O)CON MCULE-4799038238 [1,1,0,0,0,0|1,1,0]=4 2120 B6R0.1 COC(=O)CSC MCULE-6735536033 [1,1,0,0,0,0|0,0,0]=2 2121 B6R0.1 COC(=O)OCCl MCULE-7856529986 [1,1,0,0,0,0|2,0,0]=4 2122 B6R0.1 COC(=O)OCF MCULE-4705008675 [1,1,0,0,0,0|2,0,0]=4 2123 B6R0.1 COC(=O)OCI MCULE-8692720175 [1,1,0,0,0,0|2,0,0]=4 2124 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [1,1,0,0,0,0|1,1,0]=4 2125 B6R0.1 COCC(=N)OC MCULE-2350779439 [1,1,0,0,0,0|1,1,0]=4 2126 B6R0.1 COCC(=N)OC MCULE-7810421458 [1,1,0,0,0,0|1,1,0]=4 2127 B6R0.1 COCC(=O)CCl MCULE-7542636020 [1,1,0,0,0,0|1,1,0]=4 2128 B6R0.1 COCC(=O)NN MCULE-4127487886 [1,1,0,0,0,0|1,1,0]=4 2129 B6R0.1 COCC(=O)OC MCULE-8337685268 [1,1,0,0,0,0|0,1,0]=3 2130 B6R0.1 CONC(=O)OC MCULE-9304532248 [1,1,0,0,0,0|1,1,0]=4 2131 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [1,1,0,0,0,0|1,0,0]=3 2132 B6R0.1 CSCC(=O)NN MCULE-8151954663 [1,1,0,0,0,0|1,0,0]=3 2133 B6R0.1 CSCC(C)CO MCULE-3842820579 [1,1,0,0,0,0|1,0,1]=4 2134 B6R0.1 CSCC(O)CO MCULE-6573013078 [1,1,0,0,0,0|0,0,2]=4 2135 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [1,1,0,0,0,0|1,1,0]=4 2136 B6R0.1 N=C(CCCl)NO MCULE-1713601074 [1,1,0,0,0,0|2,0,0]=4 2137 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [1,1,0,0,0,0|2,0,0]=4 2138 B6R0.1 NCCC(=O)CN MCULE-3906468943 [1,1,0,0,0,0|2,0,0]=4 2139 B6R0.1 NCCC(=O)CN MCULE-9593243702 [1,1,0,0,0,0|2,0,0]=4 2140 B6R0.1 NNC(=O)CCO MCULE-6184351353 [1,1,0,0,0,0|1,1,0]=4 2141 B6R0.1 NNC(=O)CCS MCULE-9322963076 [1,1,0,0,0,0|1,0,0]=3 2142 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [1,1,0,0,0,0|1,0,0]=3 2143 B6R0.1 O=C(CCl)CCCl MCULE-6460902474 [1,1,0,0,0,0|2,0,0]=4 2144 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [1,1,0,0,0,0|1,0,1]=4 2145 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [1,1,0,0,0,0|0,0,1]=3 2146 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [1,1,0,0,0,0|2,0,0]=4 2147 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [1,1,0,0,0,0|2,0,0]=4 2148 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [1,1,0,0,0,0|2,0,0]=4 2149 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [1,1,0,0,0,0|0,0,2]=4 2150 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [1,1,0,0,0,0|0,0,2]=4 2151 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [1,1,0,0,0,0|0,0,2]=4 2152 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [1,1,0,0,0,0|0,0,2]=4 2153 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [1,1,0,0,0,0|0,0,2]=4 2154 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [1,1,0,0,0,0|1,0,1]=4 2155 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [1,1,0,0,0,0|1,0,1]=4 2156 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [1,1,0,0,0,0|1,0,1]=4 2157 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [1,1,0,0,0,0|0,0,1]=3 2158 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [1,1,0,0,0,0|0,0,2]=4 2159 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [1,1,0,0,0,0|0,0,2]=4 2160 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [1,1,0,0,0,0|1,0,0]=3 2161 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [1,1,0,0,0,0|1,0,0]=3 2162 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [1,1,0,0,0,0|1,0,0]=3 2163 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [1,1,0,0,0,0|1,0,0]=3 2164 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [1,1,0,0,0,0|2,0,0]=4 2165 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [1,1,0,0,0,0|1,0,0]=3 2166 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [1,1,0,0,0,0|1,0,0]=3 2167 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [1,1,0,0,0,0|2,0,0]=4 2168 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [1,1,0,0,0,0|2,0,0]=4 2169 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [1,1,0,0,0,0|2,0,0]=4 2170 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [1,1,0,0,0,0|2,0,0]=4 2171 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [1,1,0,0,0,0|0,0,0]=2 2172 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [1,1,0,0,0,0|1,1,0]=4 2173 B6R0.2 CC(C)CB(O)O MCULE-9748327681 [1,1,0,0,0,0|1,0,1]=4 2174 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [1,1,0,0,0,0|2,0,0]=4 2175 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [1,1,0,0,0,0|2,0,0]=4 2176 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [1,1,0,0,0,0|2,0,0]=4 2177 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [1,1,0,0,0,0|1,0,0]=3 2178 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [1,1,0,0,0,0|1,0,0]=3 2179 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [1,1,0,0,0,0|0,0,0]=2 2180 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [1,1,0,0,0,0|1,1,0]=4 2181 B6R0.2 CC(C)CC(C)O MCULE-9223768698 [1,1,0,0,0,0|1,0,1]=4 2182 B6R0.2 CC(C)CN(=O)=O MCULE-1357840093 [1,1,0,0,0,0|1,0,1]=4 2183 B6R0.2 CC(C)CS(=O)[O-] MCULE-3716652382 [1,1,0,0,0,0|1,0,1]=4 2184 B6R0.2 CC(C)CS(=O)[O-] MCULE-7111094918 [1,1,0,0,0,0|1,0,1]=4 2185 B6R0.2 CC(C)C[C@@H](C)O MCULE-3150675602 [1,1,0,0,0,0|1,0,1]=4 2186 B6R0.2 CC(C)C[C@@H](C)O MCULE-4011042896 [1,1,0,0,0,0|1,0,1]=4 2187 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [1,1,0,0,0,0|2,0,0]=4 2188 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [1,1,0,0,0,0|2,0,0]=4 2189 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [1,1,0,0,0,0|2,0,0]=4 2190 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [1,1,0,0,0,0|2,0,0]=4 2191 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [1,1,0,0,0,0|1,0,0]=3 2192 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [1,1,0,0,0,0|0,0,0]=2 2193 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [1,1,0,0,0,0|2,0,0]=4 2194 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [1,1,0,0,0,0|0,0,0]=2 2195 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [1,1,0,0,0,0|1,0,0]=3 2196 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [1,1,0,0,0,0|1,0,0]=3 2197 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [1,1,0,0,0,0|0,0,0]=2 2198 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [1,1,0,0,0,0|0,0,0]=2 2199 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [1,1,0,0,0,0|0,0,0]=2 2200 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [1,1,0,0,0,0|0,0,0]=2 2201 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [1,1,0,0,0,0|1,0,1]=4 2202 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [1,1,0,0,0,0|2,0,0]=4 2203 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [1,1,0,0,0,0|1,0,0]=3 2204 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [1,1,0,0,0,0|0,0,0]=2 2205 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [1,1,0,0,0,0|0,0,0]=2 2206 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [1,1,0,0,0,0|0,0,1]=3 2207 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [1,1,0,0,0,0|0,0,1]=3 2208 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [1,1,0,0,0,0|1,0,1]=4 2209 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [1,1,0,0,0,0|1,0,1]=4 2210 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [1,1,0,0,0,0|2,0,0]=4 2211 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [1,1,0,0,0,0|2,0,0]=4 2212 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [1,1,0,0,0,0|2,0,0]=4 2213 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [1,1,0,0,0,0|2,0,0]=4 2214 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [1,1,0,0,0,0|1,0,0]=3 2215 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [1,1,0,0,0,0|1,0,0]=3 2216 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [1,1,0,0,0,0|1,0,1]=4 2217 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [1,1,0,0,0,0|0,0,0]=2 2218 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [1,1,0,0,0,0|0,0,0]=2 2219 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [1,1,0,0,0,0|0,0,0]=2 2220 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [1,1,0,0,0,0|0,0,0]=2 2221 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [1,1,0,0,0,0|0,0,0]=2 2222 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [1,1,0,0,0,0|0,0,0]=2 2223 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [1,1,0,0,0,0|0,0,1]=3 2224 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [1,1,0,0,0,0|0,0,1]=3 2225 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [1,1,0,0,0,0|1,0,1]=4 2226 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [1,1,0,0,0,0|1,0,1]=4 2227 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [1,1,0,0,0,0|1,0,1]=4 2228 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [1,1,0,0,0,0|0,0,0]=2 2229 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [1,1,0,0,0,0|0,0,0]=2 2230 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [1,1,0,0,0,0|0,0,0]=2 2231 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [1,1,0,0,0,0|0,0,0]=2 2232 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [1,1,0,0,0,0|0,0,0]=2 2233 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [1,1,0,0,0,0|0,0,0]=2 2234 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [1,1,0,0,0,0|0,0,0]=2 2235 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [1,1,0,0,0,0|0,0,0]=2 2236 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [1,1,0,0,0,0|0,0,1]=3 2237 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [1,1,0,0,0,0|0,0,1]=3 2238 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [1,1,0,0,0,0|1,0,1]=4 2239 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [1,1,0,0,0,0|1,0,1]=4 2240 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [1,1,0,0,0,0|0,0,2]=4 2241 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [1,1,0,0,0,0|0,0,2]=4 2242 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [1,1,0,0,0,0|0,1,1]=4 2243 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [1,1,0,0,0,0|1,0,0]=3 2244 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [1,1,0,0,0,0|1,0,0]=3 2245 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [1,1,0,0,0,0|1,1,0]=4 2246 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [1,1,0,0,0,0|0,1,1]=4 2247 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [1,1,0,0,0,0|1,0,0]=3 2248 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [1,1,0,0,0,0|1,1,0]=4 2249 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [1,1,0,0,0,0|0,0,2]=4 2250 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [1,1,0,0,0,0|0,1,0]=3 2251 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [1,1,0,0,0,0|1,1,0]=4 2252 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [1,1,0,0,0,0|1,1,0]=4 2253 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [1,1,0,0,0,0|0,0,2]=4 2254 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [1,1,0,0,0,0|0,0,2]=4 2255 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [1,1,0,0,0,0|0,0,2]=4 2256 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [1,1,0,0,0,0|0,0,2]=4 2257 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [1,1,0,0,0,0|2,0,0]=4 2258 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [1,1,0,0,0,0|1,0,1]=4 2259 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [1,1,0,0,0,0|0,0,1]=3 2260 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [1,1,0,0,0,0|0,1,1]=4 2261 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [1,1,0,0,0,0|0,1,1]=4 2262 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [1,1,0,0,0,0|0,0,2]=4 2263 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [1,1,0,0,0,0|0,0,2]=4 2264 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [1,1,0,0,0,0|0,0,2]=4 2265 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [1,1,0,0,0,0|0,0,2]=4 2266 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [1,1,0,0,0,0|0,0,2]=4 2267 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [1,1,0,0,0,0|0,0,2]=4 2268 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [1,1,0,0,0,0|0,0,2]=4 2269 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [1,1,0,0,0,0|0,0,2]=4 2270 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [1,1,0,0,0,0|0,0,2]=4 2271 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [1,1,0,0,0,0|0,0,2]=4 2272 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [1,1,0,0,0,0|0,0,2]=4 2273 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [1,1,0,0,0,0|0,0,2]=4 2274 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [1,1,0,0,0,0|0,0,2]=4 2275 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [1,1,0,0,0,0|0,0,2]=4 2276 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [1,1,0,0,0,0|0,0,2]=4 2277 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [1,1,0,0,0,0|0,0,2]=4 2278 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [1,1,0,0,0,0|0,0,2]=4 2279 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [1,1,0,0,0,0|1,1,0]=4 2280 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [1,1,0,0,0,0|1,1,0]=4 2281 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [1,1,0,0,0,0|1,1,0]=4 2282 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [1,1,0,0,0,0|1,0,1]=4 2283 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [1,1,0,0,0,0|1,0,0]=3 2284 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [1,1,0,0,0,0|1,0,0]=3 2285 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [1,1,0,0,0,0|1,0,0]=3 2286 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [1,1,0,0,0,0|1,0,0]=3 2287 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [1,1,0,0,0,0|0,1,0]=3 2288 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [1,1,0,0,0,0|0,1,1]=4 2289 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [1,1,0,0,0,0|0,0,0]=2 2290 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [1,1,0,0,0,0|1,1,0]=4 2291 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [1,1,0,0,0,0|1,1,0]=4 2292 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [1,1,0,0,0,0|1,1,0]=4 2293 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [1,1,0,0,0,0|1,1,0]=4 2294 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [1,1,0,0,0,0|0,0,2]=4 2295 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [1,1,0,0,0,0|0,0,2]=4 2296 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [1,1,0,0,0,0|0,0,2]=4 2297 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [1,1,0,0,0,0|0,0,2]=4 2298 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [1,1,0,0,0,0|0,0,2]=4 2299 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [1,1,0,0,0,0|1,0,1]=4 2300 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [1,1,0,0,0,0|0,0,1]=3 2301 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [1,1,0,0,0,0|0,0,2]=4 2302 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [1,1,0,0,0,0|1,0,0]=3 2303 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [1,1,0,0,0,0|1,0,0]=3 2304 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [1,1,0,0,0,0|1,0,0]=3 2305 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [1,1,0,0,0,0|1,0,0]=3 2306 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [1,1,0,0,0,0|0,0,0]=2 2307 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [1,1,0,0,0,0|1,0,1]=4 2308 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [1,1,0,0,0,0|2,0,0]=4 2309 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [1,1,0,0,0,0|2,0,0]=4 2310 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [1,1,0,0,0,0|1,0,0]=3 2311 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [1,1,0,0,0,0|1,0,0]=3 2312 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [1,1,0,0,0,0|1,0,0]=3 2313 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [1,1,0,0,0,0|0,0,0]=2 2314 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [1,1,0,0,0,0|0,0,0]=2 2315 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [1,1,0,0,0,0|1,1,0]=4 2316 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [1,1,0,0,0,0|1,0,1]=4 2317 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [1,1,0,0,0,0|1,0,0]=3 2318 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [1,1,0,0,0,0|1,0,0]=3 2319 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [1,1,0,0,0,0|0,0,0]=2 2320 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [1,1,0,0,0,0|0,0,0]=2 2321 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [1,1,0,0,0,0|1,0,0]=3 2322 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [1,1,0,0,0,0|1,0,0]=3 2323 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [1,1,0,0,0,0|1,0,0]=3 2324 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [1,1,0,0,0,0|1,0,0]=3 2325 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [1,1,0,0,0,0|0,0,0]=2 2326 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [1,1,0,0,0,0|0,0,0]=2 2327 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [1,1,0,0,0,0|0,0,0]=2 2328 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [1,1,0,0,0,0|0,0,0]=2 2329 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [1,1,0,0,0,0|1,0,1]=4 2330 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [1,1,0,0,0,0|1,0,1]=4 2331 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [1,1,0,0,0,0|1,0,0]=3 2332 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [1,1,0,0,0,0|0,0,0]=2 2333 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [1,1,0,0,0,0|0,0,0]=2 2334 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [1,1,0,0,0,0|0,0,1]=3 2335 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [1,1,0,0,0,0|0,0,1]=3 2336 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [1,1,0,0,0,0|1,0,1]=4 2337 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [1,1,0,0,0,0|1,0,0]=3 2338 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [1,1,0,0,0,0|0,0,0]=2 2339 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [1,1,0,0,0,0|2,0,0]=4 2340 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [1,1,0,0,0,0|2,0,0]=4 2341 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [1,1,0,0,0,0|2,0,0]=4 2342 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [1,1,0,0,0,0|2,0,0]=4 2343 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [1,1,0,0,0,0|0,0,0]=2 2344 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [1,1,0,0,0,0|0,0,0]=2 2345 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [1,1,0,0,0,0|1,0,0]=3 2346 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [1,1,0,0,0,0|1,0,0]=3 2347 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [1,1,0,0,0,0|0,0,0]=2 2348 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [1,1,0,0,0,0|0,0,0]=2 2349 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [1,1,0,0,0,0|0,0,0]=2 2350 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [1,1,0,0,0,0|0,0,0]=2 2351 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [1,1,0,0,0,0|1,0,0]=3 2352 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [1,1,0,0,0,0|1,0,0]=3 2353 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [1,1,0,0,0,0|1,0,0]=3 2354 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [1,1,0,0,0,0|1,0,0]=3 2355 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [1,1,0,0,0,0|0,0,0]=2 2356 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [1,1,0,0,0,0|0,0,0]=2 2357 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [1,1,0,0,0,0|0,0,0]=2 2358 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [1,1,0,0,0,0|0,0,0]=2 2359 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [1,1,0,0,0,0|1,0,1]=4 2360 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [1,1,0,0,0,0|1,0,1]=4 2361 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [1,1,0,0,0,0|0,0,0]=2 2362 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [1,1,0,0,0,0|0,0,0]=2 2363 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [1,1,0,0,0,0|0,0,0]=2 2364 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [1,1,0,0,0,0|0,0,0]=2 2365 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [1,1,0,0,0,0|0,0,0]=2 2366 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [1,1,0,0,0,0|0,0,0]=2 2367 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [1,1,0,0,0,0|0,0,0]=2 2368 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [1,1,0,0,0,0|1,0,0]=3 2369 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [1,1,0,0,0,0|1,0,0]=3 2370 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [1,1,0,0,0,0|1,0,0]=3 2371 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [1,1,0,0,0,0|1,0,0]=3 2372 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [1,1,0,0,0,0|0,0,0]=2 2373 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [1,1,0,0,0,0|0,0,0]=2 2374 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [1,1,0,0,0,0|0,0,0]=2 2375 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [1,1,0,0,0,0|0,0,0]=2 2376 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [1,1,0,0,0,0|0,1,0]=3 2377 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [1,1,0,0,0,0|0,1,0]=3 2378 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [1,1,0,0,0,0|1,0,1]=4 2379 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [1,1,0,0,0,0|1,0,1]=4 2380 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [1,1,0,0,0,0|1,0,1]=4 2381 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [1,1,0,0,0,0|1,0,1]=4 2382 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [1,1,0,0,0,0|1,0,1]=4 2383 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [1,1,0,0,0,0|1,0,1]=4 2384 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [1,1,0,0,0,0|0,0,0]=2 2385 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [1,1,0,0,0,0|0,0,0]=2 2386 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [1,1,0,0,0,0|0,0,1]=3 2387 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [1,1,0,0,0,0|1,0,1]=4 2388 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [1,1,0,0,0,0|2,0,0]=4 2389 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [1,1,0,0,0,0|2,0,0]=4 2390 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [1,1,0,0,0,0|1,0,0]=3 2391 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [1,1,0,0,0,0|1,0,0]=3 2392 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [1,1,0,0,0,0|1,0,0]=3 2393 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [1,1,0,0,0,0|2,0,0]=4 2394 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [1,1,0,0,0,0|1,0,0]=3 2395 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [1,1,0,0,0,0|1,0,0]=3 2396 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [1,1,0,0,0,0|1,0,0]=3 2397 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [1,1,0,0,0,0|1,0,0]=3 2398 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [1,1,0,0,0,0|1,0,0]=3 2399 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [1,1,0,0,0,0|1,0,0]=3 2400 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [1,1,0,0,0,0|1,0,0]=3 2401 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [1,1,0,0,0,0|0,1,1]=4 2402 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [1,1,0,0,0,0|1,1,0]=4 2403 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [1,1,0,0,0,0|0,1,0]=3 2404 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [1,1,0,0,0,0|1,1,0]=4 2405 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [1,1,0,0,0,0|1,1,0]=4 2406 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [1,1,0,0,0,0|0,1,0]=3 2407 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [1,1,0,0,0,0|1,1,0]=4 2408 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [1,1,0,0,0,0|0,1,0]=3 2409 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [1,1,0,0,0,0|0,1,0]=3 2410 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [1,1,0,0,0,0|0,1,0]=3 2411 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [1,1,0,0,0,0|0,1,0]=3 2412 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [1,1,0,0,0,0|1,0,0]=3 2413 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [1,1,0,0,0,0|0,0,0]=2 2414 B6R0.3 CSC(C)C(C)O MCULE-9554880840 [1,1,0,0,0,0|1,0,1]=4 2415 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [1,1,0,0,0,0|1,0,0]=3 2416 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [1,1,0,0,0,0|1,0,0]=3 2417 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [1,1,0,0,0,0|1,0,0]=3 2418 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [1,1,0,0,0,0|1,0,0]=3 2419 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [1,1,0,0,0,0|0,1,0]=3 2420 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [1,1,0,0,0,0|0,1,0]=3 2421 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [1,1,0,0,0,0|1,1,0]=4 2422 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [1,1,0,0,0,0|1,1,0]=4 2423 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [1,1,0,0,0,0|1,0,0]=3 2424 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [1,1,0,0,0,0|1,0,0]=3 2425 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [1,1,0,0,0,0|1,0,0]=3 2426 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [1,1,0,0,0,0|1,0,0]=3 2427 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [1,1,0,0,0,0|0,1,0]=3 2428 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [1,1,0,0,0,0|0,1,0]=3 2429 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [1,1,0,0,0,0|0,1,1]=4 2430 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [1,1,0,0,0,0|1,1,0]=4 2431 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [1,1,0,0,0,0|1,1,0]=4 2432 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [1,1,0,0,0,0|2,0,0]=4 2433 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [1,1,0,0,0,0|2,0,0]=4 2434 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [1,1,0,0,0,0|1,1,0]=4 2435 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [1,1,0,0,0,0|1,1,0]=4 2436 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [1,1,0,0,0,0|1,0,0]=3 2437 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [1,1,0,0,0,0|1,0,0]=3 2438 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [1,1,0,0,0,0|1,1,0]=4 2439 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [1,1,0,0,0,0|1,1,0]=4 2440 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [1,1,0,0,0,0|1,1,0]=4 2441 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [1,1,0,0,0,0|1,0,0]=3 2442 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [1,1,0,0,0,0|1,1,0]=4 2443 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [1,1,0,0,0,0|1,1,0]=4 2444 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [1,1,0,0,0,0|1,1,0]=4 2445 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [1,1,0,0,0,0|1,1,0]=4 2446 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [1,1,0,0,0,0|1,0,0]=3 2447 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [1,1,0,0,0,0|1,0,0]=3 2448 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [1,1,0,0,0,0|1,0,0]=3 2449 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [1,1,0,0,0,0|1,0,0]=3 2450 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [1,1,0,0,0,0|0,1,0]=3 2451 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [1,1,0,0,0,0|0,1,0]=3 2452 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [1,1,0,0,0,0|0,0,0]=2 2453 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [1,1,0,0,0,0|0,0,0]=2 2454 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [1,1,0,0,0,0|0,0,0]=2 2455 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [1,1,0,0,0,0|0,0,0]=2 2456 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [1,1,0,0,0,0|1,0,0]=3 2457 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [1,1,0,0,0,0|1,0,0]=3 2458 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [1,1,0,0,0,0|1,0,0]=3 2459 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [1,1,0,0,0,0|1,0,0]=3 2460 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [1,1,0,0,0,0|1,0,0]=3 2461 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [1,1,0,0,0,0|1,0,0]=3 2462 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [1,1,0,0,0,0|1,0,0]=3 2463 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [1,1,0,0,0,0|1,0,0]=3 2464 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [1,1,0,0,0,0|1,0,0]=3 2465 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [1,1,0,0,0,0|2,0,0]=4 2466 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [1,1,0,0,0,0|2,0,0]=4 2467 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [1,1,0,0,0,0|1,0,0]=3 2468 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [1,1,0,0,0,0|1,0,0]=3 2469 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [1,1,0,0,0,0|1,0,0]=3 2470 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [1,1,0,0,0,0|1,0,0]=3 2471 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [1,1,0,0,0,0|1,0,0]=3 2472 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [1,1,0,0,0,0|1,0,0]=3 2473 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [1,1,0,0,0,0|1,0,0]=3 2474 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [1,1,0,0,0,0|1,0,0]=3 2475 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [1,1,0,0,0,0|1,0,0]=3 2476 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [1,1,0,0,0,0|1,0,0]=3 2477 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [1,1,0,0,0,0|1,0,0]=3 2478 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [1,1,0,0,0,0|1,0,0]=3 2479 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [1,1,0,0,0,0|1,0,0]=3 2480 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [1,1,0,0,0,0|1,0,0]=3 2481 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [1,1,0,0,0,0|1,0,0]=3 2482 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [1,1,0,0,0,0|1,0,0]=3 2483 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [1,1,0,0,0,0|1,0,0]=3 2484 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [1,1,0,0,0,0|1,0,0]=3 2485 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [1,1,0,0,0,0|1,0,0]=3 2486 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [1,1,0,0,0,0|1,0,0]=3 2487 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [1,1,0,0,0,0|1,0,0]=3 2488 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [1,1,0,0,0,0|1,0,0]=3 2489 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [1,1,0,0,0,0|1,0,0]=3 2490 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [1,1,0,0,0,0|1,0,0]=3 2491 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [1,1,0,0,0,0|1,0,0]=3 2492 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [1,1,0,0,0,0|1,0,0]=3 2493 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [1,1,0,0,0,0|1,0,0]=3 2494 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [1,1,0,0,0,0|0,1,0]=3 2495 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [1,1,0,0,0,0|0,1,0]=3 2496 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [1,1,0,0,0,0|0,1,0]=3 2497 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [1,1,0,0,0,0|0,1,0]=3 2498 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [1,1,0,0,0,0|0,0,0]=2 2499 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [1,1,0,0,0,0|0,0,0]=2 2500 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [1,1,0,0,0,0|0,0,0]=2 2501 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [1,1,0,0,0,0|0,0,0]=2 2502 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [1,1,0,0,0,0|1,0,0]=3 2503 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [1,1,0,0,0,0|1,0,0]=3 2504 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [1,1,0,0,0,0|1,0,0]=3 2505 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [1,1,0,0,0,0|1,0,0]=3 2506 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [1,1,0,0,0,0|1,0,0]=3 2507 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [1,1,0,0,0,0|1,0,0]=3 2508 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [1,1,0,0,0,0|0,1,0]=3 2509 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [1,1,0,0,0,0|0,1,0]=3 2510 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [1,1,0,0,0,0|0,0,0]=2 2511 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [1,1,0,0,0,0|0,0,0]=2 2512 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [1,1,0,0,0,0|0,0,0]=2 2513 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [1,1,0,0,0,0|0,0,0]=2 2514 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [1,1,0,0,0,0|2,0,0]=4 2515 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [1,1,0,0,0,0|2,0,0]=4 2516 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [1,1,0,0,0,0|1,0,1]=4 2517 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [1,1,0,0,0,0|1,0,1]=4 2518 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [1,1,0,0,0,0|1,0,1]=4 2519 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [1,1,0,0,0,0|0,1,1]=4 2520 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [1,1,0,0,0,0|0,0,1]=3 2521 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [1,1,0,0,0,0|1,0,0]=3 2522 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [1,1,0,0,0,0|1,0,0]=3 2523 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [1,1,0,0,0,0|0,1,0]=3 2524 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [1,1,0,0,0,0|1,0,0]=3 2525 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [1,1,0,0,0,0|0,1,0]=3 2526 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [1,1,0,0,0,0|1,0,0]=3 2527 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [1,1,0,0,0,0|1,0,0]=3 2528 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [1,1,0,0,0,0|1,0,0]=3 2529 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [1,1,0,0,0,0|0,1,0]=3 2530 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [1,1,0,0,0,0|0,1,0]=3 2531 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [1,1,0,0,0,0|0,1,0]=3 2532 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [1,1,0,0,0,0|1,0,0]=3 2533 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [1,1,0,0,0,0|0,1,0]=3 2534 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [1,1,0,0,0,0|0,1,0]=3 2535 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [1,1,0,0,0,0|0,1,0]=3 2536 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [1,1,0,0,0,0|0,1,0]=3 2537 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [1,1,0,0,0,0|1,0,0]=3 2538 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [1,1,0,0,0,0|0,0,2]=4 2539 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [1,1,0,0,0,0|0,1,1]=4 2540 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [1,1,0,0,0,0|0,0,2]=4 2541 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [1,1,0,0,0,0|1,0,0]=3 2542 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [1,1,0,0,0,0|1,0,0]=3 2543 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [1,1,0,0,0,0|1,1,0]=4 2544 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [1,1,0,0,0,0|0,0,0]=2 2545 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [1,1,0,0,0,0|0,1,0]=3 2546 B6R0.5 CC(C)(O)CCS MCULE-5161173776 [1,1,0,0,0,0|1,0,1]=4 2547 B6R0.5 CCCC(C)(C)O MCULE-2647276101 [1,1,0,0,0,0|1,0,1]=4 2548 B6R0.5 CCCP(=O)(O)O MCULE-3928382731 [1,1,0,0,0,0|1,0,0]=3 2549 B6R0.5 CCCS(=O)(=O)Cl MCULE-4980552385 [1,1,0,0,0,0|1,0,1]=4 2550 B6R0.5 CCCS(=O)(=O)F MCULE-7811564151 [1,1,0,0,0,0|1,0,1]=4 2551 B6R0.5 CCCS(=O)(=O)N MCULE-1554874611 [1,1,0,0,0,0|1,0,1]=4 2552 B6R0.5 CCCS(=O)(=O)O MCULE-5213264344 [1,1,0,0,0,0|1,0,0]=3 2553 B6R0.5 CCCS(=O)(=O)[O-] MCULE-5970988364 [1,1,0,0,0,0|1,0,1]=4 2554 B6R0.5 CCNS(=O)(=O)O MCULE-8674266317 [1,1,0,0,0,0|2,0,0]=4 2555 B6R0.5 CNCP(=O)(O)O MCULE-6684762988 [1,1,0,0,0,0|2,0,0]=4 2556 B6R0.5 CS(=O)(=O)CCS MCULE-9115674422 [1,1,0,0,0,0|1,0,1]=4 2557 B6R0.5 NCCP(=O)(O)O MCULE-6030069631 [1,1,0,0,0,0|2,0,0]=4 2558 B6R0.5 NCCP(=O)(O)O MCULE-7710471805 [1,1,0,0,0,0|2,0,0]=4 2559 B6R0.5 NCCS(=O)(=O)O MCULE-6041857208 [1,1,0,0,0,0|2,0,0]=4 2560 B6R0.5 O=P(O)(O)CCBr MCULE-3355549967 [1,1,0,0,0,0|2,0,0]=4 2561 B6R0.5 O=P(O)(O)CCCl MCULE-4131416773 [1,1,0,0,0,0|2,0,0]=4 2562 B6R0.5 O=P(O)(O)CCO MCULE-9752100956 [1,1,0,0,0,0|1,1,0]=4 2563 B6R0.5 O=S(=O)(O)CCBr MCULE-3291252302 [1,1,0,0,0,0|2,0,0]=4 2564 B6R0.5 O=S(=O)(O)CCCl MCULE-9043359543 [1,1,0,0,0,0|2,0,0]=4 2565 B6R0.5 O=S(=O)(O)CCO MCULE-8075949368 [1,1,0,0,0,0|1,1,0]=4 2566 B6R0.5 O=S(=O)(O)CCS MCULE-1073050356 [1,1,0,0,0,0|1,0,0]=3 2567 B6R0.5 O=S(=O)([O-])CCS MCULE-7089816613 [1,1,0,0,0,0|1,0,1]=4 2568 B6R0.6 C#CCCCC=O MCULE-4075029417 [1,1,0,0,0,0|1,0,1]=4 2569 B6R0.6 C#CCCSCC MCULE-1094584940 [1,1,0,0,0,0|1,0,1]=4 2570 B6R0.6 C(=C/CCC)\CO MCULE-6491762150 [1,1,0,0,0,0|1,0,1]=4 2571 B6R0.6 C/C=C/CCCC MCULE-6900331316 [1,1,0,0,0,0|2,0,0]=4 2572 B6R0.6 C/C=C/CCCO MCULE-9865436125 [1,1,0,0,0,0|1,0,1]=4 2573 B6R0.6 C/C=C\CCCC MCULE-8426867799 [1,1,0,0,0,0|2,0,0]=4 2574 B6R0.6 C/C=C\CCCO MCULE-3169839661 [1,1,0,0,0,0|1,0,1]=4 2575 B6R0.6 C=CCC/C=C/C MCULE-3936427871 [1,1,0,0,0,0|2,0,0]=4 2576 B6R0.6 C=CCCC=CC MCULE-6481809840 [1,1,0,0,0,0|2,0,0]=4 2577 B6R0.6 C=CCCCC=O MCULE-8676840281 [1,1,0,0,0,0|1,0,1]=4 2578 B6R0.6 C=CCCCCBr MCULE-4313298656 [1,1,0,0,0,0|2,0,0]=4 2579 B6R0.6 C=CCCCCC MCULE-5868303078 [1,1,0,0,0,0|2,0,0]=4 2580 B6R0.6 C=CCCCCCl MCULE-7600727876 [1,1,0,0,0,0|2,0,0]=4 2581 B6R0.6 C=CCCCCI MCULE-5694143061 [1,1,0,0,0,0|2,0,0]=4 2582 B6R0.6 C=CCCCCN MCULE-1489231988 [1,1,0,0,0,0|2,0,0]=4 2583 B6R0.6 C=CCCCCN MCULE-4288584778 [1,1,0,0,0,0|2,0,0]=4 2584 B6R0.6 C=CCCCCO MCULE-3631432277 [1,1,0,0,0,0|2,0,0]=4 2585 B6R0.6 C=CCCCNC MCULE-6696525157 [1,1,0,0,0,0|2,0,0]=4 2586 B6R0.6 C=CCCCNC MCULE-7417274044 [1,1,0,0,0,0|2,0,0]=4 2587 B6R0.6 C=CCNCCC MCULE-4239068147 [1,1,0,0,0,0|2,0,0]=4 2588 B6R0.6 C=CCNCCC MCULE-9778489216 [1,1,0,0,0,0|2,0,0]=4 2589 B6R0.6 C=CCOCC=O MCULE-8507800253 [1,1,0,0,0,0|1,0,1]=4 2590 B6R0.6 C=CCOCOC MCULE-6553342654 [1,1,0,0,0,0|1,1,0]=4 2591 B6R0.6 C=CCSCCC MCULE-3855352363 [1,1,0,0,0,0|2,0,0]=4 2592 B6R0.6 C=COCCCC MCULE-2025922328 [1,1,0,0,0,0|2,0,0]=4 2593 B6R0.6 C=COCCOC MCULE-6845218696 [1,1,0,0,0,0|1,1,0]=4 2594 B6R0.6 CC#CCCCO MCULE-6502564684 [1,1,0,0,0,0|1,0,1]=4 2595 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [1,1,0,0,0,0|1,0,1]=4 2596 B6R0.6 CC=CCCCC MCULE-7277981733 [1,1,0,0,0,0|2,0,0]=4 2597 B6R0.6 CC=CCCCO MCULE-1401303632 [1,1,0,0,0,0|1,0,1]=4 2598 B6R0.6 CCC#CCC=O MCULE-4049790039 [1,1,0,0,0,0|1,0,1]=4 2599 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [1,1,0,0,0,0|1,0,1]=4 2600 B6R0.6 CCC=CCC=O MCULE-5764198290 [1,1,0,0,0,0|1,0,1]=4 2601 B6R0.6 CCCC=CC=O MCULE-5273169296 [1,1,0,0,0,0|1,0,1]=4 2602 B6R0.6 CCCC=CCO MCULE-3204738641 [1,1,0,0,0,0|1,0,1]=4 2603 B6R0.6 CCCCCC=O MCULE-6770578514 [1,1,0,0,0,0|1,0,0]=3 2604 B6R0.6 CCCCCCO MCULE-4299150163 [1,1,0,0,0,0|1,0,1]=4 2605 B6R0.6 CCCCCOC MCULE-3370181741 [1,1,0,0,0,0|1,0,1]=4 2606 B6R0.6 CCCCCON MCULE-5372426564 [1,1,0,0,0,0|1,0,1]=4 2607 B6R0.6 CCCCCON MCULE-8557641459 [1,1,0,0,0,0|1,0,1]=4 2608 B6R0.6 CCCCCSC MCULE-6566108868 [1,1,0,0,0,0|1,0,1]=4 2609 B6R0.6 CCCCN=C=O MCULE-3381327717 [1,1,0,0,0,0|1,0,1]=4 2610 B6R0.6 CCCCNC=O MCULE-8821792924 [1,1,0,0,0,0|1,0,0]=3 2611 B6R0.6 CCCCNOC MCULE-4265481432 [1,1,0,0,0,0|2,0,0]=4 2612 B6R0.6 CCCCOC=O MCULE-4633421026 [1,1,0,0,0,0|1,0,0]=3 2613 B6R0.6 CCCCON=O MCULE-9992790020 [1,1,0,0,0,0|2,0,0]=4 2614 B6R0.6 CCCCSCC MCULE-4832924468 [1,1,0,0,0,0|1,0,1]=4 2615 B6R0.6 CCCCSCCl MCULE-4907770015 [1,1,0,0,0,0|1,0,1]=4 2616 B6R0.6 CCCNCCO MCULE-4813687741 [1,1,0,0,0,0|1,0,1]=4 2617 B6R0.6 CCCOCCO MCULE-3263526264 [1,1,0,0,0,0|1,0,1]=4 2618 B6R0.6 CCCSCCO MCULE-8371796663 [1,1,0,0,0,0|1,0,1]=4 2619 B6R0.6 CCNCCCO MCULE-3251610052 [1,1,0,0,0,0|1,0,1]=4 2620 B6R0.6 CCNCCSC MCULE-1736157320 [1,1,0,0,0,0|1,0,1]=4 2621 B6R0.6 CCNCCSC MCULE-9369049891 [1,1,0,0,0,0|1,0,1]=4 2622 B6R0.6 CCOCCC=O MCULE-1664130148 [1,1,0,0,0,0|0,1,0]=3 2623 B6R0.6 CCOCCCO MCULE-3077567484 [1,1,0,0,0,0|0,1,1]=4 2624 B6R0.6 CCSCCC=O MCULE-2493452950 [1,1,0,0,0,0|0,0,0]=2 2625 B6R0.6 CCSCCCBr MCULE-5143634954 [1,1,0,0,0,0|1,0,1]=4 2626 B6R0.6 CCSCCCN MCULE-4566450606 [1,1,0,0,0,0|1,0,1]=4 2627 B6R0.6 CCSCCCO MCULE-6719011943 [1,1,0,0,0,0|0,0,1]=3 2628 B6R0.6 CCSCCNC MCULE-6159594076 [1,1,0,0,0,0|2,0,0]=4 2629 B6R0.6 CCSCCNC MCULE-6696154047 [1,1,0,0,0,0|2,0,0]=4 2630 B6R0.6 CNCCCCO MCULE-9264393637 [1,1,0,0,0,0|1,0,1]=4 2631 B6R0.6 CNCCCOC MCULE-4057126907 [1,1,0,0,0,0|1,0,1]=4 2632 B6R0.6 CNCCCOC MCULE-8552551858 [1,1,0,0,0,0|1,0,1]=4 2633 B6R0.6 CNCCCSC MCULE-6553998750 [1,1,0,0,0,0|1,0,1]=4 2634 B6R0.6 COCCCC=O MCULE-2055914202 [1,1,0,0,0,0|0,1,0]=3 2635 B6R0.6 COCCCCO MCULE-2543196930 [1,1,0,0,0,0|0,1,1]=4 2636 B6R0.6 COCCCCO MCULE-8659106280 [1,1,0,0,0,0|0,1,1]=4 2637 B6R0.6 COCCCOC MCULE-5003816236 [1,1,0,0,0,0|0,1,1]=4 2638 B6R0.6 COCCCON MCULE-3859091617 [1,1,0,0,0,0|0,1,1]=4 2639 B6R0.6 COCCCON MCULE-4419390097 [1,1,0,0,0,0|0,1,1]=4 2640 B6R0.6 COCCN=C=O MCULE-7139432642 [1,1,0,0,0,0|0,1,1]=4 2641 B6R0.6 COCCNC=O MCULE-9003279073 [1,1,0,0,0,0|0,1,0]=3 2642 B6R0.6 COCOCCO MCULE-8093241209 [1,1,0,0,0,0|0,1,1]=4 2643 B6R0.6 CSCCCC=O MCULE-6353729217 [1,1,0,0,0,0|0,0,0]=2 2644 B6R0.6 CSCCCCN MCULE-2391033479 [1,1,0,0,0,0|1,0,1]=4 2645 B6R0.6 CSCCCCO MCULE-1045422424 [1,1,0,0,0,0|0,0,1]=3 2646 B6R0.6 CSCCCON MCULE-2543326517 [1,1,0,0,0,0|0,0,1]=3 2647 B6R0.6 CSCCCSC MCULE-6993538101 [1,1,0,0,0,0|0,1,1]=4 2648 B6R0.6 CSCCN=C=O MCULE-4217751051 [1,1,0,0,0,0|0,0,1]=3 2649 B6R0.6 CSCCN=C=S MCULE-4977130724 [1,1,0,0,0,0|0,1,1]=4 2650 B6R0.6 CSCCN=N#N MCULE-6952720817 [1,1,0,0,0,0|2,0,0]=4 2651 B6R0.6 NCCCCCO MCULE-8877250712 [1,1,0,0,0,0|1,0,1]=4 2652 B6R0.6 NCCCCNO MCULE-6478748569 [1,1,0,0,0,0|2,0,0]=4 2653 B6R0.6 NCCCNC=O MCULE-9651299205 [1,1,0,0,0,0|2,0,0]=4 2654 B6R0.6 O=CCCCC=O MCULE-6802048757 [1,1,0,0,0,0|1,0,1]=4 2655 B6R0.6 O=CCCCCCl MCULE-1257670284 [1,1,0,0,0,0|1,0,0]=3 2656 B6R0.6 O=CCCCCO MCULE-7959082228 [1,1,0,0,0,0|1,0,0]=3 2657 B6R0.6 O=CNCCCO MCULE-7926485528 [1,1,0,0,0,0|2,0,0]=4 2658 B6R0.6 OCCCCCBr MCULE-1444733196 [1,1,0,0,0,0|1,0,1]=4 2659 B6R0.6 OCCCCCCl MCULE-5666058059 [1,1,0,0,0,0|1,0,1]=4 2660 B6R0.6 OCCCCCF MCULE-9253204275 [1,1,0,0,0,0|1,0,1]=4 2661 B6R0.6 OCCCCCI MCULE-8707758496 [1,1,0,0,0,0|1,0,1]=4 2662 B6R0.6 OCCCCCO MCULE-1044076048 [1,1,0,0,0,0|1,0,1]=4 2663 B8R0.2 C=CC(C)C(C)C(=O)O MCULE-6762624939 [0,2,0,0,0,0|1,0,1]=4 2664 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,2,0,0,0,0|1,0,1]=4 2665 B8R0.2 CCC(C)C(=O)C(=O)O MCULE-2376245949 [0,2,0,0,0,0|1,0,1]=4 2666 B8R0.2 CCC(C)C(Br)C(=O)O MCULE-1124609284 [0,2,0,0,0,0|1,0,0]=3 2667 B8R0.2 CCC(C)C(C)C(=O)C MCULE-4030096724 [0,2,0,0,0,0|2,0,0]=4 2668 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [0,2,0,0,0,0|1,0,0]=3 2669 B8R0.2 CCC(C)C(N)C(=O)N MCULE-7314175276 [0,2,0,0,0,0|2,0,0]=4 2670 B8R0.2 CCC(C)C(N)C(=O)N MCULE-8895055670 [0,2,0,0,0,0|2,0,0]=4 2671 B8R0.2 CCC(C)C(N)C(=O)O MCULE-9861955295 [0,2,0,0,0,0|1,0,0]=3 2672 B8R0.2 CCC(C)C(O)C(=O)N MCULE-2649023234 [0,2,0,0,0,0|2,0,0]=4 2673 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [0,2,0,0,0,0|1,0,0]=3 2674 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [0,2,0,0,0,0|1,0,0]=3 2675 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [0,2,0,0,0,0|1,0,0]=3 2676 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [0,2,0,0,0,0|1,0,0]=3 2677 B8R0.2 CCN(C)C(C)C(=O)O MCULE-6064336068 [0,2,0,0,0,0|2,0,0]=4 2678 B8R0.2 CCN(C)[C@@H](C)C(=O)O MCULE-9158211664 [0,2,0,0,0,0|2,0,0]=4 2679 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-1413119398 [0,2,0,0,0,0|1,0,0]=3 2680 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-5186925599 [0,2,0,0,0,0|1,0,0]=3 2681 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O MCULE-5041492133 [0,2,0,0,0,0|1,0,0]=3 2682 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-2706440971 [0,2,0,0,0,0|1,0,0]=3 2683 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-8101207882 [0,2,0,0,0,0|1,0,0]=3 2684 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [0,2,0,0,0,0|1,0,0]=3 2685 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [0,2,0,0,0,0|1,0,0]=3 2686 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [0,2,0,0,0,0|1,0,0]=3 2687 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [0,2,0,0,0,0|1,0,0]=3 2688 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1200159118 [0,2,0,0,0,0|1,0,0]=3 2689 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1359318144 [0,2,0,0,0,0|1,0,0]=3 2690 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-9629903099 [0,2,0,0,0,0|1,0,0]=3 2691 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [0,2,0,0,0,0|1,0,0]=3 2692 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-1760352503 [0,2,0,0,0,0|1,0,0]=3 2693 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-2341573677 [0,2,0,0,0,0|1,0,0]=3 2694 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-3415036603 [0,2,0,0,0,0|2,0,0]=4 2695 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-9677139342 [0,2,0,0,0,0|2,0,0]=4 2696 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-2215911951 [0,2,0,0,0,0|1,0,0]=3 2697 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-3217669453 [0,2,0,0,0,0|1,0,0]=3 2698 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [0,2,0,0,0,0|1,0,0]=3 2699 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [0,2,0,0,0,0|1,0,0]=3 2700 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [0,2,0,0,0,0|1,0,0]=3 2701 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [0,2,0,0,0,0|1,0,0]=3 2702 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [0,2,0,0,0,0|1,0,0]=3 2703 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [0,2,0,0,0,0|1,0,0]=3 2704 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [0,2,0,0,0,0|1,0,0]=3 2705 B8R0.2 COC(=O)C(C)C(=O)O MCULE-6548116408 [0,2,0,0,0,0|0,1,1]=4 2706 B8R0.2 COC(=O)C(N)C(=O)O MCULE-2696171130 [0,2,0,0,0,0|0,1,1]=4 2707 B8R0.2 COC(=O)C(N)C(=O)O MCULE-7192453479 [0,2,0,0,0,0|0,1,1]=4 2708 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-3813999303 [0,2,0,0,0,0|0,1,1]=4 2709 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-7475117362 [0,2,0,0,0,0|0,1,1]=4 2710 B8R0.2 COC(C)C(Br)C(=O)O MCULE-2500266383 [0,2,0,0,0,0|0,1,0]=3 2711 B8R0.2 COC(C)C(O)C(=O)O MCULE-2673265957 [0,2,0,0,0,0|0,1,0]=3 2712 B8R0.2 COC(C)C([NH3+])C(=O)[O-] MCULE-9174020309 [0,2,0,0,0,0|0,1,1]=4 2713 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-2479965444 [0,2,0,0,0,0|0,1,0]=3 2714 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-3288712191 [0,2,0,0,0,0|0,1,0]=3 2715 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-6827226453 [0,2,0,0,0,0|0,1,0]=3 2716 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-6762158780 [0,2,0,0,0,0|0,1,0]=3 2717 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-9087542117 [0,2,0,0,0,0|0,1,0]=3 2718 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6235935164 [0,2,0,0,0,0|0,1,0]=3 2719 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6758536252 [0,2,0,0,0,0|0,1,0]=3 2720 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-7334607468 [0,2,0,0,0,0|0,1,0]=3 2721 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-8564530384 [0,2,0,0,0,0|0,1,0]=3 2722 B8R0.2 CSC(C)C(N)C(=O)O MCULE-6226096646 [0,2,0,0,0,0|0,0,0]=2 2723 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [0,2,0,0,0,0|2,0,0]=4 2724 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [0,2,0,0,0,0|2,0,0]=4 2725 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [0,2,0,0,0,0|2,0,0]=4 2726 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1416545198 [0,2,0,0,0,0|2,0,0]=4 2727 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1950370478 [0,2,0,0,0,0|2,0,0]=4 2728 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [0,2,0,0,0,0|1,0,1]=4 2729 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [0,2,0,0,0,0|1,0,1]=4 2730 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [0,2,0,0,0,0|1,0,1]=4 2731 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [0,2,0,0,0,0|1,0,1]=4 2732 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [0,2,0,0,0,0|1,0,1]=4 2733 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [0,2,0,0,0,0|1,0,1]=4 2734 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [0,2,0,0,0,0|1,0,1]=4 2735 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [0,2,0,0,0,0|1,0,1]=4 2736 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [0,2,0,0,0,0|1,0,1]=4 2737 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [0,2,0,0,0,0|1,0,1]=4 2738 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [0,2,0,0,0,0|1,0,0]=3 2739 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [0,2,0,0,0,0|1,0,0]=3 2740 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [0,2,0,0,0,0|1,0,1]=4 2741 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [0,2,0,0,0,0|1,0,1]=4 2742 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [0,2,0,0,0,0|1,0,1]=4 2743 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [0,2,0,0,0,0|1,0,1]=4 2744 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [0,2,0,0,0,0|1,0,1]=4 2745 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [0,2,0,0,0,0|1,0,1]=4 2746 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [0,2,0,0,0,0|1,0,1]=4 2747 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [0,2,0,0,0,0|1,0,1]=4 2748 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [0,2,0,0,0,0|1,0,1]=4 2749 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [0,2,0,0,0,0|1,0,1]=4 2750 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [0,2,0,0,0,0|1,0,1]=4 2751 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [0,2,0,0,0,0|1,0,1]=4 2752 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [0,2,0,0,0,0|1,0,0]=3 2753 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [0,2,0,0,0,0|1,0,1]=4 2754 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [0,2,0,0,0,0|1,0,1]=4 2755 B8R0.5 CCCC(=O)CC(=O)C MCULE-1126963023 [0,2,0,0,0,0|2,0,0]=4 2756 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,2,0,0,0,0|1,0,0]=3 2757 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [0,2,0,0,0,0|2,0,0]=4 2758 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [0,2,0,0,0,0|1,0,0]=3 2759 B8R0.5 CCCC(C)OC(=O)C MCULE-2841775696 [0,2,0,0,0,0|2,0,0]=4 2760 B8R0.5 CCCC(C)OC(=O)Cl MCULE-8719460411 [0,2,0,0,0,0|2,0,0]=4 2761 B8R0.5 CCCC(C)OC(=O)N MCULE-5471819133 [0,2,0,0,0,0|2,0,0]=4 2762 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [0,2,0,0,0,0|1,0,0]=3 2763 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [0,2,0,0,0,0|1,0,0]=3 2764 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [0,2,0,0,0,0|1,0,0]=3 2765 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [0,2,0,0,0,0|1,0,0]=3 2766 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [0,2,0,0,0,0|1,0,0]=3 2767 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [0,2,0,0,0,0|1,0,0]=3 2768 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [0,2,0,0,0,0|1,0,0]=3 2769 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [0,2,0,0,0,0|1,0,0]=3 2770 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [0,2,0,0,0,0|1,0,0]=3 2771 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [0,2,0,0,0,0|1,0,0]=3 2772 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [0,2,0,0,0,0|1,0,0]=3 2773 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [0,2,0,0,0,0|1,0,0]=3 2774 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [0,2,0,0,0,0|1,0,0]=3 2775 B8R0.5 CCNC(=O)CC(=O)O MCULE-6073095545 [0,2,0,0,0,0|1,0,1]=4 2776 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [0,2,0,0,0,0|1,0,0]=3 2777 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [0,2,0,0,0,0|1,0,0]=3 2778 B8R0.5 CCOC(=O)CC(=O)O MCULE-9495505919 [0,2,0,0,0,0|0,1,1]=4 2779 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [0,2,0,0,0,0|0,0,0]=2 2780 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [0,2,0,0,0,0|2,0,0]=4 2781 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [0,2,0,0,0,0|1,0,0]=3 2782 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [0,2,0,0,0,0|1,0,0]=3 2783 B8R0.5 COCC(=CC(=O)O)C MCULE-7202220126 [0,2,0,0,0,0|0,1,1]=4 2784 B8R0.5 COCC(=O)CC(=O)C MCULE-8600900987 [0,2,0,0,0,0|1,1,0]=4 2785 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [0,2,0,0,0,0|0,1,0]=3 2786 B8R0.5 COCC(C)NC(=O)N MCULE-1001849810 [0,2,0,0,0,0|1,1,0]=4 2787 B8R0.5 COCC(C)OC(=O)C MCULE-8540773364 [0,2,0,0,0,0|1,1,0]=4 2788 B8R0.5 COCC(C)OC(=O)Cl MCULE-3426225357 [0,2,0,0,0,0|1,1,0]=4 2789 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [0,2,0,0,0,0|1,0,0]=3 2790 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [0,2,0,0,0,0|1,0,0]=3 2791 B8R0.16 C=CC(CC)CC(=O)O MCULE-3976460208 [0,2,0,0,0,0|1,0,0]=3 2792 B8R0.16 CCC(CC(=O)N)OC MCULE-9685044533 [0,2,0,0,0,0|1,1,0]=4 2793 B8R0.16 CCC(CC(=O)O)OC MCULE-7066116722 [0,2,0,0,0,0|0,1,0]=3 2794 B8R0.16 CCC(CC(=O)O)SC MCULE-6546556452 [0,2,0,0,0,0|0,0,0]=2 2795 B8R0.16 CCC(CC)CC(=O)C MCULE-6127320575 [0,2,0,0,0,0|2,0,0]=4 2796 B8R0.16 CCC(CC)CC(=O)N MCULE-7974720854 [0,2,0,0,0,0|2,0,0]=4 2797 B8R0.16 CCC(CC)CC(=O)O MCULE-1604696319 [0,2,0,0,0,0|1,0,0]=3 2798 B8R0.16 CCN(CC)CC(=O)O MCULE-3120416437 [0,2,0,0,0,0|2,0,0]=4 2799 B8R0.16 CCN(CC)CC(=O)O MCULE-4968287986 [0,2,0,0,0,0|2,0,0]=4 2800 B8R0.16 COC(CC(=O)C)OC MCULE-4638877505 [0,2,0,0,0,0|1,1,0]=4 2801 B8R0.16 COC(CC(=O)N)OC MCULE-8599636273 [0,2,0,0,0,0|1,1,0]=4 2802 B8R0.16 COC(CC(=O)O)OC MCULE-5378328171 [0,2,0,0,0,0|0,1,0]=3 2803 B8R0.16 COC(CN)CC(=O)O MCULE-5640667137 [0,2,0,0,0,0|0,1,0]=3 2804 B8R0.16 COC(CN)CC(=O)O MCULE-6451369002 [0,2,0,0,0,0|0,1,0]=3 2805 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [0,2,0,0,0,0|2,0,0]=4 2806 B8R0.19 C(O)(CC)CC(=O)OC MCULE-6615199457 [0,2,0,0,0,0|1,0,0]=3 2807 B8R0.19 CCC(=O)CC(=O)OC MCULE-1605349915 [0,2,0,0,0,0|1,0,1]=4 2808 B8R0.19 CCC(=O)CC(C)CC MCULE-8568086135 [0,2,0,0,0,0|2,0,0]=4 2809 B8R0.19 CCC(C)CC(=O)OC MCULE-6040162942 [0,2,0,0,0,0|1,0,0]=3 2810 B8R0.19 CCC(N)CC(=O)OC MCULE-4861062224 [0,2,0,0,0,0|1,0,0]=3 2811 B8R0.19 CCC(N)CC(=O)OC MCULE-5474414259 [0,2,0,0,0,0|1,0,0]=3 2812 B8R0.19 CCC(N)CC(=O)OC MCULE-6614411962 [0,2,0,0,0,0|1,0,0]=3 2813 B8R0.19 CCC(N)CC(=O)OC MCULE-8833088600 [0,2,0,0,0,0|1,0,0]=3 2814 B8R0.19 CC[C@@H](N)CC(=O)OC MCULE-2253918492 [0,2,0,0,0,0|1,0,0]=3 2815 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-7264527834 [0,2,0,0,0,0|1,0,0]=3 2816 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-8077794874 [0,2,0,0,0,0|1,0,0]=3 2817 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-1636989319 [0,2,0,0,0,0|1,0,0]=3 2818 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-6253948831 [0,2,0,0,0,0|1,0,0]=3 2819 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-7924708820 [0,2,0,0,0,0|1,0,0]=3 2820 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-8911472049 [0,2,0,0,0,0|1,0,0]=3 2821 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-3861554927 [0,2,0,0,0,0|1,0,0]=3 2822 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-6307000918 [0,2,0,0,0,0|1,0,0]=3 2823 B8R0.19 CNC(=O)CC(C)NC MCULE-8409395532 [0,2,0,0,0,0|2,0,0]=4 2824 B8R0.19 CNC(=O)CC(C)NC MCULE-9311295772 [0,2,0,0,0,0|2,0,0]=4 2825 B8R0.19 CNC(C)CC(=O)OC MCULE-1039195486 [0,2,0,0,0,0|1,0,0]=3 2826 B8R0.19 COC(=N)CC(=O)OC MCULE-2416316391 [0,2,0,0,0,0|0,1,1]=4 2827 B8R0.19 COC(=N)CC(=O)OC MCULE-9193442551 [0,2,0,0,0,0|0,1,1]=4 2828 B8R0.19 COC(=O)CC(=O)OC MCULE-1727448163 [0,2,0,0,0,0|0,1,1]=4 2829 B8R0.19 COC(=O)CC(C)C=O MCULE-1183479071 [0,2,0,0,0,0|2,0,0]=4 2830 B8R0.19 COC(=O)CC(C)CBr MCULE-9170421446 [0,2,0,0,0,0|2,0,0]=4 2831 B8R0.19 COC(=O)CC(C)SC MCULE-9425584839 [0,2,0,0,0,0|0,0,0]=2 2832 B8R0.19 COC(=O)CC(N)CN MCULE-3079708048 [0,2,0,0,0,0|2,0,0]=4 2833 B8R0.19 COC(=O)CC(N)CN MCULE-5046271852 [0,2,0,0,0,0|2,0,0]=4 2834 B8R0.19 COC(=O)CC(N)CO MCULE-4803123890 [0,2,0,0,0,0|2,0,0]=4 2835 B8R0.19 COC(=O)CC(N)CO MCULE-5372024399 [0,2,0,0,0,0|2,0,0]=4 2836 B8R0.19 COC(=O)CC(O)CCl MCULE-3924993874 [0,2,0,0,0,0|2,0,0]=4 2837 B8R0.19 COC(=O)CC(O)CN MCULE-6633164904 [0,2,0,0,0,0|2,0,0]=4 2838 B8R0.19 COC(=O)CC(O)CN MCULE-6973205945 [0,2,0,0,0,0|2,0,0]=4 2839 B8R0.19 COC(=O)CC(O)CO MCULE-1721395490 [0,2,0,0,0,0|2,0,0]=4 2840 B8R0.19 COC(=O)CC(O)CO MCULE-7578547932 [0,2,0,0,0,0|2,0,0]=4 2841 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2437500598 [0,2,0,0,0,0|2,0,0]=4 2842 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2535323310 [0,2,0,0,0,0|2,0,0]=4 2843 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2232290900 [0,2,0,0,0,0|2,0,0]=4 2844 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2298624118 [0,2,0,0,0,0|2,0,0]=4 2845 B8R0.19 COC(=O)C[C@H](O)CO MCULE-3243102477 [0,2,0,0,0,0|2,0,0]=4 2846 B8R0.19 COC(=O)C[C@H](O)CO MCULE-7538479392 [0,2,0,0,0,0|2,0,0]=4 2847 B8R0.19 O=C(CO)CC(O)CO MCULE-2853556664 [0,2,0,0,0,0|2,0,0]=4 2848 B8R0.19 [C@@H](N)(CC)CC(=O)OC MCULE-3287738066 [0,2,0,0,0,0|1,0,0]=3 2849 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [0,2,0,0,0,0|1,0,0]=3 2850 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,2,0,0,0,0|0,0,1]=3 2851 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,2,0,0,0,0|1,0,1]=4 2852 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,2,0,0,0,0|1,0,1]=4 2853 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,2,0,0,0,0|1,0,1]=4 2854 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,2,0,0,0,0|1,0,1]=4 2855 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,2,0,0,0,0|1,0,1]=4 2856 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,2,0,0,0,0|1,0,0]=3 2857 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,2,0,0,0,0|1,0,0]=3 2858 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,2,0,0,0,0|1,0,0]=3 2859 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,2,0,0,0,0|1,0,0]=3 2860 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,2,0,0,0,0|1,0,0]=3 2861 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,2,0,0,0,0|1,0,0]=3 2862 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,2,0,0,0,0|1,0,0]=3 2863 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,2,0,0,0,0|1,0,0]=3 2864 B8R0.23 C=C(CC(C)C)C(=O)O MCULE-5929811654 [0,2,0,0,0,0|1,0,1]=4 2865 B8R0.23 C=C(CN(C)C)C(=O)O MCULE-9526642183 [0,2,0,0,0,0|1,0,1]=4 2866 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,2,0,0,0,0|1,0,1]=4 2867 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,2,0,0,0,0|1,0,1]=4 2868 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,2,0,0,0,0|1,0,0]=3 2869 B8R0.23 CC(=O)C(C)CC(C)C MCULE-9956513410 [0,2,0,0,0,0|2,0,0]=4 2870 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,2,0,0,0,0|1,0,0]=3 2871 B8R0.23 CC(=O)C(N)CC(C)C MCULE-2548441556 [0,2,0,0,0,0|2,0,0]=4 2872 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,2,0,0,0,0|1,0,0]=3 2873 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,2,0,0,0,0|1,0,0]=3 2874 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,2,0,0,0,0|1,0,0]=3 2875 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,2,0,0,0,0|2,0,0]=4 2876 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,2,0,0,0,0|1,0,0]=3 2877 B8R0.23 CC(=O)CC(O)[C@H](C)N MCULE-3417979643 [0,2,0,0,0,0|2,0,0]=4 2878 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,2,0,0,0,0|2,0,0]=4 2879 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,2,0,0,0,0|2,0,0]=4 2880 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,2,0,0,0,0|2,0,0]=4 2881 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,2,0,0,0,0|2,0,0]=4 2882 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,2,0,0,0,0|2,0,0]=4 2883 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,2,0,0,0,0|2,0,0]=4 2884 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,2,0,0,0,0|2,0,0]=4 2885 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,2,0,0,0,0|2,0,0]=4 2886 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,2,0,0,0,0|2,0,0]=4 2887 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,2,0,0,0,0|2,0,0]=4 2888 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,2,0,0,0,0|2,0,0]=4 2889 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,2,0,0,0,0|2,0,0]=4 2890 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,2,0,0,0,0|2,0,0]=4 2891 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [0,2,0,0,0,0|1,0,1]=4 2892 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [0,2,0,0,0,0|1,0,0]=3 2893 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,2,0,0,0,0|1,0,0]=3 2894 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,2,0,0,0,0|1,0,0]=3 2895 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,2,0,0,0,0|1,0,0]=3 2896 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,2,0,0,0,0|1,0,0]=3 2897 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,2,0,0,0,0|1,0,0]=3 2898 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [0,2,0,0,0,0|1,0,1]=4 2899 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [0,2,0,0,0,0|1,0,0]=3 2900 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [0,2,0,0,0,0|1,0,0]=3 2901 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [0,2,0,0,0,0|1,0,0]=3 2902 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [0,2,0,0,0,0|1,0,0]=3 2903 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [0,2,0,0,0,0|1,0,0]=3 2904 B8R0.23 CC(C)CC(N)C(=O)N MCULE-8974870406 [0,2,0,0,0,0|2,0,0]=4 2905 B8R0.23 CC(C)CC(N)C(=O)N MCULE-9193295179 [0,2,0,0,0,0|2,0,0]=4 2906 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [0,2,0,0,0,0|1,0,0]=3 2907 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [0,2,0,0,0,0|1,0,0]=3 2908 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [0,2,0,0,0,0|1,0,0]=3 2909 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [0,2,0,0,0,0|1,0,0]=3 2910 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [0,2,0,0,0,0|1,0,0]=3 2911 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [0,2,0,0,0,0|1,0,0]=3 2912 B8R0.23 CC(C)C[C@@H](N)C(=O)N MCULE-6195005494 [0,2,0,0,0,0|2,0,0]=4 2913 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [0,2,0,0,0,0|1,0,0]=3 2914 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [0,2,0,0,0,0|1,0,0]=3 2915 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [0,2,0,0,0,0|1,0,0]=3 2916 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [0,2,0,0,0,0|1,0,0]=3 2917 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [0,2,0,0,0,0|1,0,0]=3 2918 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [0,2,0,0,0,0|1,0,0]=3 2919 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [0,2,0,0,0,0|1,0,0]=3 2920 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [0,2,0,0,0,0|1,0,0]=3 2921 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-3907393760 [0,2,0,0,0,0|2,0,0]=4 2922 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-5393472198 [0,2,0,0,0,0|2,0,0]=4 2923 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-7425207205 [0,2,0,0,0,0|2,0,0]=4 2924 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-8093463847 [0,2,0,0,0,0|2,0,0]=4 2925 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [0,2,0,0,0,0|1,0,0]=3 2926 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [0,2,0,0,0,0|1,0,0]=3 2927 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [0,2,0,0,0,0|1,0,0]=3 2928 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [0,2,0,0,0,0|1,0,0]=3 2929 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [0,2,0,0,0,0|1,0,0]=3 2930 B8R0.23 CC(C)N(C)CC(=O)O MCULE-7118433089 [0,2,0,0,0,0|2,0,0]=4 2931 B8R0.23 CC(C)N(C)CC(=O)O MCULE-8801372857 [0,2,0,0,0,0|2,0,0]=4 2932 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [0,2,0,0,0,0|2,0,0]=4 2933 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [0,2,0,0,0,0|2,0,0]=4 2934 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [0,2,0,0,0,0|2,0,0]=4 2935 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [0,2,0,0,0,0|2,0,0]=4 2936 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,2,0,0,0,0|1,0,0]=3 2937 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,2,0,0,0,0|1,0,0]=3 2938 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,2,0,0,0,0|1,0,0]=3 2939 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,2,0,0,0,0|1,0,0]=3 2940 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,2,0,0,0,0|1,0,0]=3 2941 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,2,0,0,0,0|1,0,0]=3 2942 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,2,0,0,0,0|1,0,0]=3 2943 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,2,0,0,0,0|1,0,0]=3 2944 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,2,0,0,0,0|1,0,0]=3 2945 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,2,0,0,0,0|2,0,0]=4 2946 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,2,0,0,0,0|2,0,0]=4 2947 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,2,0,0,0,0|2,0,0]=4 2948 B8R0.23 CC(CC(=O)O)C(F)F MCULE-1349015136 [0,2,0,0,0,0|2,0,0]=4 2949 B8R0.23 CC(CC(=O)O)N(C)C MCULE-5382425068 [0,2,0,0,0,0|1,0,0]=3 2950 B8R0.23 CC(CC(=O)O)N(C)C MCULE-9798996642 [0,2,0,0,0,0|1,0,0]=3 2951 B8R0.23 CC(CC(F)F)C(=O)O MCULE-2211206695 [0,2,0,0,0,0|2,0,0]=4 2952 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [0,2,0,0,0,0|1,0,0]=3 2953 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [0,2,0,0,0,0|1,0,0]=3 2954 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,2,0,0,0,0|0,0,1]=3 2955 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,2,0,0,0,0|1,0,0]=3 2956 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,2,0,0,0,0|1,0,0]=3 2957 B8R0.23 CN(C)C(=O)CC(=O)O MCULE-6715213324 [0,2,0,0,0,0|1,0,1]=4 2958 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [0,2,0,0,0,0|1,0,0]=3 2959 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [0,2,0,0,0,0|1,0,0]=3 2960 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [0,2,0,0,0,0|1,0,0]=3 2961 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [0,2,0,0,0,0|1,0,0]=3 2962 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [0,2,0,0,0,0|1,0,0]=3 2963 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [0,2,0,0,0,0|1,0,0]=3 2964 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [0,2,0,0,0,0|1,0,0]=3 2965 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [0,2,0,0,0,0|1,0,0]=3 2966 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [0,2,0,0,0,0|1,0,0]=3 2967 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,2,0,0,0,0|0,0,1]=3 2968 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,2,0,0,0,0|0,0,1]=3 2969 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,2,0,0,0,0|0,0,1]=3 2970 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,2,0,0,0,0|2,0,0]=4 2971 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,2,0,0,0,0|2,0,0]=4 2972 B8R0.23 C[C@@H](CC(=O)O)N(C)C MCULE-7203350382 [0,2,0,0,0,0|1,0,0]=3 2973 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,2,0,0,0,0|1,0,0]=3 2974 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,2,0,0,0,0|1,0,0]=3 2975 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,2,0,0,0,0|1,0,0]=3 2976 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,2,0,0,0,0|1,0,0]=3 2977 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,2,0,0,0,0|1,0,0]=3 2978 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,2,0,0,0,0|1,0,0]=3 2979 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,2,0,0,0,0|2,0,0]=4 2980 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,2,0,0,0,0|2,0,0]=4 2981 B8R0.23 C[C@H](CC(=O)O)N(C)C MCULE-8459726256 [0,2,0,0,0,0|1,0,0]=3 2982 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [0,2,0,0,0,0|1,0,0]=3 2983 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [0,2,0,0,0,0|1,0,0]=3 2984 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,2,0,0,0,0|1,0,0]=3 2985 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,2,0,0,0,0|0,0,1]=3 2986 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,2,0,0,0,0|2,0,0]=4 2987 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,2,0,0,0,0|2,0,0]=4 2988 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,2,0,0,0,0|2,0,0]=4 2989 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,2,0,0,0,0|2,0,0]=4 2990 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,2,0,0,0,0|2,0,0]=4 2991 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,2,0,0,0,0|2,0,0]=4 2992 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,2,0,0,0,0|2,0,0]=4 2993 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,2,0,0,0,0|2,0,0]=4 2994 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,2,0,0,0,0|2,0,0]=4 2995 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,2,0,0,0,0|2,0,0]=4 2996 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,2,0,0,0,0|2,0,0]=4 2997 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,2,0,0,0,0|2,0,0]=4 2998 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,2,0,0,0,0|2,0,0]=4 2999 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,2,0,0,0,0|2,0,0]=4 3000 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,2,0,0,0,0|2,0,0]=4 3001 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,2,0,0,0,0|2,0,0]=4 3002 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,2,0,0,0,0|2,0,0]=4 3003 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,2,0,0,0,0|2,0,0]=4 3004 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [0,2,0,0,0,0|2,0,0]=4 3005 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [0,2,0,0,0,0|2,0,0]=4 3006 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,2,0,0,0,0|2,0,0]=4 3007 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,2,0,0,0,0|2,0,0]=4 3008 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,2,0,0,0,0|2,0,0]=4 3009 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,2,0,0,0,0|2,0,0]=4 3010 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [0,2,0,0,0,0|2,0,0]=4 3011 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [0,2,0,0,0,0|2,0,0]=4 3012 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [0,2,0,0,0,0|2,0,0]=4 3013 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [0,2,0,0,0,0|2,0,0]=4 3014 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,2,0,0,0,0|1,0,1]=4 3015 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,2,0,0,0,0|1,0,1]=4 3016 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,2,0,0,0,0|2,0,0]=4 3017 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [0,2,0,0,0,0|2,0,0]=4 3018 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [0,2,0,0,0,0|2,0,0]=4 3019 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,2,0,0,0,0|2,0,0]=4 3020 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,2,0,0,0,0|2,0,0]=4 3021 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,2,0,0,0,0|2,0,0]=4 3022 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,2,0,0,0,0|2,0,0]=4 3023 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,2,0,0,0,0|2,0,0]=4 3024 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,2,0,0,0,0|2,0,0]=4 3025 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,2,0,0,0,0|2,0,0]=4 3026 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,2,0,0,0,0|2,0,0]=4 3027 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,2,0,0,0,0|2,0,0]=4 3028 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,2,0,0,0,0|2,0,0]=4 3029 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,2,0,0,0,0|2,0,0]=4 3030 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,2,0,0,0,0|2,0,0]=4 3031 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,2,0,0,0,0|2,0,0]=4 3032 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,2,0,0,0,0|2,0,0]=4 3033 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,2,0,0,0,0|2,0,0]=4 3034 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,2,0,0,0,0|2,0,0]=4 3035 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,2,0,0,0,0|2,0,0]=4 3036 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,2,0,0,0,0|2,0,0]=4 3037 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,2,0,0,0,0|2,0,0]=4 3038 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-4796212792 [0,2,0,0,0,0|2,0,0]=4 3039 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-7620299780 [0,2,0,0,0,0|2,0,0]=4 3040 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-8990653324 [0,2,0,0,0,0|2,0,0]=4 3041 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,2,0,0,0,0|0,0,1]=3 3042 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,2,0,0,0,0|1,0,1]=4 3043 B8R0.34 C=CC(C)(C)CC(=O)O MCULE-5164134544 [0,2,0,0,0,0|1,0,1]=4 3044 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-6219975516 [0,2,0,0,0,0|1,0,1]=4 3045 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-7181187393 [0,2,0,0,0,0|1,0,1]=4 3046 B8R0.34 C=CC(C)(O)CC(=O)O MCULE-2178203310 [0,2,0,0,0,0|1,0,1]=4 3047 B8R0.34 CC(C)(C#N)CC(=O)O MCULE-3389391069 [0,2,0,0,0,0|2,0,0]=4 3048 B8R0.34 CC(C)(CBr)CC(=O)O MCULE-4311085343 [0,2,0,0,0,0|2,0,0]=4 3049 B8R0.34 CC(C)(CN)CC(=O)O MCULE-6230830854 [0,2,0,0,0,0|2,0,0]=4 3050 B8R0.34 CC(C)(CN)CC(=O)O MCULE-7518023349 [0,2,0,0,0,0|2,0,0]=4 3051 B8R0.34 CC(C)(CO)CC(=O)O MCULE-8595593482 [0,2,0,0,0,0|2,0,0]=4 3052 B8R0.34 CC(O)(CN)CC(=O)O MCULE-3304637192 [0,2,0,0,0,0|2,0,0]=4 3053 B8R0.34 CC(O)(CN)CC(=O)O MCULE-4143526784 [0,2,0,0,0,0|2,0,0]=4 3054 B8R0.34 CCC(C)(C)CC(=O)C MCULE-9050476347 [0,2,0,0,0,0|2,0,0]=4 3055 B8R0.34 CCC(C)(C)CC(=O)O MCULE-7231252497 [0,2,0,0,0,0|1,0,0]=3 3056 B8R0.34 CCC(C)(O)CC(=O)O MCULE-2487477968 [0,2,0,0,0,0|1,0,0]=3 3057 B8R0.34 CCC(F)(F)CC(=O)O MCULE-6139996682 [0,2,0,0,0,0|1,0,0]=3 3058 B8R0.34 CCS(=O)(=O)CC(=O)O MCULE-2833586083 [0,2,0,0,0,0|2,0,0]=4 3059 B8R0.34 CNS(=O)(=O)CC(=O)O MCULE-3154336304 [0,2,0,0,0,0|2,0,0]=4 3060 B8R0.34 COC(C)(C)CC(=O)C MCULE-7283878436 [0,2,0,0,0,0|1,1,0]=4 3061 B8R0.34 COC(C)(C)CC(=O)O MCULE-3953307849 [0,2,0,0,0,0|0,1,0]=3 3062 B8R0.34 CSC(C)(C)CC(=O)C MCULE-8630996828 [0,2,0,0,0,0|1,0,0]=3 3063 B8R0.34 NCC(F)(F)CC(=O)O MCULE-1672648881 [0,2,0,0,0,0|2,0,0]=4 3064 B8R0.1 C#CCCC(=O)CCO MCULE-7809473412 [0,2,0,0,0,0|1,0,1]=4 3065 B8R0.1 C#CCCC(=O)OCC MCULE-9456160977 [0,2,0,0,0,0|1,0,1]=4 3066 B8R0.1 C/C=C/C(=O)CCCC MCULE-6753420308 [0,2,0,0,0,0|2,0,0]=4 3067 B8R0.1 C=CCC(=O)CCCC MCULE-4100882049 [0,2,0,0,0,0|2,0,0]=4 3068 B8R0.1 C=CCCC(=O)OCC MCULE-4147956319 [0,2,0,0,0,0|1,0,1]=4 3069 B8R0.1 CC#CCC(=O)OCC MCULE-3108892964 [0,2,0,0,0,0|1,0,1]=4 3070 B8R0.1 CC=CC(=O)CCCC MCULE-2281679965 [0,2,0,0,0,0|2,0,0]=4 3071 B8R0.1 CCCCC(=N)OCC MCULE-3866961773 [0,2,0,0,0,0|2,0,0]=4 3072 B8R0.1 CCCCC(=N)OCC MCULE-6116145724 [0,2,0,0,0,0|2,0,0]=4 3073 B8R0.1 CCCCC(=O)CCC MCULE-5459540473 [0,2,0,0,0,0|2,0,0]=4 3074 B8R0.1 CCCCC(=O)COC MCULE-7059597173 [0,2,0,0,0,0|1,0,0]=3 3075 B8R0.1 CCCCC(=O)OCC MCULE-1219537918 [0,2,0,0,0,0|1,0,0]=3 3076 B8R0.1 CCCCC(=O)OCCl MCULE-1974449433 [0,2,0,0,0,0|1,0,0]=3 3077 B8R0.1 CCCCS(=O)CCO MCULE-9422446521 [0,2,0,0,0,0|2,0,0]=4 3078 B8R0.1 CCCOC(=O)CCO MCULE-7390309329 [0,2,0,0,0,0|2,0,0]=4 3079 B8R0.1 CCCOC(=O)OCCl MCULE-7435813375 [0,2,0,0,0,0|2,0,0]=4 3080 B8R0.1 CCNCC(=O)OCC MCULE-7972358572 [0,2,0,0,0,0|2,0,0]=4 3081 B8R0.1 CCNCC(=O)OCC MCULE-8893227629 [0,2,0,0,0,0|2,0,0]=4 3082 B8R0.1 CCOC(=N)CCOC MCULE-8187493489 [0,2,0,0,0,0|1,1,0]=4 3083 B8R0.1 CCOC(=N)CCOC MCULE-9185956666 [0,2,0,0,0,0|1,1,0]=4 3084 B8R0.1 CCOC(=O)CCC#N MCULE-9221721525 [0,2,0,0,0,0|2,0,0]=4 3085 B8R0.1 CCOC(=O)CCC=O MCULE-2891201608 [0,2,0,0,0,0|2,0,0]=4 3086 B8R0.1 CCOC(=O)CCCBr MCULE-5001503693 [0,2,0,0,0,0|2,0,0]=4 3087 B8R0.1 CCOC(=O)CCCCl MCULE-4945067440 [0,2,0,0,0,0|2,0,0]=4 3088 B8R0.1 CCOC(=O)CCCI MCULE-3229549270 [0,2,0,0,0,0|2,0,0]=4 3089 B8R0.1 CCOC(=O)CCCN MCULE-3396270547 [0,2,0,0,0,0|2,0,0]=4 3090 B8R0.1 CCOC(=O)CCCO MCULE-6165580365 [0,2,0,0,0,0|2,0,0]=4 3091 B8R0.1 CCOC(=O)CCCS MCULE-6616511520 [0,2,0,0,0,0|2,0,0]=4 3092 B8R0.1 CCOC(=O)CCC[NH3+] MCULE-4462126494 [0,2,0,0,0,0|2,0,0]=4 3093 B8R0.1 CCOC(=O)CCNC MCULE-2052970996 [0,2,0,0,0,0|1,0,0]=3 3094 B8R0.1 CCOC(=O)CCNC MCULE-5442289273 [0,2,0,0,0,0|1,0,0]=3 3095 B8R0.1 CCOC(=O)CCNN MCULE-6880821012 [0,2,0,0,0,0|2,0,0]=4 3096 B8R0.1 CCOC(=O)CCNN MCULE-9638408107 [0,2,0,0,0,0|2,0,0]=4 3097 B8R0.1 CCOC(=O)CCOC MCULE-5983048130 [0,2,0,0,0,0|0,1,0]=3 3098 B8R0.1 CCOC(=O)CCSC MCULE-6834820952 [0,2,0,0,0,0|0,0,0]=2 3099 B8R0.1 CCOC(=O)CSCC MCULE-5930366300 [0,2,0,0,0,0|2,0,0]=4 3100 B8R0.1 CCOCC(=O)OCC MCULE-5439289896 [0,2,0,0,0,0|2,0,0]=4 3101 B8R0.1 COCCC(=O)CC#N MCULE-3904176449 [0,2,0,0,0,0|1,1,0]=4 3102 B8R0.1 COCCC(=O)COC MCULE-3111860636 [0,2,0,0,0,0|0,1,0]=3 3103 B8R0.3 C#CCC(C)C(=O)OC MCULE-6858702149 [0,2,0,0,0,0|1,0,1]=4 3104 B8R0.3 C#CCC(N)C(=O)OC MCULE-2178950640 [0,2,0,0,0,0|1,0,1]=4 3105 B8R0.3 C#CCC(N)C(=O)OC MCULE-6758978147 [0,2,0,0,0,0|1,0,1]=4 3106 B8R0.3 C#CC[C@@H](N)C(=O)OC MCULE-1974908886 [0,2,0,0,0,0|1,0,1]=4 3107 B8R0.3 C#CC[C@@H](N)C(=O)OC MCULE-4511622416 [0,2,0,0,0,0|1,0,1]=4 3108 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-1519824425 [0,2,0,0,0,0|1,0,1]=4 3109 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-2744971317 [0,2,0,0,0,0|1,0,1]=4 3110 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-4813964115 [0,2,0,0,0,0|1,0,1]=4 3111 B8R0.3 C#CC[C@H](N)C(=O)OC MCULE-6433911913 [0,2,0,0,0,0|1,0,1]=4 3112 B8R0.3 C=C(COC)C(=O)OC MCULE-7593559443 [0,2,0,0,0,0|0,1,1]=4 3113 B8R0.3 C=CCC(Cl)C(=O)OC MCULE-6530091518 [0,2,0,0,0,0|1,0,1]=4 3114 B8R0.3 C=CCC(N)C(=O)OC MCULE-1390503391 [0,2,0,0,0,0|1,0,1]=4 3115 B8R0.3 C=CCC(N)C(=O)OC MCULE-6527008669 [0,2,0,0,0,0|1,0,1]=4 3116 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1188632168 [0,2,0,0,0,0|1,0,1]=4 3117 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1561172370 [0,2,0,0,0,0|1,0,1]=4 3118 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1592773442 [0,2,0,0,0,0|1,0,1]=4 3119 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-2928833845 [0,2,0,0,0,0|1,0,1]=4 3120 B8R0.3 C=CC[C@@H](O)C(=O)OC MCULE-5528424936 [0,2,0,0,0,0|1,0,1]=4 3121 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-1184647267 [0,2,0,0,0,0|1,0,1]=4 3122 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-6782970786 [0,2,0,0,0,0|1,0,1]=4 3123 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-7213365607 [0,2,0,0,0,0|1,0,1]=4 3124 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-9811834405 [0,2,0,0,0,0|1,0,1]=4 3125 B8R0.3 CCCC(=O)C(=O)OC MCULE-5789275467 [0,2,0,0,0,0|1,0,1]=4 3126 B8R0.3 CCCC(Br)C(=O)OC MCULE-2779995445 [0,2,0,0,0,0|1,0,0]=3 3127 B8R0.3 CCCC(C)C(=O)CC MCULE-9990200653 [0,2,0,0,0,0|2,0,0]=4 3128 B8R0.3 CCCC(C)C(=O)OC MCULE-6953134216 [0,2,0,0,0,0|1,0,0]=3 3129 B8R0.3 CCCC(N)C(=O)NC MCULE-3980097421 [0,2,0,0,0,0|2,0,0]=4 3130 B8R0.3 CCCC(N)C(=O)NO MCULE-2069838283 [0,2,0,0,0,0|1,0,0]=3 3131 B8R0.3 CCCC(N)C(=O)OC MCULE-1453218994 [0,2,0,0,0,0|1,0,0]=3 3132 B8R0.3 CCCC(N)C(=O)OC MCULE-4171872835 [0,2,0,0,0,0|1,0,0]=3 3133 B8R0.3 CCCC(N)C(=O)OC MCULE-4324009425 [0,2,0,0,0,0|1,0,0]=3 3134 B8R0.3 CCCC(N)C(=O)OC MCULE-9533158990 [0,2,0,0,0,0|1,0,0]=3 3135 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-1310673609 [0,2,0,0,0,0|1,0,0]=3 3136 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5850698619 [0,2,0,0,0,0|1,0,0]=3 3137 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5854286766 [0,2,0,0,0,0|1,0,0]=3 3138 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-9793822862 [0,2,0,0,0,0|1,0,0]=3 3139 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-2009036281 [0,2,0,0,0,0|1,0,0]=3 3140 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5609199650 [0,2,0,0,0,0|1,0,0]=3 3141 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5628439347 [0,2,0,0,0,0|1,0,0]=3 3142 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-8724830592 [0,2,0,0,0,0|1,0,0]=3 3143 B8R0.3 CCNC(C)C(=O)OC MCULE-3289750233 [0,2,0,0,0,0|2,0,0]=4 3144 B8R0.3 CCNC(C)C(=O)OC MCULE-6862987622 [0,2,0,0,0,0|2,0,0]=4 3145 B8R0.3 CCN[C@@H](C)C(=O)OC MCULE-5663920756 [0,2,0,0,0,0|2,0,0]=4 3146 B8R0.3 CNCC(Br)C(=O)OC MCULE-2818400613 [0,2,0,0,0,0|1,0,0]=3 3147 B8R0.3 CNCC(Br)C(=O)OC MCULE-5823314810 [0,2,0,0,0,0|1,0,0]=3 3148 B8R0.3 CNCC(C)C(=O)NC MCULE-2413275831 [0,2,0,0,0,0|2,0,0]=4 3149 B8R0.3 CNCC(C)C(=O)OC MCULE-5525958870 [0,2,0,0,0,0|1,0,0]=3 3150 B8R0.3 CNC[C@H](N)C(=O)OC MCULE-6377659413 [0,2,0,0,0,0|1,0,0]=3 3151 B8R0.3 CNC[C@H](N)C(=O)OC MCULE-9611469994 [0,2,0,0,0,0|1,0,0]=3 3152 B8R0.3 COC(=O)C(Br)CCBr MCULE-4290973865 [0,2,0,0,0,0|2,0,0]=4 3153 B8R0.3 COC(=O)C(C)CCBr MCULE-7970722391 [0,2,0,0,0,0|2,0,0]=4 3154 B8R0.3 COC(=O)C(C)CCCl MCULE-3423199485 [0,2,0,0,0,0|2,0,0]=4 3155 B8R0.3 COC(=O)C(C)CCN MCULE-4788413403 [0,2,0,0,0,0|2,0,0]=4 3156 B8R0.3 COC(=O)C(C)CCN MCULE-6075427964 [0,2,0,0,0,0|2,0,0]=4 3157 B8R0.3 COC(=O)C(N)CCBr MCULE-5668145888 [0,2,0,0,0,0|2,0,0]=4 3158 B8R0.3 COC(=O)C(N)CCBr MCULE-5831054247 [0,2,0,0,0,0|2,0,0]=4 3159 B8R0.3 COC(=O)C(N)CCF MCULE-3356013030 [0,2,0,0,0,0|2,0,0]=4 3160 B8R0.3 COC(=O)C(N)CCF MCULE-6443244944 [0,2,0,0,0,0|2,0,0]=4 3161 B8R0.3 COC(=O)C(N)CCS MCULE-8178229832 [0,2,0,0,0,0|2,0,0]=4 3162 B8R0.3 COC(=O)C(N)CSC MCULE-6702025743 [0,2,0,0,0,0|0,0,0]=2 3163 B8R0.3 COC(=O)C(N)CSC MCULE-7180641175 [0,2,0,0,0,0|0,0,0]=2 3164 B8R0.3 COC(=O)C(O)CCN MCULE-7139144229 [0,2,0,0,0,0|2,0,0]=4 3165 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-1252477377 [0,2,0,0,0,0|2,0,0]=4 3166 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-6780159971 [0,2,0,0,0,0|2,0,0]=4 3167 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-8129635461 [0,2,0,0,0,0|2,0,0]=4 3168 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-9824385803 [0,2,0,0,0,0|2,0,0]=4 3169 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-5345736899 [0,2,0,0,0,0|2,0,0]=4 3170 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-8434362314 [0,2,0,0,0,0|2,0,0]=4 3171 B8R0.3 COC(=O)[C@@H](N)CCS MCULE-1895611205 [0,2,0,0,0,0|2,0,0]=4 3172 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-2532401863 [0,2,0,0,0,0|0,0,0]=2 3173 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-3321267517 [0,2,0,0,0,0|0,0,0]=2 3174 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-5693942065 [0,2,0,0,0,0|0,0,0]=2 3175 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-7597642447 [0,2,0,0,0,0|0,0,0]=2 3176 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-1204029497 [0,2,0,0,0,0|2,0,0]=4 3177 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-2464186416 [0,2,0,0,0,0|2,0,0]=4 3178 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-4887582087 [0,2,0,0,0,0|2,0,0]=4 3179 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-8785450046 [0,2,0,0,0,0|2,0,0]=4 3180 B8R0.3 COC(=O)[C@H](N)CCN MCULE-1821826306 [0,2,0,0,0,0|2,0,0]=4 3181 B8R0.3 COC(=O)[C@H](N)CCN MCULE-8161776969 [0,2,0,0,0,0|2,0,0]=4 3182 B8R0.3 COC(=O)[C@H](N)CCO MCULE-1194830786 [0,2,0,0,0,0|2,0,0]=4 3183 B8R0.3 COC(=O)[C@H](N)CCO MCULE-2532522705 [0,2,0,0,0,0|2,0,0]=4 3184 B8R0.3 COC(=O)[C@H](N)CCS MCULE-8558179208 [0,2,0,0,0,0|2,0,0]=4 3185 B8R0.3 COCC(Br)C(=O)OC MCULE-5792855565 [0,2,0,0,0,0|0,1,0]=3 3186 B8R0.3 COCC(C)C(=O)OC MCULE-4110856609 [0,2,0,0,0,0|0,1,0]=3 3187 B8R0.3 COCC(N)C(=O)OC MCULE-1717271658 [0,2,0,0,0,0|0,1,0]=3 3188 B8R0.3 COCC(N)C(=O)OC MCULE-4567479747 [0,2,0,0,0,0|0,1,0]=3 3189 B8R0.3 COCC(N)C(=O)OC MCULE-4859095599 [0,2,0,0,0,0|0,1,0]=3 3190 B8R0.3 COCC(N)C(=O)OC MCULE-8125210840 [0,2,0,0,0,0|0,1,0]=3 3191 B8R0.3 COCC(O)C(=O)OC MCULE-6071304250 [0,2,0,0,0,0|0,1,0]=3 3192 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-2867072950 [0,2,0,0,0,0|0,1,0]=3 3193 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-5445193744 [0,2,0,0,0,0|0,1,0]=3 3194 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-8505505456 [0,2,0,0,0,0|0,1,0]=3 3195 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-8525451378 [0,2,0,0,0,0|0,1,0]=3 3196 B8R0.6 C#CC(=O)NCCOC MCULE-6198532487 [0,2,0,0,0,0|1,1,0]=4 3197 B8R0.6 C#CCCCC(=O)OC MCULE-1834140672 [0,2,0,0,0,0|1,0,1]=4 3198 B8R0.6 C#CCCNC(=O)OC MCULE-4643907894 [0,2,0,0,0,0|1,0,1]=4 3199 B8R0.6 C#CCOCC(=O)OC MCULE-8743984162 [0,2,0,0,0,0|1,0,1]=4 3200 B8R0.6 C=CC(=O)CCCCC MCULE-9094274880 [0,2,0,0,0,0|2,0,0]=4 3201 B8R0.6 C=CC(=O)NCCCC MCULE-9365109925 [0,2,0,0,0,0|2,0,0]=4 3202 B8R0.6 C=CC(=O)NCCOC MCULE-1939884493 [0,2,0,0,0,0|1,1,0]=4 3203 B8R0.6 C=CC(=O)OCCCC MCULE-6944090543 [0,2,0,0,0,0|2,0,0]=4 3204 B8R0.6 C=CC(=O)OCCOC MCULE-6865078247 [0,2,0,0,0,0|1,1,0]=4 3205 B8R0.6 C=CCCCC(=O)OC MCULE-4913183131 [0,2,0,0,0,0|1,0,1]=4 3206 B8R0.6 C=CCOCC(=O)OC MCULE-7670885186 [0,2,0,0,0,0|1,0,1]=4 3207 B8R0.6 C=CCSCC(=O)OC MCULE-3363963029 [0,2,0,0,0,0|1,0,1]=4 3208 B8R0.6 CCC/C=C/C(=O)OC MCULE-6273561448 [0,2,0,0,0,0|1,0,1]=4 3209 B8R0.6 CCC=CCC(=O)OC MCULE-6432541061 [0,2,0,0,0,0|1,0,1]=4 3210 B8R0.6 CCCC#CC(=O)OC MCULE-1573744334 [0,2,0,0,0,0|1,0,1]=4 3211 B8R0.6 CCCC=CC(=O)OC MCULE-1227063444 [0,2,0,0,0,0|1,0,1]=4 3212 B8R0.6 CCCCCC(=N)NO MCULE-4721600537 [0,2,0,0,0,0|2,0,0]=4 3213 B8R0.6 CCCCCC(=O)CBr MCULE-6642335283 [0,2,0,0,0,0|2,0,0]=4 3214 B8R0.6 CCCCCC(=O)CC MCULE-2012071553 [0,2,0,0,0,0|2,0,0]=4 3215 B8R0.6 CCCCCC(=O)NN MCULE-3138841743 [0,2,0,0,0,0|2,0,0]=4 3216 B8R0.6 CCCCCC(=O)NO MCULE-8432990947 [0,2,0,0,0,0|1,0,0]=3 3217 B8R0.6 CCCCCC(=O)OC MCULE-2317616388 [0,2,0,0,0,0|1,0,0]=3 3218 B8R0.6 CCCCNC(=O)CBr MCULE-4128795630 [0,2,0,0,0,0|2,0,0]=4 3219 B8R0.6 CCCCNC(=O)CC MCULE-3176114265 [0,2,0,0,0,0|2,0,0]=4 3220 B8R0.6 CCCCNC(=O)CCl MCULE-6162581938 [0,2,0,0,0,0|2,0,0]=4 3221 B8R0.6 CCCCNC(=O)CN MCULE-2730890796 [0,2,0,0,0,0|2,0,0]=4 3222 B8R0.6 CCCCNC(=O)CN MCULE-8794795131 [0,2,0,0,0,0|2,0,0]=4 3223 B8R0.6 CCCCNC(=O)NC MCULE-7920588549 [0,2,0,0,0,0|2,0,0]=4 3224 B8R0.6 CCCCNC(=O)NN MCULE-2049505984 [0,2,0,0,0,0|2,0,0]=4 3225 B8R0.6 CCCCOC(=O)C=O MCULE-1707513945 [0,2,0,0,0,0|1,0,1]=4 3226 B8R0.6 CCCCOC(=O)CBr MCULE-8883996630 [0,2,0,0,0,0|2,0,0]=4 3227 B8R0.6 CCCCOC(=O)CC MCULE-4622389592 [0,2,0,0,0,0|2,0,0]=4 3228 B8R0.6 CCCCOC(=O)CCl MCULE-1608118057 [0,2,0,0,0,0|2,0,0]=4 3229 B8R0.6 CCCCOC(=O)CF MCULE-1355274212 [0,2,0,0,0,0|2,0,0]=4 3230 B8R0.6 CCCCOC(=O)CN MCULE-9168260466 [0,2,0,0,0,0|2,0,0]=4 3231 B8R0.6 CCCCOC(=O)CN MCULE-9585888268 [0,2,0,0,0,0|2,0,0]=4 3232 B8R0.6 CCCCOC(=O)CO MCULE-4016266350 [0,2,0,0,0,0|1,0,0]=3 3233 B8R0.6 CCCCOC(=O)CS MCULE-4331308025 [0,2,0,0,0,0|1,1,0]=4 3234 B8R0.6 CCCNCC(=O)NC MCULE-4750972571 [0,2,0,0,0,0|2,0,0]=4 3235 B8R0.6 CCCNCC(=O)OC MCULE-3321545319 [0,2,0,0,0,0|1,0,0]=3 3236 B8R0.6 CCCNCC(=O)OC MCULE-5989619684 [0,2,0,0,0,0|1,0,0]=3 3237 B8R0.6 CCCSCC(=O)OC MCULE-3865642484 [0,2,0,0,0,0|1,0,0]=3 3238 B8R0.6 CCNCCC(=O)NC MCULE-8230774906 [0,2,0,0,0,0|2,0,0]=4 3239 B8R0.6 CCNCCC(=O)NC MCULE-9131674592 [0,2,0,0,0,0|2,0,0]=4 3240 B8R0.6 CCNCCC(=O)NN MCULE-8224878393 [0,2,0,0,0,0|2,0,0]=4 3241 B8R0.6 CCNCCC(=O)OC MCULE-4846173976 [0,2,0,0,0,0|1,0,0]=3 3242 B8R0.6 CCOCCC(=N)OC MCULE-1143058685 [0,2,0,0,0,0|1,1,0]=4 3243 B8R0.6 CCOCCC(=N)OC MCULE-1528455249 [0,2,0,0,0,0|1,1,0]=4 3244 B8R0.6 CCOCCC(=O)NN MCULE-2571001026 [0,2,0,0,0,0|1,1,0]=4 3245 B8R0.6 CCSCCC(=O)OC MCULE-5773388371 [0,2,0,0,0,0|0,0,0]=2 3246 B8R0.6 CNCCCC(=O)NN MCULE-9999287103 [0,2,0,0,0,0|2,0,0]=4 3247 B8R0.6 CNCCCC(=O)OC MCULE-2437073705 [0,2,0,0,0,0|1,0,0]=3 3248 B8R0.6 CNCCCC(=O)OC MCULE-6776715081 [0,2,0,0,0,0|1,0,0]=3 3249 B8R0.6 CNCCNC(=O)NC MCULE-2973659795 [0,2,0,0,0,0|2,0,0]=4 3250 B8R0.6 COC(=O)CCCC#N MCULE-9088492518 [0,2,0,0,0,0|1,0,1]=4 3251 B8R0.6 COC(=O)CCCC=O MCULE-2183669341 [0,2,0,0,0,0|1,0,1]=4 3252 B8R0.6 COC(=O)CCCCBr MCULE-8354790214 [0,2,0,0,0,0|1,0,0]=3 3253 B8R0.6 COC(=O)CCCCCl MCULE-7057883989 [0,2,0,0,0,0|1,0,0]=3 3254 B8R0.6 COC(=O)CCCCI MCULE-1527923255 [0,2,0,0,0,0|1,0,0]=3 3255 B8R0.6 COC(=O)CCCCN MCULE-3452725442 [0,2,0,0,0,0|1,0,0]=3 3256 B8R0.6 COC(=O)CCCCN MCULE-8816545129 [0,2,0,0,0,0|1,0,0]=3 3257 B8R0.6 COC(=O)CCCCO MCULE-2443996181 [0,2,0,0,0,0|1,0,0]=3 3258 B8R0.6 COC(=O)CCCCS MCULE-5194099368 [0,2,0,0,0,0|1,0,0]=3 3259 B8R0.6 COC(=O)CCCON MCULE-1522874324 [0,2,0,0,0,0|1,1,0]=4 3260 B8R0.6 COC(=O)CCCON MCULE-4748610058 [0,2,0,0,0,0|1,1,0]=4 3261 B8R0.6 COC(=O)CCCSC MCULE-7320944174 [0,2,0,0,0,0|0,0,0]=2 3262 B8R0.6 COC(=O)CCN=C=O MCULE-8282687885 [0,2,0,0,0,0|1,0,1]=4 3263 B8R0.6 COC(=O)CCN=C=S MCULE-4255379915 [0,2,0,0,0,0|1,0,1]=4 3264 B8R0.6 COC(=O)CCN=N#N MCULE-9952679830 [0,2,0,0,0,0|2,0,0]=4 3265 B8R0.6 COC(=O)CCNC=O MCULE-2214149264 [0,2,0,0,0,0|1,0,1]=4 3266 B8R0.6 COC(=O)CNCC#N MCULE-4088324466 [0,2,0,0,0,0|2,0,0]=4 3267 B8R0.6 COC(=O)COCCCl MCULE-4344602258 [0,2,0,0,0,0|2,0,0]=4 3268 B8R0.6 COC(=O)COCCN MCULE-5090944064 [0,2,0,0,0,0|2,0,0]=4 3269 B8R0.6 COC(=O)COCCN MCULE-6748820855 [0,2,0,0,0,0|2,0,0]=4 3270 B8R0.6 COC(=O)COCCO MCULE-7869619911 [0,2,0,0,0,0|2,0,0]=4 3271 B8R0.6 COC(=O)CSCC#N MCULE-9919146652 [0,2,0,0,0,0|2,0,0]=4 3272 B8R0.6 COC(=O)CSCCN MCULE-5578128958 [0,2,0,0,0,0|2,0,0]=4 3273 B8R0.6 COC(=O)CSCCN MCULE-6891143571 [0,2,0,0,0,0|2,0,0]=4 3274 B8R0.6 COC(=O)NCCC#N MCULE-9903533731 [0,2,0,0,0,0|2,0,0]=4 3275 B8R0.6 COC/C=C/C(=O)OC MCULE-5611593935 [0,2,0,0,0,0|0,1,1]=4 3276 B8R0.6 COCC=CC(=O)OC MCULE-1098723055 [0,2,0,0,0,0|0,1,1]=4 3277 B8R0.6 COCCCC(=O)OC MCULE-4109110804 [0,2,0,0,0,0|0,1,0]=3 3278 B8R0.6 COCCNC(=O)CBr MCULE-3132647741 [0,2,0,0,0,0|1,1,0]=4 3279 B8R0.6 COCCNC(=O)CCl MCULE-3082598915 [0,2,0,0,0,0|1,1,0]=4 3280 B8R0.6 COCCNC(=O)CN MCULE-6007531067 [0,2,0,0,0,0|1,1,0]=4 3281 B8R0.6 COCCNC(=O)CN MCULE-6629249444 [0,2,0,0,0,0|1,1,0]=4 3282 B8R0.6 COCCNC(=O)NN MCULE-8505538693 [0,2,0,0,0,0|1,1,0]=4 3283 B8R0.6 COCCOC(=O)CBr MCULE-3194439093 [0,2,0,0,0,0|1,1,0]=4 3284 B8R0.6 COCCOC(=O)CCl MCULE-1894420315 [0,2,0,0,0,0|1,1,0]=4 3285 B8R0.6 COCCOC(=O)CS MCULE-9869840399 [0,2,0,0,0,0|0,2,0]=4 3286 B8R0.6 CONCCC(=O)OC MCULE-8622619087 [0,2,0,0,0,0|0,1,0]=3 3287 B8R0.6 CSCCNC(=S)NN MCULE-7166891910 [0,2,0,0,0,0|1,1,0]=4 3288 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [0,2,0,0,0,0|1,0,1]=4 3289 B8R0.8 C#CCCC(O)C(=O)O MCULE-1983462487 [0,2,0,0,0,0|1,0,1]=4 3290 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [0,2,0,0,0,0|1,0,1]=4 3291 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [0,2,0,0,0,0|1,0,1]=4 3292 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [0,2,0,0,0,0|1,0,1]=4 3293 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [0,2,0,0,0,0|1,0,1]=4 3294 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [0,2,0,0,0,0|1,0,1]=4 3295 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [0,2,0,0,0,0|1,0,1]=4 3296 B8R0.8 C#CCOC(C)C(=O)O MCULE-7792481116 [0,2,0,0,0,0|1,0,1]=4 3297 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [0,2,0,0,0,0|2,0,0]=4 3298 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [0,2,0,0,0,0|2,0,0]=4 3299 B8R0.8 C=CCCC(=O)C(=O)O MCULE-8012003653 [0,2,0,0,0,0|1,0,1]=4 3300 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [0,2,0,0,0,0|1,0,1]=4 3301 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [0,2,0,0,0,0|1,0,1]=4 3302 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [0,2,0,0,0,0|1,0,1]=4 3303 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [0,2,0,0,0,0|1,0,1]=4 3304 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [0,2,0,0,0,0|1,0,1]=4 3305 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [0,2,0,0,0,0|1,0,1]=4 3306 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [0,2,0,0,0,0|1,0,1]=4 3307 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [0,2,0,0,0,0|1,0,1]=4 3308 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [0,2,0,0,0,0|1,0,1]=4 3309 B8R0.8 C=CCOC(C)C(=O)O MCULE-4801958900 [0,2,0,0,0,0|1,0,1]=4 3310 B8R0.8 C=CCSC(C)C(=O)O MCULE-4683246165 [0,2,0,0,0,0|1,0,1]=4 3311 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [0,2,0,0,0,0|1,0,0]=3 3312 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [0,2,0,0,0,0|1,0,0]=3 3313 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [0,2,0,0,0,0|1,0,0]=3 3314 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [0,2,0,0,0,0|1,0,0]=3 3315 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [0,2,0,0,0,0|1,0,0]=3 3316 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [0,2,0,0,0,0|1,0,0]=3 3317 B8R0.8 CC(OCCN)C(=O)O MCULE-4117277894 [0,2,0,0,0,0|2,0,0]=4 3318 B8R0.8 CC(OCCN)C(=O)O MCULE-6407651037 [0,2,0,0,0,0|2,0,0]=4 3319 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [0,2,0,0,0,0|2,0,0]=4 3320 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [0,2,0,0,0,0|1,0,1]=4 3321 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [0,2,0,0,0,0|1,0,1]=4 3322 B8R0.8 CCCCC(=O)C(=O)C MCULE-5957201570 [0,2,0,0,0,0|1,0,1]=4 3323 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [0,2,0,0,0,0|1,0,0]=3 3324 B8R0.8 CCCCC(=O)C(=O)[O-] MCULE-4575533706 [0,2,0,0,0,0|1,0,1]=4 3325 B8R0.8 CCCCC(=O)C(C)C MCULE-1905176805 [0,2,0,0,0,0|2,0,0]=4 3326 B8R0.8 CCCCC(=O)C(C)N MCULE-1316684028 [0,2,0,0,0,0|2,0,0]=4 3327 B8R0.8 CCCCC(=O)C(C)N MCULE-1846818051 [0,2,0,0,0,0|2,0,0]=4 3328 B8R0.8 CCCCC(=O)C(C)N MCULE-6223994385 [0,2,0,0,0,0|2,0,0]=4 3329 B8R0.8 CCCCC(=O)C(C)N MCULE-8594054065 [0,2,0,0,0,0|2,0,0]=4 3330 B8R0.8 CCCCC(=O)N(C)C MCULE-1521248911 [0,2,0,0,0,0|2,0,0]=4 3331 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-4202397833 [0,2,0,0,0,0|2,0,0]=4 3332 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-8156418445 [0,2,0,0,0,0|2,0,0]=4 3333 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-8186118680 [0,2,0,0,0,0|2,0,0]=4 3334 B8R0.8 CCCCC(=O)[C@H](C)N MCULE-9214507863 [0,2,0,0,0,0|2,0,0]=4 3335 B8R0.8 CCCCC(Br)C(=O)N MCULE-9831415558 [0,2,0,0,0,0|2,0,0]=4 3336 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [0,2,0,0,0,0|1,0,0]=3 3337 B8R0.8 CCCCC(C)C(=O)C MCULE-2303839464 [0,2,0,0,0,0|2,0,0]=4 3338 B8R0.8 CCCCC(C)C(=O)Cl MCULE-1718383314 [0,2,0,0,0,0|2,0,0]=4 3339 B8R0.8 CCCCC(C)C(=O)N MCULE-6062124512 [0,2,0,0,0,0|2,0,0]=4 3340 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,2,0,0,0,0|1,0,0]=3 3341 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [0,2,0,0,0,0|1,0,0]=3 3342 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [0,2,0,0,0,0|2,0,0]=4 3343 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [0,2,0,0,0,0|2,0,0]=4 3344 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,2,0,0,0,0|1,0,0]=3 3345 B8R0.8 CCCCC(O)C(=O)N MCULE-1063256537 [0,2,0,0,0,0|1,0,1]=4 3346 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [0,2,0,0,0,0|1,0,0]=3 3347 B8R0.8 CCCCN(C)C(=O)Cl MCULE-6884962631 [0,2,0,0,0,0|2,0,0]=4 3348 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,2,0,0,0,0|1,0,0]=3 3349 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,2,0,0,0,0|1,0,0]=3 3350 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,2,0,0,0,0|1,0,0]=3 3351 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,2,0,0,0,0|1,0,0]=3 3352 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,2,0,0,0,0|1,0,0]=3 3353 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [0,2,0,0,0,0|2,0,0]=4 3354 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [0,2,0,0,0,0|2,0,0]=4 3355 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [0,2,0,0,0,0|2,0,0]=4 3356 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [0,2,0,0,0,0|2,0,0]=4 3357 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,2,0,0,0,0|1,0,0]=3 3358 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,2,0,0,0,0|1,0,0]=3 3359 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [0,2,0,0,0,0|1,0,1]=4 3360 B8R0.8 CCCOC(=O)C(C)O MCULE-8240669472 [0,2,0,0,0,0|2,0,0]=4 3361 B8R0.8 CCCOC(=O)[C@H](C)O MCULE-4150275631 [0,2,0,0,0,0|2,0,0]=4 3362 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [0,2,0,0,0,0|1,0,0]=3 3363 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [0,2,0,0,0,0|1,0,0]=3 3364 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [0,2,0,0,0,0|1,0,0]=3 3365 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [0,2,0,0,0,0|0,1,0]=3 3366 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [0,2,0,0,0,0|0,1,0]=3 3367 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [0,2,0,0,0,0|0,1,0]=3 3368 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [0,2,0,0,0,0|0,1,0]=3 3369 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [0,2,0,0,0,0|0,1,0]=3 3370 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,2,0,0,0,0|0,0,0]=2 3371 B8R0.8 CNCCC(=O)N(C)C MCULE-6256018690 [0,2,0,0,0,0|2,0,0]=4 3372 B8R0.8 CNCCC(=O)N(C)C MCULE-9074335618 [0,2,0,0,0,0|2,0,0]=4 3373 B8R0.8 CNCCN(C)C(=O)C MCULE-7429681700 [0,2,0,0,0,0|2,0,0]=4 3374 B8R0.8 COCCC(=O)C(C)C MCULE-8480801762 [0,2,0,0,0,0|1,1,0]=4 3375 B8R0.8 COCCC(=O)N(C)C MCULE-3658554853 [0,2,0,0,0,0|1,1,0]=4 3376 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [0,2,0,0,0,0|0,1,0]=3 3377 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [0,2,0,0,0,0|1,1,0]=4 3378 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [0,2,0,0,0,0|1,1,0]=4 3379 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [0,2,0,0,0,0|0,1,0]=3 3380 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [0,2,0,0,0,0|0,1,0]=3 3381 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [0,2,0,0,0,0|0,1,0]=3 3382 B8R0.8 CSCCC(=O)C(=O)O MCULE-6752350933 [0,2,0,0,0,0|0,0,0]=2 3383 B8R0.8 CSCCC(=O)C(=O)[O-] MCULE-4931776455 [0,2,0,0,0,0|0,0,1]=3 3384 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [0,2,0,0,0,0|1,0,0]=3 3385 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [0,2,0,0,0,0|1,0,0]=3 3386 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [0,2,0,0,0,0|1,0,0]=3 3387 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [0,2,0,0,0,0|1,0,0]=3 3388 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [0,2,0,0,0,0|0,0,0]=2 3389 B8R0.8 CSCCC(O)C(=O)N MCULE-9019971815 [0,2,0,0,0,0|0,0,1]=3 3390 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [0,2,0,0,0,0|0,0,0]=2 3391 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [0,2,0,0,0,0|0,0,0]=2 3392 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [0,2,0,0,0,0|0,0,0]=2 3393 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [0,2,0,0,0,0|0,0,1]=3 3394 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [0,2,0,0,0,0|0,0,1]=3 3395 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [0,2,0,0,0,0|1,0,0]=3 3396 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [0,2,0,0,0,0|1,0,0]=3 3397 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [0,2,0,0,0,0|1,0,0]=3 3398 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [0,2,0,0,0,0|1,0,0]=3 3399 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [0,2,0,0,0,0|0,0,0]=2 3400 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [0,2,0,0,0,0|0,0,0]=2 3401 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [0,2,0,0,0,0|0,0,0]=2 3402 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [0,2,0,0,0,0|0,1,0]=3 3403 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [0,2,0,0,0,0|0,1,0]=3 3404 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [0,2,0,0,0,0|0,1,0]=3 3405 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [0,2,0,0,0,0|1,0,0]=3 3406 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [0,2,0,0,0,0|1,0,0]=3 3407 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [0,2,0,0,0,0|1,0,0]=3 3408 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [0,2,0,0,0,0|1,0,0]=3 3409 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [0,2,0,0,0,0|1,0,0]=3 3410 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [0,2,0,0,0,0|1,0,0]=3 3411 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [0,2,0,0,0,0|1,0,0]=3 3412 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [0,2,0,0,0,0|1,0,0]=3 3413 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [0,2,0,0,0,0|1,0,0]=3 3414 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [0,2,0,0,0,0|1,0,0]=3 3415 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [0,2,0,0,0,0|1,0,0]=3 3416 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [0,2,0,0,0,0|1,0,0]=3 3417 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [0,2,0,0,0,0|1,0,0]=3 3418 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [0,2,0,0,0,0|1,0,0]=3 3419 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [0,2,0,0,0,0|1,0,0]=3 3420 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [0,2,0,0,0,0|1,0,0]=3 3421 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [0,2,0,0,0,0|1,0,0]=3 3422 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [0,2,0,0,0,0|1,1,0]=4 3423 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [0,2,0,0,0,0|1,1,0]=4 3424 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [0,2,0,0,0,0|1,1,0]=4 3425 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [0,2,0,0,0,0|1,1,0]=4 3426 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [0,2,0,0,0,0|1,0,0]=3 3427 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [0,2,0,0,0,0|1,0,0]=3 3428 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [0,2,0,0,0,0|1,0,0]=3 3429 B8R0.8 O=C([O-])C(O)CCCO MCULE-5137868319 [0,2,0,0,0,0|1,0,1]=4 3430 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [0,2,0,0,0,0|1,0,1]=4 3431 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [0,2,0,0,0,0|1,1,0]=4 3432 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4562460888 [0,2,0,0,0,0|2,0,0]=4 3433 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4736712462 [0,2,0,0,0,0|2,0,0]=4 3434 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-6764345986 [0,2,0,0,0,0|2,0,0]=4 3435 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-1901194070 [0,2,0,0,0,0|2,0,0]=4 3436 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-2129950967 [0,2,0,0,0,0|2,0,0]=4 3437 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-4531641107 [0,2,0,0,0,0|2,0,0]=4 3438 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-9554569949 [0,2,0,0,0,0|2,0,0]=4 3439 B8R0.8 [N-]=[N+]=NC[C@H](O)C(=O)O MCULE-8751271425 [0,2,0,0,0,0|2,0,0]=4 3440 B8R0.9 C/C(=N\O)/CCC(C)C MCULE-6160318624 [0,2,0,0,0,0|2,0,0]=4 3441 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,2,0,0,0,0|1,0,1]=4 3442 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,2,0,0,0,0|1,0,1]=4 3443 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,2,0,0,0,0|1,0,1]=4 3444 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,2,0,0,0,0|1,0,1]=4 3445 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,2,0,0,0,0|1,0,1]=4 3446 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,2,0,0,0,0|1,0,1]=4 3447 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,2,0,0,0,0|1,0,0]=3 3448 B8R0.9 CC(=NO)CCC(C)C MCULE-1275882348 [0,2,0,0,0,0|2,0,0]=4 3449 B8R0.9 CC(=O)CCN(C)N=O MCULE-9992314796 [0,2,0,0,0,0|2,0,0]=4 3450 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [0,2,0,0,0,0|1,0,0]=3 3451 B8R0.9 CC(C)CC/C(=N/O)/N MCULE-5971141379 [0,2,0,0,0,0|2,0,0]=4 3452 B8R0.9 CC(C)CCC(=O)CCl MCULE-7122163926 [0,2,0,0,0,0|2,0,0]=4 3453 B8R0.9 CC(C)CCC(=O)CN MCULE-2601333978 [0,2,0,0,0,0|2,0,0]=4 3454 B8R0.9 CC(C)CCC(=O)CN MCULE-9600279855 [0,2,0,0,0,0|2,0,0]=4 3455 B8R0.9 CC(CCl)CCC(=O)Cl MCULE-3716923938 [0,2,0,0,0,0|2,0,0]=4 3456 B8R0.9 CC(O)CCC(=O)NN MCULE-3743680204 [0,2,0,0,0,0|2,0,0]=4 3457 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,2,0,0,0,0|1,0,1]=4 3458 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [0,2,0,0,0,0|2,0,0]=4 3459 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,2,0,0,0,0|1,0,0]=3 3460 B8R0.9 CCC(=O)CCC(C)C MCULE-3065298823 [0,2,0,0,0,0|2,0,0]=4 3461 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,2,0,0,0,0|1,0,1]=4 3462 B8R0.9 CCC(C)CCC(=O)C MCULE-6498666006 [0,2,0,0,0,0|2,0,0]=4 3463 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,2,0,0,0,0|1,0,0]=3 3464 B8R0.9 CCC(C)COC(=O)C MCULE-1846190306 [0,2,0,0,0,0|2,0,0]=4 3465 B8R0.9 CCC(C)COC(=O)Cl MCULE-7986633908 [0,2,0,0,0,0|2,0,0]=4 3466 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,2,0,0,0,0|1,0,0]=3 3467 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,2,0,0,0,0|1,0,0]=3 3468 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,2,0,0,0,0|1,0,0]=3 3469 B8R0.9 CCC(Cl)CCC(=O)Cl MCULE-3849391288 [0,2,0,0,0,0|2,0,0]=4 3470 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,2,0,0,0,0|1,0,0]=3 3471 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,2,0,0,0,0|1,0,0]=3 3472 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,2,0,0,0,0|1,0,0]=3 3473 B8R0.9 CCC(O)CCC(=O)[O-] MCULE-6831827135 [0,2,0,0,0,0|1,0,1]=4 3474 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,2,0,0,0,0|1,0,0]=3 3475 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,2,0,0,0,0|1,0,0]=3 3476 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,2,0,0,0,0|0,0,1]=3 3477 B8R0.9 CC[C@H](N)C=CC(=O)O MCULE-8933495159 [0,2,0,0,0,0|1,0,1]=4 3478 B8R0.9 CN(C)CCC(=N)NO MCULE-1944835368 [0,2,0,0,0,0|2,0,0]=4 3479 B8R0.9 CN(C)CCC(=O)NN MCULE-5716266931 [0,2,0,0,0,0|2,0,0]=4 3480 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,2,0,0,0,0|1,0,0]=3 3481 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,2,0,0,0,0|1,0,1]=4 3482 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [0,2,0,0,0,0|1,0,0]=3 3483 B8R0.9 COC(=O)CCC(=O)Cl MCULE-2684320402 [0,2,0,0,0,0|1,1,0]=4 3484 B8R0.9 COC(=O)CCC(=O)N MCULE-1154081515 [0,2,0,0,0,0|1,1,0]=4 3485 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,2,0,0,0,0|0,1,0]=3 3486 B8R0.9 COC(=O)CCC(=S)N MCULE-4037707510 [0,2,0,0,0,0|2,0,0]=4 3487 B8R0.9 COC(=O)CCC(F)F MCULE-4602374642 [0,2,0,0,0,0|2,0,0]=4 3488 B8R0.9 COC(=O)CCN(=O)=O MCULE-3836108700 [0,2,0,0,0,0|2,0,0]=4 3489 B8R0.9 COC(=O)CCN(C)C MCULE-5967397518 [0,2,0,0,0,0|1,0,0]=3 3490 B8R0.9 COC(=O)CCS(=O)O MCULE-4935012562 [0,2,0,0,0,0|1,0,1]=4 3491 B8R0.9 COC(=O)CCS(=O)[O-] MCULE-5802411922 [0,2,0,0,0,0|1,0,1]=4 3492 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [0,2,0,0,0,0|2,0,0]=4 3493 B8R0.9 COC(=O)CNC(C)C MCULE-7232154394 [0,2,0,0,0,0|2,0,0]=4 3494 B8R0.9 COC(=O)COC(C)C MCULE-8327092817 [0,2,0,0,0,0|2,0,0]=4 3495 B8R0.9 COC(=O)CSC(C)C MCULE-9054714022 [0,2,0,0,0,0|2,0,0]=4 3496 B8R0.9 COC(=O)NCC(=O)C MCULE-1043877696 [0,2,0,0,0,0|2,0,0]=4 3497 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,2,0,0,0,0|0,1,1]=4 3498 B8R0.9 COC(=O)NCC(C)O MCULE-3862167665 [0,2,0,0,0,0|2,0,0]=4 3499 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,2,0,0,0,0|0,1,0]=3 3500 B8R0.9 COC(C)COC(=O)C MCULE-7948047479 [0,2,0,0,0,0|1,1,0]=4 3501 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [0,2,0,0,0,0|0,0,0]=2 3502 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,2,0,0,0,0|1,0,0]=3 3503 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,2,0,0,0,0|1,0,0]=3 3504 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,2,0,0,0,0|1,0,0]=3 3505 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,2,0,0,0,0|2,0,0]=4 3506 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,2,0,0,0,0|2,0,0]=4 3507 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,2,0,0,0,0|1,0,0]=3 3508 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,2,0,0,0,0|1,0,0]=3 3509 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,2,0,0,0,0|1,0,0]=3 3510 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,2,0,0,0,0|2,0,0]=4 3511 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,2,0,0,0,0|2,0,0]=4 3512 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,2,0,0,0,0|1,0,0]=3 3513 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,2,0,0,0,0|1,0,0]=3 3514 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,2,0,0,0,0|1,0,0]=3 3515 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [0,2,0,0,0,0|2,0,0]=4 3516 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,2,0,0,0,0|1,0,0]=3 3517 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,2,0,0,0,0|2,0,0]=4 3518 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,2,0,0,0,0|2,0,0]=4 3519 B8R0.11 COC(C#N)CCSC MCULE-9976329021 [0,2,0,0,0,0|1,0,1]=4 3520 B8R0.11 COC(CCSC)OC MCULE-3069805433 [0,2,0,0,0,0|0,0,2]=4 3521 B8R0.11 COC(CN)CCSC MCULE-1834354805 [0,2,0,0,0,0|1,0,1]=4 3522 B8R0.25 CSCCC(C)(O)CN MCULE-4478297926 [0,2,0,0,0,0|1,0,1]=4 3523 B8R0.7 C#CCCCCC(=O)O MCULE-5828767633 [0,2,0,0,0,0|1,0,0]=3 3524 B8R0.7 C#CCCOCC(=O)O MCULE-5200842540 [0,2,0,0,0,0|1,0,1]=4 3525 B8R0.7 C#CCOCCC(=O)O MCULE-9710662304 [0,2,0,0,0,0|0,1,0]=3 3526 B8R0.7 C=CCCCCC(=O)C MCULE-4268619428 [0,2,0,0,0,0|2,0,0]=4 3527 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [0,2,0,0,0,0|1,0,0]=3 3528 B8R0.7 C=CCCNCC(=O)O MCULE-7775351645 [0,2,0,0,0,0|1,0,1]=4 3529 B8R0.7 C=CCCOCC(=O)O MCULE-8626594933 [0,2,0,0,0,0|1,0,1]=4 3530 B8R0.7 C=CCNCCC(=O)N MCULE-4087711448 [0,2,0,0,0,0|2,0,0]=4 3531 B8R0.7 C=CCOCCC(=O)O MCULE-6102747899 [0,2,0,0,0,0|0,1,0]=3 3532 B8R0.7 CC#CCCCC(=O)C MCULE-4297141774 [0,2,0,0,0,0|2,0,0]=4 3533 B8R0.7 CC#CCCCC(=O)O MCULE-2531382210 [0,2,0,0,0,0|1,0,0]=3 3534 B8R0.7 CC(=O)CCCCC#N MCULE-2841814511 [0,2,0,0,0,0|2,0,0]=4 3535 B8R0.7 CC(=O)CCCCCBr MCULE-8946921118 [0,2,0,0,0,0|2,0,0]=4 3536 B8R0.7 CC(=O)CCCCCN MCULE-3568024595 [0,2,0,0,0,0|2,0,0]=4 3537 B8R0.7 CC(=O)CCCCCN MCULE-9938894581 [0,2,0,0,0,0|2,0,0]=4 3538 B8R0.7 CC(=O)NCCCCN MCULE-6666803790 [0,2,0,0,0,0|2,0,0]=4 3539 B8R0.7 CC(=O)NCCCCN MCULE-8971714473 [0,2,0,0,0,0|2,0,0]=4 3540 B8R0.7 CC(=O)NCCCCO MCULE-5119895862 [0,2,0,0,0,0|2,0,0]=4 3541 B8R0.7 CC(=O)OCCCCBr MCULE-6081921662 [0,2,0,0,0,0|2,0,0]=4 3542 B8R0.7 CC(=O)OCCCCCl MCULE-3999602136 [0,2,0,0,0,0|2,0,0]=4 3543 B8R0.7 CC(=O)OCCCCI MCULE-6699791525 [0,2,0,0,0,0|2,0,0]=4 3544 B8R0.7 CC(=O)OCCCCO MCULE-7064721476 [0,2,0,0,0,0|2,0,0]=4 3545 B8R0.7 CC(=O)OCCOCCl MCULE-2565061276 [0,2,0,0,0,0|1,1,0]=4 3546 B8R0.7 CC(=O)SCCCCBr MCULE-1636667997 [0,2,0,0,0,0|2,0,0]=4 3547 B8R0.7 CC(=O)SCCCCN MCULE-2425585672 [0,2,0,0,0,0|2,0,0]=4 3548 B8R0.7 CC(=O)SCCCCN MCULE-9899884734 [0,2,0,0,0,0|2,0,0]=4 3549 B8R0.7 CC=CCCCC(=O)C MCULE-7957571875 [0,2,0,0,0,0|2,0,0]=4 3550 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [0,2,0,0,0,0|1,0,0]=3 3551 B8R0.7 CCCC/C=C/C(=O)C MCULE-1532446839 [0,2,0,0,0,0|2,0,0]=4 3552 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [0,2,0,0,0,0|1,0,0]=3 3553 B8R0.7 CCCC=CCC(=O)O MCULE-3879649411 [0,2,0,0,0,0|1,0,0]=3 3554 B8R0.7 CCCCC#CC(=O)O MCULE-4160128187 [0,2,0,0,0,0|1,0,0]=3 3555 B8R0.7 CCCCC=CC(=O)C MCULE-6026245958 [0,2,0,0,0,0|2,0,0]=4 3556 B8R0.7 CCCCC=CC(=O)Cl MCULE-3883159938 [0,2,0,0,0,0|2,0,0]=4 3557 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [0,2,0,0,0,0|1,0,0]=3 3558 B8R0.7 CCCCCCC(=O)C MCULE-1152821440 [0,2,0,0,0,0|2,0,0]=4 3559 B8R0.7 CCCCCCC(=O)Cl MCULE-8559884798 [0,2,0,0,0,0|2,0,0]=4 3560 B8R0.7 CCCCCCC(=O)N MCULE-1210996881 [0,2,0,0,0,0|2,0,0]=4 3561 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [0,2,0,0,0,0|1,0,0]=3 3562 B8R0.7 CCCCCCC(=O)[O-] MCULE-1711655800 [0,2,0,0,0,0|1,0,1]=4 3563 B8R0.7 CCCCCNC(=O)N MCULE-3139270247 [0,2,0,0,0,0|2,0,0]=4 3564 B8R0.7 CCCCCOC(=O)C MCULE-4911325533 [0,2,0,0,0,0|2,0,0]=4 3565 B8R0.7 CCCCCOC(=O)Cl MCULE-2896207255 [0,2,0,0,0,0|2,0,0]=4 3566 B8R0.7 CCCCNCC(=O)N MCULE-1276341431 [0,2,0,0,0,0|2,0,0]=4 3567 B8R0.7 CCCCNCC(=O)N MCULE-6579402071 [0,2,0,0,0,0|2,0,0]=4 3568 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [0,2,0,0,0,0|1,0,0]=3 3569 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [0,2,0,0,0,0|1,0,0]=3 3570 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [0,2,0,0,0,0|1,0,0]=3 3571 B8R0.7 CCCNCCC(=O)N MCULE-2654608736 [0,2,0,0,0,0|2,0,0]=4 3572 B8R0.7 CCCNCCC(=O)N MCULE-2683588523 [0,2,0,0,0,0|2,0,0]=4 3573 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [0,2,0,0,0,0|1,0,0]=3 3574 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [0,2,0,0,0,0|1,0,0]=3 3575 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [0,2,0,0,0,0|0,1,0]=3 3576 B8R0.7 CCCSC=CC(=O)O MCULE-3074287995 [0,2,0,0,0,0|0,0,2]=4 3577 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [0,2,0,0,0,0|0,0,0]=2 3578 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [0,2,0,0,0,0|1,0,0]=3 3579 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [0,2,0,0,0,0|1,0,0]=3 3580 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [0,2,0,0,0,0|0,1,0]=3 3581 B8R0.7 CCOCCNC(=O)N MCULE-7568793312 [0,2,0,0,0,0|1,1,0]=4 3582 B8R0.7 CCOCCOC(=O)C MCULE-3053452981 [0,2,0,0,0,0|1,1,0]=4 3583 B8R0.7 CCOCCOC(=O)Cl MCULE-9683410173 [0,2,0,0,0,0|1,1,0]=4 3584 B8R0.7 CCSCCSC(=N)N MCULE-7457408043 [0,2,0,0,0,0|2,0,0]=4 3585 B8R0.7 CCSCCSC(=N)N MCULE-8427297147 [0,2,0,0,0,0|2,0,0]=4 3586 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [0,2,0,0,0,0|1,0,0]=3 3587 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [0,2,0,0,0,0|1,0,0]=3 3588 B8R0.7 CNCCCNC(=O)C MCULE-2682619502 [0,2,0,0,0,0|2,0,0]=4 3589 B8R0.7 CNCCCNC(=O)C MCULE-3477977807 [0,2,0,0,0,0|2,0,0]=4 3590 B8R0.7 CNCCOCC(=O)O MCULE-5408672373 [0,2,0,0,0,0|1,0,0]=3 3591 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [0,2,0,0,0,0|0,1,0]=3 3592 B8R0.7 COCCCNC(=O)C MCULE-4149128250 [0,2,0,0,0,0|1,1,0]=4 3593 B8R0.7 COCCCNC(=O)N MCULE-4038737956 [0,2,0,0,0,0|1,1,0]=4 3594 B8R0.7 COCCNCC(=O)N MCULE-2300508230 [0,2,0,0,0,0|1,1,0]=4 3595 B8R0.7 COCCNCC(=O)N MCULE-7059174365 [0,2,0,0,0,0|1,1,0]=4 3596 B8R0.7 COCCNCC(=O)O MCULE-2703110743 [0,2,0,0,0,0|0,1,0]=3 3597 B8R0.7 COCCNCC(=O)O MCULE-5854004501 [0,2,0,0,0,0|0,1,0]=3 3598 B8R0.7 COCCOCC(=O)C MCULE-5956367525 [0,2,0,0,0,0|1,1,0]=4 3599 B8R0.7 COCCOCC(=O)Cl MCULE-9321414156 [0,2,0,0,0,0|1,1,0]=4 3600 B8R0.7 COCCOCC(=O)N MCULE-8987780803 [0,2,0,0,0,0|1,1,0]=4 3601 B8R0.7 COCCOCC(=O)O MCULE-2561278418 [0,2,0,0,0,0|0,1,0]=3 3602 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [0,2,0,0,0,0|0,1,0]=3 3603 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [0,2,0,0,0,0|0,0,0]=2 3604 B8R0.7 CSCCCOC(=O)C MCULE-4403232519 [0,2,0,0,0,0|1,0,0]=3 3605 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [0,2,0,0,0,0|0,0,0]=2 3606 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [0,2,0,0,0,0|0,0,0]=2 3607 B8R0.7 CSCCOCC(=O)O MCULE-2038020159 [0,2,0,0,0,0|0,0,0]=2 3608 B8R0.7 CSSCCCC(=O)O MCULE-7947744639 [0,2,0,0,0,0|0,0,0]=2 3609 B8R0.7 N#CCCCCC(=O)N MCULE-7791035164 [0,2,0,0,0,0|2,0,0]=4 3610 B8R0.7 N#CCCCCC(=O)O MCULE-1900756226 [0,2,0,0,0,0|1,0,0]=3 3611 B8R0.7 N#CCCNCC(=O)O MCULE-9226456604 [0,2,0,0,0,0|1,0,1]=4 3612 B8R0.7 N#N=NCCCC(=O)O MCULE-1397586704 [0,2,0,0,0,0|2,0,0]=4 3613 B8R0.7 NC(=O)CCCCCBr MCULE-6938202710 [0,2,0,0,0,0|2,0,0]=4 3614 B8R0.7 NC(=O)CCCCCO MCULE-2654184294 [0,2,0,0,0,0|2,0,0]=4 3615 B8R0.7 NC(=O)CCNCCS MCULE-4682566242 [0,2,0,0,0,0|2,0,0]=4 3616 B8R0.7 NCCCCCC(=O)N MCULE-1692086577 [0,2,0,0,0,0|2,0,0]=4 3617 B8R0.7 NCCCCCC(=O)N MCULE-2191237198 [0,2,0,0,0,0|2,0,0]=4 3618 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [0,2,0,0,0,0|1,0,0]=3 3619 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [0,2,0,0,0,0|1,0,0]=3 3620 B8R0.7 NCCCCCC(=O)[O-] MCULE-7336458907 [0,2,0,0,0,0|1,0,1]=4 3621 B8R0.7 NCCCCNC(=O)N MCULE-6339634491 [0,2,0,0,0,0|2,0,0]=4 3622 B8R0.7 NCCCCNC(=O)N MCULE-8210849027 [0,2,0,0,0,0|2,0,0]=4 3623 B8R0.7 NCCCNCC(=O)O MCULE-6526080048 [0,2,0,0,0,0|1,0,0]=3 3624 B8R0.7 NCCCNCC(=O)O MCULE-6762903438 [0,2,0,0,0,0|1,0,0]=3 3625 B8R0.7 NCCCOCC(=O)O MCULE-6428539436 [0,2,0,0,0,0|1,0,0]=3 3626 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [0,2,0,0,0,0|1,0,0]=3 3627 B8R0.7 NCCNCCC(=O)[O-] MCULE-8896439746 [0,2,0,0,0,0|1,0,1]=4 3628 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [0,2,0,0,0,0|0,1,0]=3 3629 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [0,2,0,0,0,0|0,1,0]=3 3630 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [0,2,0,0,0,0|0,0,0]=2 3631 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [0,2,0,0,0,0|1,0,0]=3 3632 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [0,2,0,0,0,0|1,0,0]=3 3633 B8R0.7 O=C(Cl)CCCCCBr MCULE-4314610726 [0,2,0,0,0,0|2,0,0]=4 3634 B8R0.7 O=C(Cl)CCCCCCl MCULE-4526081631 [0,2,0,0,0,0|2,0,0]=4 3635 B8R0.7 O=C(Cl)OCCCCCl MCULE-4992919323 [0,2,0,0,0,0|2,0,0]=4 3636 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [0,2,0,0,0,0|1,0,0]=3 3637 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [0,2,0,0,0,0|1,0,0]=3 3638 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [0,2,0,0,0,0|1,0,0]=3 3639 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [0,2,0,0,0,0|1,0,0]=3 3640 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [0,2,0,0,0,0|1,0,0]=3 3641 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [0,2,0,0,0,0|1,0,0]=3 3642 B8R0.7 O=C(O)CCOCCBr MCULE-8991363781 [0,2,0,0,0,0|0,1,0]=3 3643 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [0,2,0,0,0,0|0,1,0]=3 3644 B8R0.7 O=C(O)CCOCCS MCULE-2136117046 [0,2,0,0,0,0|0,1,0]=3 3645 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [0,2,0,0,0,0|0,0,0]=2 3646 B8R0.7 O=C(O)COCCCBr MCULE-2393807719 [0,2,0,0,0,0|1,0,0]=3 3647 B8R0.7 O=C([O-])CCCCCCl MCULE-7341419838 [0,2,0,0,0,0|1,0,1]=4 3648 B8R0.7 O=C([O-])CCCCCO MCULE-5897469112 [0,2,0,0,0,0|1,0,1]=4 3649 B8R0.7 O=C([O-])CCCCCO MCULE-9397608140 [0,2,0,0,0,0|1,0,1]=4 3650 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [0,2,0,0,0,0|1,0,0]=3 3651 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [0,2,0,0,0,0|1,0,1]=4 3652 B8R0.21 CCCCCS(=O)(=O)O MCULE-3941343492 [0,2,0,0,0,0|2,0,0]=4 3653 B8R0.21 CCCCNS(=O)(=O)O MCULE-9277142869 [0,2,0,0,0,0|2,0,0]=4 3654 B8R0.21 CCCCOP(=O)(O)O MCULE-7637624598 [0,2,0,0,0,0|2,0,0]=4 3655 B8R0.21 COCCCS(=O)(=O)O MCULE-2207949915 [0,2,0,0,0,0|1,1,0]=4 3656 B8R0.21 NCCCCP(=O)(O)O MCULE-2632534074 [0,2,0,0,0,0|2,0,0]=4 3657 B8R0.21 O=P(O)(O)CCCCBr MCULE-5686227952 [0,2,0,0,0,0|2,0,0]=4 3658 B8R0.21 O=S(=O)(O)CCCCO MCULE-7293075600 [0,2,0,0,0,0|2,0,0]=4 3659 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,2,0,0,0,0|1,0,1]=4 3660 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,2,0,0,0,0|1,0,0]=3 3661 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,2,0,0,0,0|1,0,1]=4 3662 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,2,0,0,0,0|1,0,0]=3 3663 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,2,0,0,0,0|1,0,1]=4 3664 B8R0.28 CC(=O)CCC=C(C)C MCULE-3832720881 [0,2,0,0,0,0|2,0,0]=4 3665 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,2,0,0,0,0|2,0,0]=4 3666 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,2,0,0,0,0|2,0,0]=4 3667 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,2,0,0,0,0|1,0,0]=3 3668 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [0,2,0,0,0,0|2,0,0]=4 3669 B8R0.28 CC(=O)CCCN(C)C MCULE-8876627134 [0,2,0,0,0,0|2,0,0]=4 3670 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [0,2,0,0,0,0|1,1,0]=4 3671 B8R0.28 CC(=O)CCOC(C)C MCULE-5907441510 [0,2,0,0,0,0|1,1,0]=4 3672 B8R0.28 CC(=O)CNCC(C)C MCULE-3943786157 [0,2,0,0,0,0|2,0,0]=4 3673 B8R0.28 CC(=O)CNCC(C)C MCULE-9329085422 [0,2,0,0,0,0|2,0,0]=4 3674 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [0,2,0,0,0,0|2,0,0]=4 3675 B8R0.28 CC(=O)CSCC(C)C MCULE-1710631404 [0,2,0,0,0,0|2,0,0]=4 3676 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,2,0,0,0,0|2,0,0]=4 3677 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,2,0,0,0,0|1,0,0]=3 3678 B8R0.28 CC(=O)NCCC(C)C MCULE-7572826846 [0,2,0,0,0,0|2,0,0]=4 3679 B8R0.28 CC(=O)NCCS(=O)C MCULE-1283027669 [0,2,0,0,0,0|1,0,1]=4 3680 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,2,0,0,0,0|0,1,0]=3 3681 B8R0.28 CC(=O)OCCC(C)C MCULE-3274854886 [0,2,0,0,0,0|2,0,0]=4 3682 B8R0.28 CC(=O)OCCN(C)C MCULE-2915953466 [0,2,0,0,0,0|2,0,0]=4 3683 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [0,2,0,0,0,0|1,0,0]=3 3684 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,2,0,0,0,0|0,0,0]=2 3685 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [0,2,0,0,0,0|1,0,1]=4 3686 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [0,2,0,0,0,0|1,0,1]=4 3687 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [0,2,0,0,0,0|1,0,1]=4 3688 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,2,0,0,0,0|1,0,0]=3 3689 B8R0.28 CC(C)CCNC(=O)N MCULE-7857218878 [0,2,0,0,0,0|2,0,0]=4 3690 B8R0.28 CC(C)CCOC(=O)Cl MCULE-1140125816 [0,2,0,0,0,0|2,0,0]=4 3691 B8R0.28 CC(C)CNCC(=O)N MCULE-6834225327 [0,2,0,0,0,0|2,0,0]=4 3692 B8R0.28 CC(C)CNCC(=O)N MCULE-8464570977 [0,2,0,0,0,0|2,0,0]=4 3693 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [0,2,0,0,0,0|1,0,0]=3 3694 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [0,2,0,0,0,0|1,0,0]=3 3695 B8R0.28 CC(C)COCC(=O)N MCULE-8148336060 [0,2,0,0,0,0|2,0,0]=4 3696 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [0,2,0,0,0,0|1,0,0]=3 3697 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [0,2,0,0,0,0|1,0,0]=3 3698 B8R0.28 CC(C)NCCC(=O)N MCULE-4812986605 [0,2,0,0,0,0|2,0,0]=4 3699 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [0,2,0,0,0,0|1,0,0]=3 3700 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [0,2,0,0,0,0|1,0,0]=3 3701 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [0,2,0,0,0,0|0,1,0]=3 3702 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [0,2,0,0,0,0|0,0,0]=2 3703 B8R0.28 CC(Cl)CCCC(=O)Cl MCULE-6993455396 [0,2,0,0,0,0|2,0,0]=4 3704 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,2,0,0,0,0|1,0,0]=3 3705 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [0,2,0,0,0,0|1,0,1]=4 3706 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2726508724 [0,2,0,0,0,0|1,0,1]=4 3707 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2945466855 [0,2,0,0,0,0|1,0,1]=4 3708 B8R0.28 CN(C)CC#CC(=O)O MCULE-3155038032 [0,2,0,0,0,0|1,0,1]=4 3709 B8R0.28 CN(C)CC#CC(=O)O MCULE-3234500613 [0,2,0,0,0,0|1,0,1]=4 3710 B8R0.28 CN(C)CC=CC(=O)O MCULE-5265576987 [0,2,0,0,0,0|1,0,1]=4 3711 B8R0.28 CN(C)CC=CC(=O)O MCULE-6262530852 [0,2,0,0,0,0|1,0,1]=4 3712 B8R0.28 CN(C)CCCC(=O)Cl MCULE-4211417336 [0,2,0,0,0,0|2,0,0]=4 3713 B8R0.28 CN(C)CCCC(=O)Cl MCULE-6854328742 [0,2,0,0,0,0|2,0,0]=4 3714 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,2,0,0,0,0|1,0,0]=3 3715 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,2,0,0,0,0|1,0,0]=3 3716 B8R0.28 CN(C)CCNC(=O)N MCULE-5420989663 [0,2,0,0,0,0|2,0,0]=4 3717 B8R0.28 CN(C)CCNC(=O)N MCULE-6784836791 [0,2,0,0,0,0|2,0,0]=4 3718 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,2,0,0,0,0|1,0,1]=4 3719 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,2,0,0,0,0|0,0,1]=3 3720 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,2,0,0,0,0|0,0,1]=3 3721 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [0,2,0,0,0,0|1,0,1]=4 3722 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,2,0,0,0,0|1,0,1]=4 3723 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,2,0,0,0,0|2,0,0]=4 3724 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,2,0,0,0,0|2,0,0]=4 3725 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,2,0,0,0,0|2,0,0]=4 3726 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,2,0,0,0,0|1,0,1]=4 3727 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,2,0,0,0,0|0,0,1]=3 3728 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,2,0,0,0,0|1,0,1]=4 3729 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [0,2,0,0,0,0|1,0,0]=3 3730 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,2,0,0,0,0|2,0,0]=4 3731 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,2,0,0,0,0|2,0,0]=4 3732 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,2,0,0,0,0|2,0,0]=4 3733 B8R0.28 O=C(O)COCC(F)F MCULE-2599944385 [0,2,0,0,0,0|2,0,0]=4 3734 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,2,0,0,0,0|2,0,0]=4 3735 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,2,0,0,0,0|2,0,0]=4 3736 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,2,0,0,0,0|2,0,0]=4 3737 B8R0.12 C#CCC(C)(C)C(=O)O MCULE-9823304703 [0,2,0,0,0,0|1,0,1]=4 3738 B8R0.12 C#CCC(C)(N)C(=O)O MCULE-8114982544 [0,2,0,0,0,0|1,0,1]=4 3739 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2326062849 [0,2,0,0,0,0|1,0,1]=4 3740 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2897598223 [0,2,0,0,0,0|1,0,1]=4 3741 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-6332359697 [0,2,0,0,0,0|1,0,1]=4 3742 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-9265618717 [0,2,0,0,0,0|1,0,1]=4 3743 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-2976528694 [0,2,0,0,0,0|1,0,1]=4 3744 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-7418052843 [0,2,0,0,0,0|1,0,1]=4 3745 B8R0.12 C=CCC(C)(C)C(=O)O MCULE-7428318853 [0,2,0,0,0,0|1,0,1]=4 3746 B8R0.12 C=CCC(C)(N)C(=O)O MCULE-7144199889 [0,2,0,0,0,0|1,0,1]=4 3747 B8R0.12 C=CCC(F)(F)C(=O)O MCULE-5503944687 [0,2,0,0,0,0|1,0,1]=4 3748 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-4753726738 [0,2,0,0,0,0|1,0,1]=4 3749 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-8270551752 [0,2,0,0,0,0|1,0,1]=4 3750 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-2471413685 [0,2,0,0,0,0|1,0,1]=4 3751 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-5595289174 [0,2,0,0,0,0|1,0,1]=4 3752 B8R0.12 CC(C)(CC#N)C(=O)O MCULE-5490055179 [0,2,0,0,0,0|2,0,0]=4 3753 B8R0.12 CC(C)(CCN)C(=O)O MCULE-2948071531 [0,2,0,0,0,0|2,0,0]=4 3754 B8R0.12 CC(C)(CCN)C(=O)O MCULE-9113980340 [0,2,0,0,0,0|2,0,0]=4 3755 B8R0.12 CC(C)(CCO)C(=O)O MCULE-1566648548 [0,2,0,0,0,0|2,0,0]=4 3756 B8R0.12 CC(N)(CCF)C(=O)O MCULE-5797177130 [0,2,0,0,0,0|2,0,0]=4 3757 B8R0.12 CC(N)(CCF)C(=O)O MCULE-9911119608 [0,2,0,0,0,0|2,0,0]=4 3758 B8R0.12 CCCC(C)(C)C(=O)C MCULE-3472590451 [0,2,0,0,0,0|2,0,0]=4 3759 B8R0.12 CCCC(C)(C)C(=O)Cl MCULE-1035499713 [0,2,0,0,0,0|2,0,0]=4 3760 B8R0.12 CCCC(C)(C)C(=O)O MCULE-7950118630 [0,2,0,0,0,0|1,0,0]=3 3761 B8R0.12 CCCC(C)(N)C(=O)O MCULE-3079931045 [0,2,0,0,0,0|1,0,0]=3 3762 B8R0.12 CCCC(C)(O)C(=O)N MCULE-5398805490 [0,2,0,0,0,0|2,0,0]=4 3763 B8R0.12 CCCC(C)(O)C(=O)O MCULE-5292180056 [0,2,0,0,0,0|1,0,0]=3 3764 B8R0.12 CCCC(F)(F)C(=O)O MCULE-9926038462 [0,2,0,0,0,0|1,0,0]=3 3765 B8R0.12 CCC[C@](C)(N)C(=O)O MCULE-8569302783 [0,2,0,0,0,0|1,0,0]=3 3766 B8R0.12 CCNC(C)(C)C(=O)O MCULE-5196592202 [0,2,0,0,0,0|2,0,0]=4 3767 B8R0.12 CCNC(C)(C)C(=O)O MCULE-7185239447 [0,2,0,0,0,0|2,0,0]=4 3768 B8R0.12 CCOC(C)(C)C(=O)O MCULE-7344066576 [0,2,0,0,0,0|2,0,0]=4 3769 B8R0.12 CNCC(C)(C)C(=O)O MCULE-1701621773 [0,2,0,0,0,0|1,0,0]=3 3770 B8R0.12 CNCC(C)(C)C(=O)O MCULE-7669976515 [0,2,0,0,0,0|1,0,0]=3 3771 B8R0.12 CNCC(F)(F)C(=O)O MCULE-3707622806 [0,2,0,0,0,0|1,0,0]=3 3772 B8R0.12 CNCC(F)(F)C(=O)O MCULE-4421374171 [0,2,0,0,0,0|1,0,0]=3 3773 B8R0.12 COCC(C)(C)C(=O)O MCULE-9074673500 [0,2,0,0,0,0|0,1,0]=3 3774 B8R0.12 COCC(C)(N)C(=O)N MCULE-3533018780 [0,2,0,0,0,0|1,1,0]=4 3775 B8R0.12 COCC(C)(N)C(=O)N MCULE-9747751712 [0,2,0,0,0,0|1,1,0]=4 3776 B8R0.12 COCC(C)(O)C(=O)O MCULE-7674892239 [0,2,0,0,0,0|0,1,0]=3 3777 B8R0.12 COCC(F)(F)C(=O)O MCULE-6981513055 [0,2,0,0,0,0|0,1,0]=3 3778 B8R0.12 CSCC(C)(C)C(=O)O MCULE-8010872211 [0,2,0,0,0,0|0,0,0]=2 3779 B8R0.12 NCCC(F)(F)C(=O)O MCULE-3814517866 [0,2,0,0,0,0|2,0,0]=4 3780 B8R0.15 C#CC(OCC)C(=O)O MCULE-4920328481 [0,2,0,0,0,0|2,0,0]=4 3781 B8R0.15 C=CCC(CC)C(=O)O MCULE-8599414655 [0,2,0,0,0,0|1,0,1]=4 3782 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [0,2,0,0,0,0|2,0,0]=4 3783 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [0,2,0,0,0,0|2,0,0]=4 3784 B8R0.15 CCCC(C#N)C(=O)O MCULE-8231205596 [0,2,0,0,0,0|1,0,0]=3 3785 B8R0.15 CCCC(CC)C(=O)C MCULE-3483794250 [0,2,0,0,0,0|2,0,0]=4 3786 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [0,2,0,0,0,0|1,0,0]=3 3787 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [0,2,0,0,0,0|1,0,0]=3 3788 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [0,2,0,0,0,0|1,0,0]=3 3789 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [0,2,0,0,0,0|1,0,0]=3 3790 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [0,2,0,0,0,0|1,0,0]=3 3791 B8R0.15 CCCC(NO)C(=O)O MCULE-7484331195 [0,2,0,0,0,0|1,0,0]=3 3792 B8R0.15 CCCC(OC)C(=O)O MCULE-6875744280 [0,2,0,0,0,0|1,0,0]=3 3793 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [0,2,0,0,0,0|1,0,0]=3 3794 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [0,2,0,0,0,0|1,0,0]=3 3795 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [0,2,0,0,0,0|1,0,0]=3 3796 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [0,2,0,0,0,0|1,0,0]=3 3797 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [0,2,0,0,0,0|1,0,0]=3 3798 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [0,2,0,0,0,0|1,0,0]=3 3799 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [0,2,0,0,0,0|1,0,0]=3 3800 B8R0.15 CCC[C@H](NO)C(=O)O MCULE-7455558431 [0,2,0,0,0,0|1,0,0]=3 3801 B8R0.15 CCOC(CBr)C(=O)O MCULE-5345866284 [0,2,0,0,0,0|2,0,0]=4 3802 B8R0.15 CCOC(CC)C(=O)O MCULE-1674742787 [0,2,0,0,0,0|2,0,0]=4 3803 B8R0.15 CNC(CCN)C(=O)O MCULE-6687313255 [0,2,0,0,0,0|2,0,0]=4 3804 B8R0.15 CNC(COC)C(=O)N MCULE-9124173069 [0,2,0,0,0,0|1,1,0]=4 3805 B8R0.15 CNC(COC)C(=O)O MCULE-4091913769 [0,2,0,0,0,0|0,1,0]=3 3806 B8R0.15 CNC(COC)C(=O)O MCULE-6745647660 [0,2,0,0,0,0|0,1,0]=3 3807 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-4209872941 [0,2,0,0,0,0|2,0,0]=4 3808 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-7202916887 [0,2,0,0,0,0|2,0,0]=4 3809 B8R0.15 CN[C@@H](COC)C(=O)N MCULE-2651499559 [0,2,0,0,0,0|1,1,0]=4 3810 B8R0.15 CN[C@@H](COC)C(=O)N MCULE-2761071254 [0,2,0,0,0,0|1,1,0]=4 3811 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-1874728709 [0,2,0,0,0,0|2,0,0]=4 3812 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-3716592032 [0,2,0,0,0,0|2,0,0]=4 3813 B8R0.15 COC(CCN)C(=O)O MCULE-1510512790 [0,2,0,0,0,0|2,0,0]=4 3814 B8R0.15 COCC(OC)C(=O)O MCULE-5776685365 [0,2,0,0,0,0|0,1,0]=3 3815 B8R0.15 COCC(ON)C(=O)O MCULE-4466158339 [0,2,0,0,0,0|0,1,0]=3 3816 B8R0.15 COCC(ON)C(=O)O MCULE-6084078663 [0,2,0,0,0,0|0,1,0]=3 3817 B8R0.29 CC(=O)CCC(C)(C)C MCULE-2192082949 [0,2,0,0,0,0|2,0,0]=4 3818 B8R0.29 CC(=O)CCC(C)(C)O MCULE-8412947781 [0,2,0,0,0,0|2,0,0]=4 3819 B8R0.29 CC(=O)CCS(=O)(=O)C MCULE-3749048069 [0,2,0,0,0,0|1,0,1]=4 3820 B8R0.29 CC(C)(C)CCC(=O)O MCULE-8929874481 [0,2,0,0,0,0|1,0,0]=3 3821 B8R0.29 CC(C)(C)NCC(=O)O MCULE-1149308055 [0,2,0,0,0,0|2,0,0]=4 3822 B8R0.29 CC(C)(C)NCC(=O)O MCULE-9781967875 [0,2,0,0,0,0|2,0,0]=4 3823 B8R0.29 CC(C)(C)OCC(=O)O MCULE-9634856231 [0,2,0,0,0,0|2,0,0]=4 3824 B8R0.29 CC(C)(C)SCC(=O)O MCULE-3761706328 [0,2,0,0,0,0|2,0,0]=4 3825 B8R0.29 CC(C)(N)CCC(=O)O MCULE-1195501366 [0,2,0,0,0,0|1,0,0]=3 3826 B8R0.29 CC(C)(N)CCC(=O)O MCULE-3901764815 [0,2,0,0,0,0|1,0,0]=3 3827 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-1599861039 [0,2,0,0,0,0|1,0,1]=4 3828 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-4576125997 [0,2,0,0,0,0|1,0,1]=4 3829 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-9770985354 [0,2,0,0,0,0|1,0,1]=4 3830 B8R0.29 CC(C)(S)CCC(=O)O MCULE-7771494478 [0,2,0,0,0,0|1,0,0]=3 3831 B8R0.29 CC(F)(F)CCC(=O)O MCULE-6694097155 [0,2,0,0,0,0|1,0,0]=3 3832 B8R0.29 CN(C)CCS(=O)(=O)O MCULE-2605112532 [0,2,0,0,0,0|2,0,0]=4 3833 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [0,2,0,0,0,0|1,0,0]=3 3834 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [0,2,0,0,0,0|1,0,0]=3 3835 B8R0.29 CP(=S)(C)CCC(=O)O MCULE-5422068119 [0,2,0,0,0,0|1,0,0]=3 3836 B8R0.29 CS(=O)(=NCC(=O)O)C MCULE-1962520069 [0,2,0,0,0,0|1,0,1]=4 3837 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [0,2,0,0,0,0|0,0,1]=3 3838 B8R0.29 CS(=O)(=O)NCC(=O)O MCULE-6239662408 [0,2,0,0,0,0|1,0,1]=4 3839 B8R0.29 CS(=O)(=O)OCC(=O)O MCULE-5511249618 [0,2,0,0,0,0|1,0,1]=4 3840 B8R0.29 C[Si](C)(C)CCC(=O)O MCULE-7609579135 [0,2,0,0,0,0|1,0,0]=3 3841 B8R0.29 C[Si](C)(C)CCC(=O)[O-] MCULE-2888786921 [0,2,0,0,0,0|1,0,1]=4 3842 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [0,2,0,0,0,0|1,0,1]=4 3843 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl MCULE-2127623168 [0,2,0,0,0,0|2,0,0]=4 3844 B8R0.29 O=C(O)CCC(F)(F)F MCULE-9968667608 [0,2,0,0,0,0|2,0,0]=4 3845 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [0,2,0,0,0,0|2,0,0]=4 3846 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [0,2,0,0,0,0|1,0,1]=4 3847 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [1,0,0,1,0,0|2,0,0]=4 3848 B6R1.2 C=C1CCCC1 MCULE-4115373196 [1,0,0,1,0,0|2,0,0]=4 3849 B6R1.2 C=C1CCSC1 MCULE-7042571473 [1,0,0,1,0,0|2,0,0]=4 3850 B6R1.2 CC1=CCCC1 MCULE-8508688474 [1,0,0,1,0,0|2,0,0]=4 3851 B6R1.2 CC1=CCCO1 MCULE-7276659214 [1,0,0,1,0,0|1,0,1]=4 3852 B6R1.2 CC1=NCCC1 MCULE-5009170423 [1,0,0,1,0,0|2,0,0]=4 3853 B6R1.2 CC1=NCCO1 MCULE-8564633040 [1,0,0,1,0,0|2,0,0]=4 3854 B6R1.2 CC1CCCO1 MCULE-2526138687 [1,0,0,1,0,0|1,0,1]=4 3855 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [1,0,0,1,0,0|2,0,0]=4 3856 B6R1.2 IC1=CCCC1 MCULE-5953451970 [1,0,0,1,0,0|2,0,0]=4 3857 B6R1.2 N=C1CCCS1 MCULE-4228855265 [1,0,0,1,0,0|1,1,0]=4 3858 B6R1.2 N=C1CCCS1 MCULE-7496124035 [1,0,0,1,0,0|1,1,0]=4 3859 B6R1.2 NC1=NCCC1 MCULE-6089369366 [1,0,0,1,0,0|2,0,0]=4 3860 B6R1.2 NC1=NCCC1 MCULE-8979618464 [1,0,0,1,0,0|2,0,0]=4 3861 B6R1.2 NC1=NCCO1 MCULE-1257431295 [1,0,0,1,0,0|2,0,0]=4 3862 B6R1.2 NC1=NCCO1 MCULE-9912511107 [1,0,0,1,0,0|2,0,0]=4 3863 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,1,0,0|1,0,1]=4 3864 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,1,0,0|0,0,2]=4 3865 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [1,0,0,1,0,0|1,0,1]=4 3866 B6R1.2 O=C1CCCC1 MCULE-9455227735 [1,0,0,1,0,0|1,0,0]=3 3867 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,1,0,0|1,0,0]=3 3868 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,1,0,0|0,0,0]=2 3869 B6R1.2 O=C1CCCS1 MCULE-5361654550 [1,0,0,1,0,0|0,1,0]=3 3870 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,1,0,0|2,0,0]=4 3871 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,1,0,0|2,0,0]=4 3872 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,1,0,0|2,0,0]=4 3873 B6R1.2 O=C1CCOC1 MCULE-2031733910 [1,0,0,1,0,0|1,1,0]=4 3874 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,1,0,0|1,1,0]=4 3875 B6R1.2 O=C1CCSC1 MCULE-2059655624 [1,0,0,1,0,0|1,0,0]=3 3876 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [1,0,0,1,0,0|2,0,0]=4 3877 B6R1.2 O=C1CNCN1 MCULE-2645891847 [1,0,0,1,0,0|2,0,0]=4 3878 B6R1.2 O=C1CNCN1 MCULE-9269137129 [1,0,0,1,0,0|2,0,0]=4 3879 B6R1.2 O=C1CSCN1 MCULE-3946660854 [1,0,0,1,0,0|1,0,0]=3 3880 B6R1.2 O=C1NCCN1 MCULE-9806791551 [1,0,0,1,0,0|2,0,0]=4 3881 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,1,0,0|1,0,0]=3 3882 B6R1.2 O=C1NCCS1 MCULE-6732478086 [1,0,0,1,0,0|1,1,0]=4 3883 B6R1.2 O=C1OCCO1 MCULE-9493253045 [1,0,0,1,0,0|1,0,0]=3 3884 B6R1.2 O=S1CCCC1 MCULE-2442126780 [1,0,0,1,0,0|2,0,0]=4 3885 B6R1.2 O=S1OCCO1 MCULE-5773173321 [1,0,0,1,0,0|2,0,0]=4 3886 B6R1.2 OC1CCCC1 MCULE-1758440264 [1,0,0,1,0,0|1,0,1]=4 3887 B6R1.2 OC1CCCN1 MCULE-4787168972 [1,0,0,1,0,0|1,0,1]=4 3888 B6R1.2 OC1CCCO1 MCULE-9632627344 [1,0,0,1,0,0|0,0,2]=4 3889 B6R1.2 OC1CCSC1 MCULE-9796808599 [1,0,0,1,0,0|1,0,1]=4 3890 B6R1.2 O[C@@H]1CCSC1 MCULE-3532754705 [1,0,0,1,0,0|1,0,1]=4 3891 B6R1.2 O[C@@H]1CCSC1 MCULE-5800407146 [1,0,0,1,0,0|1,0,1]=4 3892 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [1,0,0,1,0,0|2,0,0]=4 3893 B6R1.2 S=C1CCCN1 MCULE-1089290822 [1,0,0,1,0,0|1,1,0]=4 3894 B6R1.2 SC1=NCCO1 MCULE-6684545723 [1,0,0,1,0,0|1,1,0]=4 3895 B6R1.3 CCCC1CO1 MCULE-5080039224 [1,0,0,1,0,0|1,0,1]=4 3896 B6R1.3 CCC[C@@H]1CO1 MCULE-1815222100 [1,0,0,1,0,0|1,0,1]=4 3897 B6R1.3 CCC[C@H]1CO1 MCULE-9952368131 [1,0,0,1,0,0|1,0,1]=4 3898 B6R1.3 CSCC1CO1 MCULE-9014850650 [1,0,0,1,0,0|1,0,1]=4 3899 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [1,0,0,1,0,0|0,0,2]=4 3900 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [1,0,0,1,0,0|1,0,0]=3 3901 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [1,0,0,1,0,0|1,0,0]=3 3902 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [1,0,0,1,0,0|0,0,0]=2 3903 B6R1.5 CC1CC(C1)O MCULE-8612661286 [1,0,0,1,0,0|1,0,1]=4 3904 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [1,0,0,1,0,0|2,0,0]=4 3905 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [1,0,0,1,0,0|2,0,0]=4 3906 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [1,0,0,1,0,0|0,0,0]=2 3907 B6R1.5 C[C@H]1C[C@H](C1)O MCULE-9757332081 [1,0,0,1,0,0|1,0,1]=4 3908 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [1,0,0,1,0,0|2,0,0]=4 3909 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [1,0,0,1,0,0|2,0,0]=4 3910 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [1,0,0,1,0,0|2,0,0]=4 3911 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [1,0,0,1,0,0|2,0,0]=4 3912 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [1,0,0,1,0,0|1,1,0]=4 3913 B6R1.10 CC1(CCC1)O MCULE-4021675717 [1,0,0,1,0,0|1,0,1]=4 3914 B6R1.10 CC1(CSC1)O MCULE-9703448589 [1,0,0,1,0,0|1,0,1]=4 3915 B6R1.10 N=S1(=O)CCC1 MCULE-7690864417 [1,0,0,1,0,0|2,0,0]=4 3916 B6R1.10 O=S1(=O)CCC1 MCULE-7796411172 [1,0,0,1,0,0|1,0,1]=4 3917 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [1,0,0,1,0,0|1,0,0]=3 3918 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [1,0,0,1,0,0|1,1,0]=4 3919 B6R1.11 CC(O)C1CC1 MCULE-8628810684 [1,0,0,1,0,0|1,0,1]=4 3920 B6R1.11 C[C@@H](O)C1CC1 MCULE-8359847821 [1,0,0,1,0,0|1,0,1]=4 3921 B6R1.11 C[C@H](O)C1CC1 MCULE-2458075152 [1,0,0,1,0,0|1,0,1]=4 3922 B6R1.11 N=C(N)C1CC1 MCULE-1244673727 [1,0,0,1,0,0|2,0,0]=4 3923 B6R1.11 N=C(N)C1CC1 MCULE-2494860413 [1,0,0,1,0,0|2,0,0]=4 3924 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [1,0,0,1,0,0|1,0,0]=3 3925 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [1,0,0,1,0,0|1,1,0]=4 3926 B6R1.11 NC(=S)C1CC1 MCULE-7304936539 [1,0,0,1,0,0|1,1,0]=4 3927 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [1,0,0,1,0,0|1,0,0]=3 3928 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [1,0,0,1,0,0|0,0,0]=2 3929 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [1,0,0,1,0,0|1,0,0]=3 3930 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [1,0,0,1,0,0|0,1,0]=3 3931 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [1,0,0,1,0,0|1,0,0]=3 3932 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [1,0,0,1,0,0|1,0,0]=3 3933 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [1,0,0,1,0,0|0,1,0]=3 3934 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [1,0,0,1,0,0|0,1,0]=3 3935 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [1,0,0,1,0,0|1,0,1]=4 3936 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [1,0,0,1,0,0|0,1,1]=4 3937 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [1,0,0,1,0,0|0,1,1]=4 3938 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [1,0,0,1,0,0|0,1,1]=4 3939 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [1,0,0,1,0,0|0,1,1]=4 3940 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [1,0,0,1,0,0|0,1,1]=4 3941 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [1,0,0,1,0,0|0,1,1]=4 3942 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [1,0,0,1,0,0|0,1,1]=4 3943 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [1,0,0,1,0,0|1,0,0]=3 3944 B6R1.11 O=S([O-])C1CC1 MCULE-9446364072 [1,0,0,1,0,0|1,0,1]=4 3945 B6R1.11 OB(O)C1CC1 MCULE-5364427631 [1,0,0,1,0,0|1,0,1]=4 3946 B6R1.1 C1=CCCCC1 MCULE-3564016252 [1,0,0,1,0,0|2,0,0]=4 3947 B6R1.1 C1=CCNCC1 MCULE-4850984502 [1,0,0,1,0,0|2,0,0]=4 3948 B6R1.1 C1=CCNCC1 MCULE-9744767398 [1,0,0,1,0,0|2,0,0]=4 3949 B6R1.1 C1=CCOCC1 MCULE-7723901693 [1,0,0,1,0,0|1,1,0]=4 3950 B6R1.1 C1=COCCC1 MCULE-1260841717 [1,0,0,1,0,0|1,0,1]=4 3951 B6R1.1 C1=COCOC1 MCULE-9916358884 [1,0,0,1,0,0|0,1,1]=4 3952 B6R1.1 C1=NCCCC1 MCULE-7101012273 [1,0,0,1,0,0|2,0,0]=4 3953 B6R1.1 C1CCOCC1 MCULE-6904583049 [1,0,0,1,0,0|1,0,1]=4 3954 B6R1.1 C1CCONC1 MCULE-4106728300 [1,0,0,1,0,0|2,0,0]=4 3955 B6R1.1 C1CCONC1 MCULE-7653057344 [1,0,0,1,0,0|2,0,0]=4 3956 B6R1.1 C1CCSCC1 MCULE-5775966946 [1,0,0,1,0,0|1,0,1]=4 3957 B6R1.1 C1CNCOC1 MCULE-7862832103 [1,0,0,1,0,0|1,0,1]=4 3958 B6R1.1 C1CNCSC1 MCULE-2728084068 [1,0,0,1,0,0|1,0,1]=4 3959 B6R1.1 C1CNCSC1 MCULE-3301332730 [1,0,0,1,0,0|1,0,1]=4 3960 B6R1.1 C1COCOC1 MCULE-3698539550 [1,0,0,1,0,0|0,1,1]=4 3961 B6R1.1 C1CSCCN1 MCULE-6420970424 [1,0,0,1,0,0|2,0,0]=4 3962 B6R1.1 C1CSCCN1 MCULE-8670233998 [1,0,0,1,0,0|2,0,0]=4 3963 B6R1.1 C1CSCCO1 MCULE-5803800470 [1,0,0,1,0,0|2,0,0]=4 3964 B6R1.1 C1CSCCS1 MCULE-6198913745 [1,0,0,1,0,0|2,0,0]=4 3965 B6R1.1 C1CSCSC1 MCULE-5626011651 [1,0,0,1,0,0|0,1,1]=4 3966 B6R1.4 CC1CCC1=O MCULE-4548181715 [1,0,0,1,0,0|1,0,0]=3 3967 B6R1.4 CC1CCC1O MCULE-3852133104 [1,0,0,1,0,0|1,0,1]=4 3968 B6R1.4 CC1CNC1=O MCULE-5523309752 [1,0,0,1,0,0|2,0,0]=4 3969 B6R1.4 CC1COC1=O MCULE-9711165188 [1,0,0,1,0,0|2,0,0]=4 3970 B6R1.4 CC1OCC1=O MCULE-7718609686 [1,0,0,1,0,0|2,0,0]=4 3971 B6R1.4 NC1CCC1=O MCULE-3868209809 [1,0,0,1,0,0|2,0,0]=4 3972 B6R1.4 NC1CCC1=O MCULE-9741389143 [1,0,0,1,0,0|2,0,0]=4 3973 B6R1.4 NN1CCC1=O MCULE-6200802911 [1,0,0,1,0,0|2,0,0]=4 3974 B6R1.4 NN1CCC1=O MCULE-8249778821 [1,0,0,1,0,0|2,0,0]=4 3975 B6R1.4 O=C1CCC1Br MCULE-1088592133 [1,0,0,1,0,0|2,0,0]=4 3976 B6R1.4 O=C1CCC1F MCULE-6197375881 [1,0,0,1,0,0|2,0,0]=4 3977 B6R1.4 O=C1CCC1O MCULE-1248327203 [1,0,0,1,0,0|2,0,0]=4 3978 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [1,0,0,1,0,0|2,0,0]=4 3979 B6R1.6 C=CC1CNC1 MCULE-9929515921 [1,0,0,1,0,0|2,0,0]=4 3980 B6R1.6 CNC1CSC1 MCULE-6729829548 [1,0,0,1,0,0|2,0,0]=4 3981 B6R1.6 CNC1CSC1 MCULE-7173779891 [1,0,0,1,0,0|2,0,0]=4 3982 B6R1.6 CSC1CNC1 MCULE-2006549414 [1,0,0,1,0,0|2,0,0]=4 3983 B6R1.6 CSC1CNC1 MCULE-6024405532 [1,0,0,1,0,0|2,0,0]=4 3984 B6R1.6 N#CC1CSC1 MCULE-8903032109 [1,0,0,1,0,0|1,0,1]=4 3985 B6R1.6 NCC1CSC1 MCULE-2317140221 [1,0,0,1,0,0|1,0,1]=4 3986 B6R1.6 NCC1CSC1 MCULE-2885312159 [1,0,0,1,0,0|1,0,1]=4 3987 B6R1.6 NNC1CSC1 MCULE-2341298971 [1,0,0,1,0,0|2,0,0]=4 3988 B6R1.6 NNC1CSC1 MCULE-6513117263 [1,0,0,1,0,0|2,0,0]=4 3989 B6R1.6 NNC1CSC1 MCULE-9957779440 [1,0,0,1,0,0|2,0,0]=4 3990 B6R1.6 O=CC1CCC1 MCULE-8678026416 [1,0,0,1,0,0|1,0,0]=3 3991 B6R1.6 O=CC1COC1 MCULE-3773699476 [1,0,0,1,0,0|0,1,0]=3 3992 B6R1.6 O=CC1CSC1 MCULE-2648443908 [1,0,0,1,0,0|0,0,0]=2 3993 B6R1.6 OCC1CCC1 MCULE-3046613150 [1,0,0,1,0,0|1,0,1]=4 3994 B6R1.6 OCC1CNC1 MCULE-1537874886 [1,0,0,1,0,0|1,0,1]=4 3995 B6R1.6 OCC1CNC1 MCULE-8316085177 [1,0,0,1,0,0|1,0,1]=4 3996 B6R1.6 OCC1COC1 MCULE-5031415478 [1,0,0,1,0,0|0,1,1]=4 3997 B6R1.6 OCC1CSC1 MCULE-9388221183 [1,0,0,1,0,0|0,0,1]=3 3998 B8R1.1 C1(CCC(=O)N1)CBr MCULE-4451864575 [0,1,0,1,0,0|2,0,0]=4 3999 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [0,1,0,1,0,0|2,0,0]=4 4000 B8R1.1 C1(CCC(=O)N1)CO MCULE-8513534447 [0,1,0,1,0,0|2,0,0]=4 4001 B8R1.1 C1(CNC(=O)O1)CO MCULE-2451079587 [0,1,0,1,0,0|2,0,0]=4 4002 B8R1.1 C=CC1COC(=O)C1 MCULE-5888906344 [0,1,0,1,0,0|1,0,1]=4 4003 B8R1.1 C=CC1COC(=O)C1 MCULE-8602073759 [0,1,0,1,0,0|1,0,1]=4 4004 B8R1.1 C=CC1COC(=O)O1 MCULE-3470962220 [0,1,0,1,0,0|1,0,1]=4 4005 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-1274088394 [0,1,0,1,0,0|1,0,1]=4 4006 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-3162707973 [0,1,0,1,0,0|1,0,1]=4 4007 B8R1.1 CCC1=CC(=O)CC1 MCULE-6681801286 [0,1,0,1,0,0|2,0,0]=4 4008 B8R1.1 CCC1C=CC(=O)O1 MCULE-8058927851 [0,1,0,1,0,0|1,0,1]=4 4009 B8R1.1 CCC1CC(=O)CO1 MCULE-7105024194 [0,1,0,1,0,0|1,0,0]=3 4010 B8R1.1 CCC1CCC(=O)C1 MCULE-8455504217 [0,1,0,1,0,0|2,0,0]=4 4011 B8R1.1 CCC1CCC(=O)N1 MCULE-6150249637 [0,1,0,1,0,0|2,0,0]=4 4012 B8R1.1 CCC1CCC(=O)O1 MCULE-5161861312 [0,1,0,1,0,0|1,0,0]=3 4013 B8R1.1 CCC1CNC(=O)C1 MCULE-1800672545 [0,1,0,1,0,0|2,0,0]=4 4014 B8R1.1 CCC1CNC(=O)O1 MCULE-9388725409 [0,1,0,1,0,0|1,0,0]=3 4015 B8R1.1 CCC1COC(=O)C1 MCULE-1996435734 [0,1,0,1,0,0|1,0,0]=3 4016 B8R1.1 CCC1COC(=O)N1 MCULE-4345668230 [0,1,0,1,0,0|2,0,0]=4 4017 B8R1.1 CCC1COC(=O)O1 MCULE-5743084846 [0,1,0,1,0,0|1,0,0]=3 4018 B8R1.1 CCN1CCC(=O)C1 MCULE-5806094458 [0,1,0,1,0,0|2,0,0]=4 4019 B8R1.1 CC[C@@H]1CCC(=O)C1 MCULE-7687801028 [0,1,0,1,0,0|2,0,0]=4 4020 B8R1.1 CC[C@@H]1CCC(=O)O1 MCULE-9831904901 [0,1,0,1,0,0|1,0,0]=3 4021 B8R1.1 CC[C@H]1CCC(=O)C1 MCULE-6479003670 [0,1,0,1,0,0|2,0,0]=4 4022 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-2443615902 [0,1,0,1,0,0|2,0,0]=4 4023 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-9191549724 [0,1,0,1,0,0|2,0,0]=4 4024 B8R1.1 CNC1CNC(=O)C1 MCULE-1673491824 [0,1,0,1,0,0|2,0,0]=4 4025 B8R1.1 CN[C@H]1CNC(=O)C1 MCULE-7859463391 [0,1,0,1,0,0|2,0,0]=4 4026 B8R1.1 COC1=CC(=O)CC1 MCULE-7963656232 [0,1,0,1,0,0|1,1,0]=4 4027 B8R1.1 COC1C=CC(=O)C1 MCULE-3904672515 [0,1,0,1,0,0|1,1,0]=4 4028 B8R1.1 COC1CCC(=O)C1 MCULE-3259977239 [0,1,0,1,0,0|1,1,0]=4 4029 B8R1.1 COC1CCC(=O)N1 MCULE-9661875090 [0,1,0,1,0,0|1,1,0]=4 4030 B8R1.1 COC1CNC(=O)C1 MCULE-2023546447 [0,1,0,1,0,0|1,1,0]=4 4031 B8R1.1 CSC1=NC(=O)CN1 MCULE-2550909457 [0,1,0,1,0,0|1,0,1]=4 4032 B8R1.1 CSC1=NC(=O)CS1 MCULE-8345887508 [0,1,0,1,0,0|1,0,1]=4 4033 B8R1.1 N#CC1COC(=O)O1 MCULE-7635108167 [0,1,0,1,0,0|2,0,0]=4 4034 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [0,1,0,1,0,0|2,0,0]=4 4035 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [0,1,0,1,0,0|2,0,0]=4 4036 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [0,1,0,1,0,0|2,0,0]=4 4037 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [0,1,0,1,0,0|2,0,0]=4 4038 B8R1.1 NCC1CCC(=O)O1 MCULE-5413792723 [0,1,0,1,0,0|1,0,0]=3 4039 B8R1.1 NCC1CCC(=O)O1 MCULE-8312895206 [0,1,0,1,0,0|1,0,0]=3 4040 B8R1.1 NCC1CNC(=O)O1 MCULE-3940030823 [0,1,0,1,0,0|2,0,0]=4 4041 B8R1.1 NCC1CNC(=O)O1 MCULE-7671055394 [0,1,0,1,0,0|2,0,0]=4 4042 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [0,1,0,1,0,0|2,0,0]=4 4043 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [0,1,0,1,0,0|2,0,0]=4 4044 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [0,1,0,1,0,0|2,0,0]=4 4045 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [0,1,0,1,0,0|2,0,0]=4 4046 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-1463241001 [0,1,0,1,0,0|2,0,0]=4 4047 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-3217887113 [0,1,0,1,0,0|2,0,0]=4 4048 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-5423398321 [0,1,0,1,0,0|2,0,0]=4 4049 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-9322185538 [0,1,0,1,0,0|2,0,0]=4 4050 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [0,1,0,1,0,0|2,0,0]=4 4051 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [0,1,0,1,0,0|2,0,0]=4 4052 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [0,1,0,1,0,0|2,0,0]=4 4053 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [0,1,0,1,0,0|2,0,0]=4 4054 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-1224919034 [0,1,0,1,0,0|2,0,0]=4 4055 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6003746665 [0,1,0,1,0,0|2,0,0]=4 4056 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6937146715 [0,1,0,1,0,0|2,0,0]=4 4057 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-9419881517 [0,1,0,1,0,0|2,0,0]=4 4058 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [0,1,0,1,0,0|2,0,0]=4 4059 B8R1.1 O=C1CCC(C1)CF MCULE-9077358027 [0,1,0,1,0,0|2,0,0]=4 4060 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [0,1,0,1,0,0|2,0,0]=4 4061 B8R1.1 O=C1CCC(N1)CBr MCULE-7024022934 [0,1,0,1,0,0|2,0,0]=4 4062 B8R1.1 O=C1CCC(N1)CI MCULE-6956070937 [0,1,0,1,0,0|2,0,0]=4 4063 B8R1.1 O=C1CCC(N1)CO MCULE-1498000761 [0,1,0,1,0,0|2,0,0]=4 4064 B8R1.1 O=C1CCC(O1)CBr MCULE-9370722806 [0,1,0,1,0,0|1,0,0]=3 4065 B8R1.1 O=C1CCC(O1)CCl MCULE-3199749385 [0,1,0,1,0,0|1,0,0]=3 4066 B8R1.1 O=C1CCC(O1)CI MCULE-4432096360 [0,1,0,1,0,0|1,0,0]=3 4067 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [0,1,0,1,0,0|1,0,0]=3 4068 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [0,1,0,1,0,0|1,0,0]=3 4069 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [0,1,0,1,0,0|2,0,0]=4 4070 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [0,1,0,1,0,0|2,0,0]=4 4071 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-4537645558 [0,1,0,1,0,0|2,0,0]=4 4072 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-6830001458 [0,1,0,1,0,0|2,0,0]=4 4073 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3021506643 [0,1,0,1,0,0|2,0,0]=4 4074 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3659077476 [0,1,0,1,0,0|2,0,0]=4 4075 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [0,1,0,1,0,0|1,0,0]=3 4076 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [0,1,0,1,0,0|1,0,0]=3 4077 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-1684731751 [0,1,0,1,0,0|2,0,0]=4 4078 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-4479348379 [0,1,0,1,0,0|2,0,0]=4 4079 B8R1.1 O=C1CC[C@H](N1)CO MCULE-4532009930 [0,1,0,1,0,0|2,0,0]=4 4080 B8R1.1 O=C1CC[C@H](N1)CO MCULE-6466848372 [0,1,0,1,0,0|2,0,0]=4 4081 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [0,1,0,1,0,0|1,0,0]=3 4082 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [0,1,0,1,0,0|1,0,0]=3 4083 B8R1.1 O=C1NCC(O1)CBr MCULE-3294572412 [0,1,0,1,0,0|2,0,0]=4 4084 B8R1.1 O=C1NCC(O1)CCl MCULE-6711754093 [0,1,0,1,0,0|2,0,0]=4 4085 B8R1.1 O=C1NCC(O1)CCl MCULE-6847066968 [0,1,0,1,0,0|2,0,0]=4 4086 B8R1.1 O=C1NCC(O1)CO MCULE-8225938772 [0,1,0,1,0,0|2,0,0]=4 4087 B8R1.1 O=C1NC[C@@H](O1)CCl MCULE-4606501061 [0,1,0,1,0,0|2,0,0]=4 4088 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-4749906822 [0,1,0,1,0,0|2,0,0]=4 4089 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-7879354917 [0,1,0,1,0,0|2,0,0]=4 4090 B8R1.1 O=C1NC[C@H](O1)CCl MCULE-1912687608 [0,1,0,1,0,0|2,0,0]=4 4091 B8R1.1 O=C1NC[C@H](O1)CO MCULE-2698871687 [0,1,0,1,0,0|2,0,0]=4 4092 B8R1.1 O=C1NC[C@H](O1)CO MCULE-5771560221 [0,1,0,1,0,0|2,0,0]=4 4093 B8R1.1 O=C1OCC(O1)CCl MCULE-7212643481 [0,1,0,1,0,0|2,0,0]=4 4094 B8R1.1 O=C1OCC(O1)CF MCULE-2066386250 [0,1,0,1,0,0|2,0,0]=4 4095 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [0,1,0,1,0,0|2,0,0]=4 4096 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [0,1,0,1,0,0|2,0,0]=4 4097 B8R1.1 [C@@H]1(COC(=O)C1)C=C MCULE-1356778810 [0,1,0,1,0,0|1,0,1]=4 4098 B8R1.1 [C@H]1(CNC(=O)O1)CCl MCULE-6032247892 [0,1,0,1,0,0|2,0,0]=4 4099 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [0,1,0,1,0,0|2,0,0]=4 4100 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [0,1,0,1,0,0|2,0,0]=4 4101 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [0,1,0,1,0,0|2,0,0]=4 4102 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,1,0,1,0,0|2,0,0]=4 4103 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [0,1,0,1,0,0|1,0,1]=4 4104 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [0,1,0,1,0,0|2,0,0]=4 4105 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,1,0,1,0,0|2,0,0]=4 4106 B8R1.4 CC1=CCCC(=O)C1 MCULE-8078773996 [0,1,0,1,0,0|2,0,0]=4 4107 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [0,1,0,1,0,0|1,0,0]=3 4108 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [0,1,0,1,0,0|2,0,0]=4 4109 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [0,1,0,1,0,0|2,0,0]=4 4110 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [0,1,0,1,0,0|2,0,0]=4 4111 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [0,1,0,1,0,0|2,0,0]=4 4112 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [0,1,0,1,0,0|1,1,0]=4 4113 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [0,1,0,1,0,0|1,0,1]=4 4114 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,1,0,1,0,0|2,0,0]=4 4115 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,1,0,1,0,0|2,0,0]=4 4116 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,1,0,1,0,0|2,0,0]=4 4117 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,1,0,1,0,0|1,0,0]=3 4118 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,1,0,1,0,0|2,0,0]=4 4119 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [0,1,0,1,0,0|2,0,0]=4 4120 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,1,0,1,0,0|1,0,0]=3 4121 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,1,0,1,0,0|1,0,0]=3 4122 B8R1.4 CC1CCOS(=O)O1 MCULE-8688981983 [0,1,0,1,0,0|2,0,0]=4 4123 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,1,0,1,0,0|2,0,0]=4 4124 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,1,0,1,0,0|2,0,0]=4 4125 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [0,1,0,1,0,0|2,0,0]=4 4126 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [0,1,0,1,0,0|2,0,0]=4 4127 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,1,0,1,0,0|2,0,0]=4 4128 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,1,0,1,0,0|2,0,0]=4 4129 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,1,0,1,0,0|2,0,0]=4 4130 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,1,0,1,0,0|2,0,0]=4 4131 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,1,0,1,0,0|2,0,0]=4 4132 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [0,1,0,1,0,0|2,0,0]=4 4133 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [0,1,0,1,0,0|2,0,0]=4 4134 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [0,1,0,1,0,0|2,0,0]=4 4135 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [0,1,0,1,0,0|2,0,0]=4 4136 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [0,1,0,1,0,0|1,1,0]=4 4137 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [0,1,0,1,0,0|1,1,0]=4 4138 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,1,0,1,0,0|2,0,0]=4 4139 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,1,0,1,0,0|2,0,0]=4 4140 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,1,0,1,0,0|2,0,0]=4 4141 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,1,0,1,0,0|2,0,0]=4 4142 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,1,0,1,0,0|1,0,0]=3 4143 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,1,0,1,0,0|1,0,0]=3 4144 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,1,0,1,0,0|2,0,0]=4 4145 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,1,0,1,0,0|2,0,0]=4 4146 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,1,0,1,0,0|2,0,0]=4 4147 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,1,0,1,0,0|2,0,0]=4 4148 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [0,1,0,1,0,0|2,0,0]=4 4149 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [0,1,0,1,0,0|2,0,0]=4 4150 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [0,1,0,1,0,0|2,0,0]=4 4151 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [0,1,0,1,0,0|2,0,0]=4 4152 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [0,1,0,1,0,0|2,0,0]=4 4153 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [0,1,0,1,0,0|2,0,0]=4 4154 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [0,1,0,1,0,0|2,0,0]=4 4155 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [0,1,0,1,0,0|2,0,0]=4 4156 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [0,1,0,1,0,0|1,1,0]=4 4157 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,1,0,1,0,0|2,0,0]=4 4158 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,1,0,1,0,0|2,0,0]=4 4159 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,1,0,1,0,0|2,0,0]=4 4160 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,1,0,1,0,0|2,0,0]=4 4161 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,1,0,1,0,0|2,0,0]=4 4162 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,1,0,1,0,0|2,0,0]=4 4163 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,1,0,1,0,0|2,0,0]=4 4164 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [0,1,0,1,0,0|2,0,0]=4 4165 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [0,1,0,1,0,0|2,0,0]=4 4166 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,1,0,1,0,0|2,0,0]=4 4167 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,1,0,1,0,0|2,0,0]=4 4168 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,1,0,1,0,0|2,0,0]=4 4169 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,1,0,1,0,0|2,0,0]=4 4170 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,1,0,1,0,0|2,0,0]=4 4171 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,1,0,1,0,0|2,0,0]=4 4172 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,1,0,1,0,0|2,0,0]=4 4173 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,1,0,1,0,0|2,0,0]=4 4174 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,1,0,1,0,0|2,0,0]=4 4175 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,1,0,1,0,0|2,0,0]=4 4176 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,1,0,1,0,0|2,0,0]=4 4177 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,1,0,1,0,0|2,0,0]=4 4178 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,1,0,1,0,0|2,0,0]=4 4179 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,1,0,1,0,0|2,0,0]=4 4180 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,1,0,1,0,0|2,0,0]=4 4181 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,1,0,1,0,0|2,0,0]=4 4182 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [0,1,0,1,0,0|1,0,1]=4 4183 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,1,0,1,0,0|2,0,0]=4 4184 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,1,0,1,0,0|2,0,0]=4 4185 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [0,1,0,1,0,0|1,0,1]=4 4186 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,1,0,1,0,0|1,0,1]=4 4187 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [0,1,0,1,0,0|2,0,0]=4 4188 B8R1.4 O=C1CSCC(=O)O1 MCULE-6767203470 [0,1,0,1,0,0|2,0,0]=4 4189 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,1,0,1,0,0|2,0,0]=4 4190 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,1,0,1,0,0|2,0,0]=4 4191 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,1,0,1,0,0|2,0,0]=4 4192 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,1,0,1,0,0|2,0,0]=4 4193 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,1,0,1,0,0|2,0,0]=4 4194 B8R1.18 C=C1CC(OC1=O)C MCULE-4610228867 [0,1,0,1,0,0|1,0,1]=4 4195 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [0,1,0,1,0,0|2,0,0]=4 4196 B8R1.18 CC1CC(=O)CN1C MCULE-3142275674 [0,1,0,1,0,0|2,0,0]=4 4197 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,1,0,1,0,0|2,0,0]=4 4198 B8R1.18 CC1CC(=O)OC1C MCULE-3906254123 [0,1,0,1,0,0|1,0,0]=3 4199 B8R1.18 CC1CC(=O)OC1O MCULE-7140241012 [0,1,0,1,0,0|2,0,0]=4 4200 B8R1.18 CC1CC(C(=O)O1)Br MCULE-3628819780 [0,1,0,1,0,0|1,0,0]=3 4201 B8R1.18 CC1CC(C(=O)O1)N MCULE-4414809681 [0,1,0,1,0,0|1,0,0]=3 4202 B8R1.18 CC1CC(C(=O)O1)N MCULE-7247771680 [0,1,0,1,0,0|1,0,0]=3 4203 B8R1.18 CC1CN(CC1=O)C MCULE-3780339739 [0,1,0,1,0,0|2,0,0]=4 4204 B8R1.18 CC1NC(=O)CC1O MCULE-6370955032 [0,1,0,1,0,0|2,0,0]=4 4205 B8R1.18 CC1NC(=O)OC1C MCULE-5204749893 [0,1,0,1,0,0|2,0,0]=4 4206 B8R1.18 CC1OC(=O)OC1C MCULE-1302025126 [0,1,0,1,0,0|2,0,0]=4 4207 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O MCULE-5647492108 [0,1,0,1,0,0|2,0,0]=4 4208 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,1,0,1,0,0|2,0,0]=4 4209 B8R1.18 C[C@H]1CC(=O)O[C@H]1C MCULE-7756599719 [0,1,0,1,0,0|1,0,0]=3 4210 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,1,0,1,0,0|2,0,0]=4 4211 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,1,0,1,0,0|2,0,0]=4 4212 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,1,0,1,0,0|2,0,0]=4 4213 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,1,0,1,0,0|2,0,0]=4 4214 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,1,0,1,0,0|2,0,0]=4 4215 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,1,0,1,0,0|2,0,0]=4 4216 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,1,0,1,0,0|2,0,0]=4 4217 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,1,0,1,0,0|2,0,0]=4 4218 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [0,1,0,1,0,0|1,0,0]=3 4219 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [0,1,0,1,0,0|1,0,0]=3 4220 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [0,1,0,1,0,0|1,0,1]=4 4221 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C MCULE-1543129128 [0,1,0,1,0,0|2,0,0]=4 4222 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [0,1,0,1,0,0|1,0,0]=3 4223 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [0,1,0,1,0,0|1,0,0]=3 4224 B8R1.31 CC1NCC1C(=O)O MCULE-3701314568 [0,1,0,1,0,0|1,0,0]=3 4225 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [0,1,0,1,0,0|1,0,0]=3 4226 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [0,1,0,1,0,0|1,0,0]=3 4227 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [0,1,0,1,0,0|1,0,0]=3 4228 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [0,1,0,1,0,0|1,0,0]=3 4229 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [0,1,0,1,0,0|1,0,0]=3 4230 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [0,1,0,1,0,0|1,0,0]=3 4231 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [0,1,0,1,0,0|1,0,0]=3 4232 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-4996743185 [0,1,0,1,0,0|1,0,0]=3 4233 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-5548697786 [0,1,0,1,0,0|1,0,0]=3 4234 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [0,1,0,1,0,0|1,0,0]=3 4235 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [0,1,0,1,0,0|1,0,0]=3 4236 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [0,1,0,1,0,0|1,0,0]=3 4237 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [0,1,0,1,0,0|1,0,0]=3 4238 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [0,1,0,1,0,0|1,0,0]=3 4239 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [0,1,0,1,0,0|1,0,0]=3 4240 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [0,1,0,1,0,0|1,0,0]=3 4241 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [0,1,0,1,0,0|1,0,0]=3 4242 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [0,1,0,1,0,0|1,0,0]=3 4243 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [0,1,0,1,0,0|1,0,0]=3 4244 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [0,1,0,1,0,0|1,0,0]=3 4245 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [0,1,0,1,0,0|1,0,0]=3 4246 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [0,1,0,1,0,0|1,0,0]=3 4247 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [0,1,0,1,0,0|1,0,0]=3 4248 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [0,1,0,1,0,0|1,0,0]=3 4249 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [0,1,0,1,0,0|1,0,0]=3 4250 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [0,1,0,1,0,0|1,0,0]=3 4251 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [0,1,0,1,0,0|1,0,0]=3 4252 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [0,1,0,1,0,0|1,0,0]=3 4253 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [0,1,0,1,0,0|1,0,0]=3 4254 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [0,1,0,1,0,0|1,0,0]=3 4255 B8R1.34 CC(=O)CC1CCC1 MCULE-8119711389 [0,1,0,1,0,0|2,0,0]=4 4256 B8R1.34 CC(=O)CC1COC1 MCULE-8127220146 [0,1,0,1,0,0|1,1,0]=4 4257 B8R1.34 CC(=O)NC1CNC1 MCULE-8262716671 [0,1,0,1,0,0|2,0,0]=4 4258 B8R1.34 CC(=O)NC1CNC1 MCULE-9475906960 [0,1,0,1,0,0|2,0,0]=4 4259 B8R1.34 CC(=O)OC1CNC1 MCULE-1464943134 [0,1,0,1,0,0|2,0,0]=4 4260 B8R1.34 CC(=O)OC1CNC1 MCULE-2801618495 [0,1,0,1,0,0|2,0,0]=4 4261 B8R1.34 CC(=O)OC1CNC1 MCULE-5204587569 [0,1,0,1,0,0|2,0,0]=4 4262 B8R1.34 CC(=O)SC1CNC1 MCULE-7804874855 [0,1,0,1,0,0|2,0,0]=4 4263 B8R1.34 CC(=O)SC1COC1 MCULE-1737712664 [0,1,0,1,0,0|1,1,0]=4 4264 B8R1.34 NC(=O)CC1CNC1 MCULE-3085452095 [0,1,0,1,0,0|2,0,0]=4 4265 B8R1.34 NC(=O)CC1CNC1 MCULE-7868797282 [0,1,0,1,0,0|2,0,0]=4 4266 B8R1.34 NC(=O)NC1CCC1 MCULE-4153424610 [0,1,0,1,0,0|2,0,0]=4 4267 B8R1.34 NC(=O)OC1CNC1 MCULE-1968679475 [0,1,0,1,0,0|2,0,0]=4 4268 B8R1.34 NC(=O)OC1CNC1 MCULE-9969958473 [0,1,0,1,0,0|2,0,0]=4 4269 B8R1.34 O=C(Cl)CC1CCC1 MCULE-4282346796 [0,1,0,1,0,0|2,0,0]=4 4270 B8R1.34 O=C(O)C=C1CCC1 MCULE-7015909117 [0,1,0,1,0,0|1,0,1]=4 4271 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [0,1,0,1,0,0|1,0,0]=3 4272 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [0,1,0,1,0,0|1,0,0]=3 4273 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [0,1,0,1,0,0|0,1,0]=3 4274 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [0,1,0,1,0,0|1,0,0]=3 4275 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [0,1,0,1,0,0|1,0,0]=3 4276 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [0,1,0,1,0,0|1,0,0]=3 4277 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [0,1,0,1,0,0|0,1,0]=3 4278 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [0,1,0,1,0,0|0,0,0]=2 4279 B8R1.34 O=C(O)CN1CCC1 MCULE-2649525817 [0,1,0,1,0,0|1,0,0]=3 4280 B8R1.34 O=C(O)CN1CCC1 MCULE-6889274435 [0,1,0,1,0,0|1,0,0]=3 4281 B8R1.34 O=C([O-])CC1COC1 MCULE-8848528767 [0,1,0,1,0,0|0,1,1]=4 4282 B8R1.40 C=CC(=O)CC1CC1 MCULE-2286262087 [0,1,0,1,0,0|2,0,0]=4 4283 B8R1.40 CCC(=O)CC1CC1 MCULE-7991524982 [0,1,0,1,0,0|2,0,0]=4 4284 B8R1.40 COC(=O)CC1CC1 MCULE-5556326610 [0,1,0,1,0,0|1,0,0]=3 4285 B8R1.40 COC(=O)CC1CO1 MCULE-1978729257 [0,1,0,1,0,0|0,1,0]=3 4286 B8R1.40 COC(=O)C[C@@H]1CO1 MCULE-5425441463 [0,1,0,1,0,0|0,1,0]=3 4287 B8R1.40 N/C(=N\O)/CC1CC1 MCULE-2177833388 [0,1,0,1,0,0|2,0,0]=4 4288 B8R1.40 NCC(=O)CC1CC1 MCULE-2543196441 [0,1,0,1,0,0|2,0,0]=4 4289 B8R1.40 NCC(=O)CC1CC1 MCULE-5112659326 [0,1,0,1,0,0|2,0,0]=4 4290 B8R1.40 NNC(=O)CC1CC1 MCULE-5050226429 [0,1,0,1,0,0|2,0,0]=4 4291 B8R1.40 O=C(CBr)CC1CC1 MCULE-2483365582 [0,1,0,1,0,0|2,0,0]=4 4292 B8R1.40 O=C(CO)NC1CC1 MCULE-8403900056 [0,1,0,1,0,0|2,0,0]=4 4293 B8R1.42 CC(=O)CC1(CC1)C MCULE-3117561505 [0,1,0,1,0,0|2,0,0]=4 4294 B8R1.42 CC1(CC1)CC(=O)O MCULE-1590977154 [0,1,0,1,0,0|1,0,0]=3 4295 B8R1.42 CC1(N=N1)CC(=O)O MCULE-1987955811 [0,1,0,1,0,0|2,0,0]=4 4296 B8R1.42 NC1(CC1)CC(=O)O MCULE-3593224967 [0,1,0,1,0,0|1,0,0]=3 4297 B8R1.42 NC1(CC1)CC(=O)O MCULE-8049209917 [0,1,0,1,0,0|1,0,0]=3 4298 B8R1.42 O=C(O)CC1(CC1)O MCULE-1745399123 [0,1,0,1,0,0|1,0,0]=3 4299 B8R1.43 C#CC1CC1C(=O)O MCULE-3287712150 [0,1,0,1,0,0|1,0,1]=4 4300 B8R1.43 C#C[C@@H]1C[C@H]1C(=O)O MCULE-3682886945 [0,1,0,1,0,0|1,0,1]=4 4301 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-7332146893 [0,1,0,1,0,0|1,0,1]=4 4302 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-8247580113 [0,1,0,1,0,0|1,0,1]=4 4303 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O MCULE-7681925135 [0,1,0,1,0,0|1,0,1]=4 4304 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [0,1,0,1,0,0|1,0,1]=4 4305 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [0,1,0,1,0,0|1,0,1]=4 4306 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [0,1,0,1,0,0|1,0,0]=3 4307 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [0,1,0,1,0,0|1,0,0]=3 4308 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [0,1,0,1,0,0|0,1,0]=3 4309 B8R1.43 N#CC1CC1C(=O)O MCULE-9124706645 [0,1,0,1,0,0|1,0,1]=4 4310 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-5445653149 [0,1,0,1,0,0|1,0,1]=4 4311 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-6130530861 [0,1,0,1,0,0|1,0,1]=4 4312 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-3330628556 [0,1,0,1,0,0|1,0,1]=4 4313 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-6684718700 [0,1,0,1,0,0|1,0,1]=4 4314 B8R1.43 NC(=O)C1CC1CO MCULE-3191620985 [0,1,0,1,0,0|2,0,0]=4 4315 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [0,1,0,1,0,0|1,0,0]=3 4316 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [0,1,0,1,0,0|1,0,0]=3 4317 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [0,1,0,1,0,0|1,0,0]=3 4318 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [0,1,0,1,0,0|1,0,0]=3 4319 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [0,1,0,1,0,0|1,0,0]=3 4320 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [0,1,0,1,0,0|1,0,0]=3 4321 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [0,1,0,1,0,0|1,0,0]=3 4322 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [0,1,0,1,0,0|1,0,0]=3 4323 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [0,1,0,1,0,0|1,0,0]=3 4324 B8R1.43 [C@@H]1(C[C@H]1C(=O)O)C#N MCULE-9124193326 [0,1,0,1,0,0|1,0,1]=4 4325 B8R1.43 [C@H]1(C[C@H]1C(=O)O)C#N MCULE-3751215343 [0,1,0,1,0,0|1,0,1]=4 4326 B8R1.51 CC1(CCC(=O)C1)C MCULE-9814375082 [0,1,0,1,0,0|2,0,0]=4 4327 B8R1.51 CC1(CCC(=O)N1)C MCULE-2538104334 [0,1,0,1,0,0|2,0,0]=4 4328 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [0,1,0,1,0,0|1,0,0]=3 4329 B8R1.51 CC1(CNC(=O)O1)C MCULE-9188826896 [0,1,0,1,0,0|2,0,0]=4 4330 B8R1.51 CC1(OCC(=O)O1)C MCULE-5121540413 [0,1,0,1,0,0|2,0,0]=4 4331 B8R1.51 CC1CCS(=O)(=O)O1 MCULE-3194494728 [0,1,0,1,0,0|2,0,0]=4 4332 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,1,0,1,0,0|1,0,0]=3 4333 B8R1.51 O=C1CCS(=O)(=O)O1 MCULE-1696670151 [0,1,0,1,0,0|1,0,1]=4 4334 B8R1.67 C[C@H]1[C@H]([C@@H]1C(=O)O)C MCULE-2637094670 [0,1,0,1,0,0|1,0,0]=3 4335 B8R1.83 CC1CC1/C(=N/O)/N MCULE-9358928072 [0,1,0,1,0,0|2,0,0]=4 4336 B8R1.83 CC1CC1C(=O)CCl MCULE-1203840849 [0,1,0,1,0,0|2,0,0]=4 4337 B8R1.83 CC1CC1C(=O)NN MCULE-3813713819 [0,1,0,1,0,0|2,0,0]=4 4338 B8R1.83 CCC(=O)C1CC1C MCULE-4552256059 [0,1,0,1,0,0|2,0,0]=4 4339 B8R1.83 COC(=O)C1CC1Br MCULE-8891645401 [0,1,0,1,0,0|2,0,0]=4 4340 B8R1.83 COC(=O)C1CC1C MCULE-9202068586 [0,1,0,1,0,0|1,0,0]=3 4341 B8R1.83 COC(=O)[C@@H]1C[C@@H]1Br MCULE-3965032710 [0,1,0,1,0,0|2,0,0]=4 4342 B8R1.83 COC(=O)[C@H]1C[C@@H]1Br MCULE-9083522272 [0,1,0,1,0,0|2,0,0]=4 4343 B8R1.2 COC1=CCCCC1 MCULE-9079372045 [0,1,0,1,0,0|2,0,0]=4 4344 B8R1.2 COC1=CCOCC1 MCULE-8337045524 [0,1,0,1,0,0|1,1,0]=4 4345 B8R1.2 COC1=NCCCC1 MCULE-3080988027 [0,1,0,1,0,0|2,0,0]=4 4346 B8R1.2 O=CC1=CCCCC1 MCULE-6209420256 [0,1,0,1,0,0|2,0,0]=4 4347 B8R1.2 O=CC1CCCCO1 MCULE-6497412510 [0,1,0,1,0,0|1,0,1]=4 4348 B8R1.2 O=CC1CCSCC1 MCULE-4728594373 [0,1,0,1,0,0|1,0,1]=4 4349 B8R1.2 OCC1=CCCCC1 MCULE-2422738199 [0,1,0,1,0,0|2,0,0]=4 4350 B8R1.2 OCC1=CCOCC1 MCULE-6666473990 [0,1,0,1,0,0|1,1,0]=4 4351 B8R1.2 OCC1CCSCC1 MCULE-5223983457 [0,1,0,1,0,0|1,0,1]=4 4352 B8R1.2 ON=C1CCCCC1 MCULE-4628080057 [0,1,0,1,0,0|2,0,0]=4 4353 B8R1.2 ON=C1CCOCC1 MCULE-4298814584 [0,1,0,1,0,0|1,1,0]=4 4354 B8R1.2 ON=C1CCSCC1 MCULE-4883904053 [0,1,0,1,0,0|1,0,0]=3 4355 B8R1.3 C=C1CCC(=O)CC1 MCULE-8766071389 [0,1,0,1,0,0|2,0,0]=4 4356 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [0,1,0,1,0,0|2,0,0]=4 4357 B8R1.3 CC1=NNC(=O)CC1 MCULE-3548202908 [0,1,0,1,0,0|2,0,0]=4 4358 B8R1.3 CC1C=CC(=O)CC1 MCULE-6972928704 [0,1,0,1,0,0|2,0,0]=4 4359 B8R1.3 CC1CCC(=O)CC1 MCULE-5534475096 [0,1,0,1,0,0|2,0,0]=4 4360 B8R1.3 CC1CCC(=O)CC1 MCULE-9038467737 [0,1,0,1,0,0|2,0,0]=4 4361 B8R1.3 CC1CCC(=O)CN1 MCULE-1285022466 [0,1,0,1,0,0|2,0,0]=4 4362 B8R1.3 CC1CCC(=O)CN1 MCULE-9314433387 [0,1,0,1,0,0|2,0,0]=4 4363 B8R1.3 CC1CCC(=O)CO1 MCULE-8334906567 [0,1,0,1,0,0|1,0,0]=3 4364 B8R1.3 CC1CCC(=O)CS1 MCULE-9188619559 [0,1,0,1,0,0|1,1,0]=4 4365 B8R1.3 CC1CCC(=O)NC1 MCULE-1307751847 [0,1,0,1,0,0|2,0,0]=4 4366 B8R1.3 CC1CNC(=O)CO1 MCULE-6817757578 [0,1,0,1,0,0|2,0,0]=4 4367 B8R1.3 CC1COC(=O)OC1 MCULE-6795228051 [0,1,0,1,0,0|2,0,0]=4 4368 B8R1.3 CN1CCC(=O)CC1 MCULE-3370577555 [0,1,0,1,0,0|2,0,0]=4 4369 B8R1.3 CN1CCC(=O)CC1 MCULE-5364011649 [0,1,0,1,0,0|2,0,0]=4 4370 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-4693797730 [0,1,0,1,0,0|2,0,0]=4 4371 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-5991774380 [0,1,0,1,0,0|2,0,0]=4 4372 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-6484213897 [0,1,0,1,0,0|2,0,0]=4 4373 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-7346191190 [0,1,0,1,0,0|2,0,0]=4 4374 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7192421297 [0,1,0,1,0,0|2,0,0]=4 4375 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7394512903 [0,1,0,1,0,0|2,0,0]=4 4376 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-6334939841 [0,1,0,1,0,0|2,0,0]=4 4377 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-8476307649 [0,1,0,1,0,0|2,0,0]=4 4378 B8R1.3 C[C@H]1CCC(=O)NC1 MCULE-5712112445 [0,1,0,1,0,0|2,0,0]=4 4379 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-6169535590 [0,1,0,1,0,0|2,0,0]=4 4380 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-8876635175 [0,1,0,1,0,0|2,0,0]=4 4381 B8R1.3 NC1CCC(=O)CC1 MCULE-5825363145 [0,1,0,1,0,0|2,0,0]=4 4382 B8R1.3 NC1CCC(=O)CC1 MCULE-6212878324 [0,1,0,1,0,0|2,0,0]=4 4383 B8R1.3 NC1CCC(=O)NC1 MCULE-2677675224 [0,1,0,1,0,0|2,0,0]=4 4384 B8R1.3 NC1CCC(=O)NC1 MCULE-8711968877 [0,1,0,1,0,0|2,0,0]=4 4385 B8R1.3 NC1CCC(=O)NC1 MCULE-8915391016 [0,1,0,1,0,0|2,0,0]=4 4386 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-5372893548 [0,1,0,1,0,0|2,0,0]=4 4387 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6411408704 [0,1,0,1,0,0|2,0,0]=4 4388 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6771263407 [0,1,0,1,0,0|2,0,0]=4 4389 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-9035818807 [0,1,0,1,0,0|2,0,0]=4 4390 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-1921494480 [0,1,0,1,0,0|2,0,0]=4 4391 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-4843708987 [0,1,0,1,0,0|2,0,0]=4 4392 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-6599794889 [0,1,0,1,0,0|2,0,0]=4 4393 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-7112568050 [0,1,0,1,0,0|2,0,0]=4 4394 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9053885307 [0,1,0,1,0,0|2,0,0]=4 4395 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9780118077 [0,1,0,1,0,0|2,0,0]=4 4396 B8R1.3 O=C1CCC(=O)CC1 MCULE-5432049567 [0,1,0,1,0,0|2,0,0]=4 4397 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,1,0,1,0,0|2,0,0]=4 4398 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,1,0,1,0,0|1,0,0]=3 4399 B8R1.3 O=C1CCC(CC1)Br MCULE-1177789896 [0,1,0,1,0,0|2,0,0]=4 4400 B8R1.3 O=C1CCC(CC1)Cl MCULE-3647406761 [0,1,0,1,0,0|2,0,0]=4 4401 B8R1.3 O=C1CCC(CC1)F MCULE-5757540710 [0,1,0,1,0,0|2,0,0]=4 4402 B8R1.3 O=C1CCC(CC1)O MCULE-7247867750 [0,1,0,1,0,0|2,0,0]=4 4403 B8R1.3 O=C1CCC(CN1)F MCULE-1848493447 [0,1,0,1,0,0|2,0,0]=4 4404 B8R1.3 O=C1CCC(CN1)O MCULE-4501886280 [0,1,0,1,0,0|2,0,0]=4 4405 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,1,0,1,0,0|1,0,0]=3 4406 B8R1.3 O=C1CCS(=O)CC1 MCULE-5385870019 [0,1,0,1,0,0|1,0,1]=4 4407 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-3426407148 [0,1,0,1,0,0|2,0,0]=4 4408 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-9592320749 [0,1,0,1,0,0|2,0,0]=4 4409 B8R1.3 O=C1CC[C@H](CN1)O MCULE-1500705916 [0,1,0,1,0,0|2,0,0]=4 4410 B8R1.3 O=C1CC[C@H](CN1)O MCULE-9578240246 [0,1,0,1,0,0|2,0,0]=4 4411 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,1,0,1,0,0|2,0,0]=4 4412 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,1,0,1,0,0|2,0,0]=4 4413 B8R1.5 C=C1CCCCC1O MCULE-3853228524 [0,1,0,1,0,0|2,0,0]=4 4414 B8R1.5 C=C1CCCCC1O MCULE-5911864977 [0,1,0,1,0,0|2,0,0]=4 4415 B8R1.5 CC1CCCCC1=O MCULE-6363555535 [0,1,0,1,0,0|2,0,0]=4 4416 B8R1.5 CC1CCCNC1=O MCULE-5295531632 [0,1,0,1,0,0|2,0,0]=4 4417 B8R1.5 CC1CCCOC1=O MCULE-5926029136 [0,1,0,1,0,0|1,0,0]=3 4418 B8R1.5 CC1CNCCC1=O MCULE-6306655160 [0,1,0,1,0,0|2,0,0]=4 4419 B8R1.5 CC1CNCCC1=O MCULE-9018912988 [0,1,0,1,0,0|2,0,0]=4 4420 B8R1.5 CC1COCCC1=O MCULE-2694187526 [0,1,0,1,0,0|1,1,0]=4 4421 B8R1.5 CC1CSCCC1=O MCULE-4565033608 [0,1,0,1,0,0|1,0,0]=3 4422 B8R1.5 CN1CCCCC1=O MCULE-9619129797 [0,1,0,1,0,0|2,0,0]=4 4423 B8R1.5 C[C@H]1CNCCC1=O MCULE-8062269317 [0,1,0,1,0,0|2,0,0]=4 4424 B8R1.5 C[C@H]1CNCCC1=O MCULE-9510433313 [0,1,0,1,0,0|2,0,0]=4 4425 B8R1.5 C[C@H]1COCCC1=O MCULE-3103478095 [0,1,0,1,0,0|1,1,0]=4 4426 B8R1.5 NC1CCCCC1=O MCULE-2382898926 [0,1,0,1,0,0|2,0,0]=4 4427 B8R1.5 NC1CCCCC1=O MCULE-9230455128 [0,1,0,1,0,0|2,0,0]=4 4428 B8R1.5 NC1CCCNC1=O MCULE-2560564171 [0,1,0,1,0,0|2,0,0]=4 4429 B8R1.5 NC1CCCNC1=O MCULE-4494449620 [0,1,0,1,0,0|2,0,0]=4 4430 B8R1.5 NC1CCCNC1=O MCULE-7473475906 [0,1,0,1,0,0|2,0,0]=4 4431 B8R1.5 NC1CCCNC1=O MCULE-8288645102 [0,1,0,1,0,0|2,0,0]=4 4432 B8R1.5 NC1COCCC1=O MCULE-2621905094 [0,1,0,1,0,0|1,1,0]=4 4433 B8R1.5 NC1COCCC1=O MCULE-5417580672 [0,1,0,1,0,0|1,1,0]=4 4434 B8R1.5 NN1CCCCC1=O MCULE-3663308028 [0,1,0,1,0,0|2,0,0]=4 4435 B8R1.5 NN1CCCCC1=O MCULE-9929233745 [0,1,0,1,0,0|2,0,0]=4 4436 B8R1.5 NN1CCCOC1=O MCULE-6942418314 [0,1,0,1,0,0|2,0,0]=4 4437 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2058435105 [0,1,0,1,0,0|2,0,0]=4 4438 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2444659445 [0,1,0,1,0,0|2,0,0]=4 4439 B8R1.5 N[C@@H]1CCCNC1=O MCULE-3005560472 [0,1,0,1,0,0|2,0,0]=4 4440 B8R1.5 N[C@@H]1CCCNC1=O MCULE-6935410876 [0,1,0,1,0,0|2,0,0]=4 4441 B8R1.5 N[C@H]1CCCNC1=O MCULE-1247931890 [0,1,0,1,0,0|2,0,0]=4 4442 B8R1.5 N[C@H]1CCCNC1=O MCULE-2425510086 [0,1,0,1,0,0|2,0,0]=4 4443 B8R1.5 N[C@H]1CCCNC1=O MCULE-6121950966 [0,1,0,1,0,0|2,0,0]=4 4444 B8R1.5 N[C@H]1CCCNC1=O MCULE-7701042199 [0,1,0,1,0,0|2,0,0]=4 4445 B8R1.5 O=C1CCCCC1=O MCULE-5770827130 [0,1,0,1,0,0|1,0,1]=4 4446 B8R1.5 O=C1CCCCC1Br MCULE-9356057483 [0,1,0,1,0,0|2,0,0]=4 4447 B8R1.5 O=C1CCCCC1Cl MCULE-1580566298 [0,1,0,1,0,0|2,0,0]=4 4448 B8R1.5 O=C1CCCCC1F MCULE-6406930837 [0,1,0,1,0,0|2,0,0]=4 4449 B8R1.5 O=C1CCCCC1O MCULE-7509366699 [0,1,0,1,0,0|1,0,0]=3 4450 B8R1.5 O=C1CCNCC1Br MCULE-1607524353 [0,1,0,1,0,0|2,0,0]=4 4451 B8R1.5 O=C1CCNCC1Br MCULE-2623420651 [0,1,0,1,0,0|2,0,0]=4 4452 B8R1.5 O=C1CCNCC1Br MCULE-9921456309 [0,1,0,1,0,0|2,0,0]=4 4453 B8R1.5 O=C1CCNCC1F MCULE-4156323292 [0,1,0,1,0,0|2,0,0]=4 4454 B8R1.5 O=C1CCNCC1F MCULE-5488977269 [0,1,0,1,0,0|2,0,0]=4 4455 B8R1.5 O=C1CCNC[C@@H]1F MCULE-1703177711 [0,1,0,1,0,0|2,0,0]=4 4456 B8R1.5 O=C1CCNC[C@@H]1F MCULE-2722101377 [0,1,0,1,0,0|2,0,0]=4 4457 B8R1.5 O=C1CCNC[C@@H]1F MCULE-3843083136 [0,1,0,1,0,0|2,0,0]=4 4458 B8R1.5 O=C1CCNC[C@@H]1F MCULE-8423259867 [0,1,0,1,0,0|2,0,0]=4 4459 B8R1.5 O=C1CCNC[C@H]1F MCULE-4893691455 [0,1,0,1,0,0|2,0,0]=4 4460 B8R1.5 O=C1CCNC[C@H]1F MCULE-7014608979 [0,1,0,1,0,0|2,0,0]=4 4461 B8R1.5 O=C1CCOCC1Br MCULE-1103002154 [0,1,0,1,0,0|1,1,0]=4 4462 B8R1.5 O=C1CCOCC1Cl MCULE-6926183930 [0,1,0,1,0,0|1,1,0]=4 4463 B8R1.5 O=C1CCOCC1F MCULE-8590362767 [0,1,0,1,0,0|1,1,0]=4 4464 B8R1.5 O=C1CCOCC1O MCULE-7032874317 [0,1,0,1,0,0|0,1,0]=3 4465 B8R1.5 O=C1CCOC[C@@H]1Br MCULE-8729201111 [0,1,0,1,0,0|1,1,0]=4 4466 B8R1.5 O=C1CCOC[C@@H]1F MCULE-3075219245 [0,1,0,1,0,0|1,1,0]=4 4467 B8R1.5 O=C1NCCCC1Br MCULE-1860833784 [0,1,0,1,0,0|2,0,0]=4 4468 B8R1.5 O=C1NCCCC1O MCULE-4922755542 [0,1,0,1,0,0|2,0,0]=4 4469 B8R1.5 O=C1NCCC[C@@H]1O MCULE-2813817931 [0,1,0,1,0,0|2,0,0]=4 4470 B8R1.5 O=C1NCCC[C@@H]1O MCULE-3354550946 [0,1,0,1,0,0|2,0,0]=4 4471 B8R1.5 O=C1NCCC[C@H]1O MCULE-2892218765 [0,1,0,1,0,0|2,0,0]=4 4472 B8R1.5 O=C1NCCC[C@H]1O MCULE-8394704933 [0,1,0,1,0,0|2,0,0]=4 4473 B8R1.5 O=C1OCCCC1Br MCULE-4407787541 [0,1,0,1,0,0|1,0,0]=3 4474 B8R1.5 O=C1OCCCC1O MCULE-3021418071 [0,1,0,1,0,0|1,0,0]=3 4475 B8R1.13 CCCC1CCC1=O MCULE-7626165824 [0,1,0,1,0,0|2,0,0]=4 4476 B8R1.22 C=C1OCCCCO1 MCULE-8283334358 [0,1,0,1,0,0|2,0,0]=4 4477 B8R1.22 O=C1C=CCCCC1 MCULE-5281461360 [0,1,0,1,0,0|2,0,0]=4 4478 B8R1.22 O=C1CCC=CCC1 MCULE-5704984437 [0,1,0,1,0,0|2,0,0]=4 4479 B8R1.22 O=C1CCCCCC1 MCULE-3507111924 [0,1,0,1,0,0|2,0,0]=4 4480 B8R1.22 O=C1CCCCCN1 MCULE-4544579564 [0,1,0,1,0,0|2,0,0]=4 4481 B8R1.22 O=C1CCCCCO1 MCULE-3051096014 [0,1,0,1,0,0|1,0,0]=3 4482 B8R1.22 O=C1CCCCNC1 MCULE-8257380915 [0,1,0,1,0,0|2,0,0]=4 4483 B8R1.22 O=C1CCCCNC1 MCULE-8344538815 [0,1,0,1,0,0|2,0,0]=4 4484 B8R1.22 O=C1CCCNCC1 MCULE-3201401906 [0,1,0,1,0,0|2,0,0]=4 4485 B8R1.22 O=C1CCCNCC1 MCULE-8264253371 [0,1,0,1,0,0|2,0,0]=4 4486 B8R1.22 O=C1CCCOCC1 MCULE-9595066384 [0,1,0,1,0,0|1,1,0]=4 4487 B8R1.22 O=C1CCCSCC1 MCULE-9359592851 [0,1,0,1,0,0|1,0,0]=3 4488 B8R1.22 O=C1CCNCCN1 MCULE-1678306131 [0,1,0,1,0,0|2,0,0]=4 4489 B8R1.22 O=C1CCNCCN1 MCULE-1867860146 [0,1,0,1,0,0|2,0,0]=4 4490 B8R1.22 O=C1CCOCCN1 MCULE-6881734685 [0,1,0,1,0,0|1,1,0]=4 4491 B8R1.22 O=C1CCOCCO1 MCULE-1433837187 [0,1,0,1,0,0|0,1,0]=3 4492 B8R1.22 O=C1CCSCCN1 MCULE-9445131358 [0,1,0,1,0,0|1,0,0]=3 4493 B8R1.22 O=C1CNCCCN1 MCULE-6106237928 [0,1,0,1,0,0|2,0,0]=4 4494 B8R1.22 O=C1CNCCCN1 MCULE-9943393784 [0,1,0,1,0,0|2,0,0]=4 4495 B8R1.22 O=C1CNCCOC1 MCULE-7546546158 [0,1,0,1,0,0|2,0,0]=4 4496 B8R1.22 O=C1CNCCOC1 MCULE-9183427962 [0,1,0,1,0,0|2,0,0]=4 4497 B8R1.22 O=C1COCCCN1 MCULE-1471963909 [0,1,0,1,0,0|2,0,0]=4 4498 B8R1.22 O=C1COCCOC1 MCULE-4481438739 [0,1,0,1,0,0|2,0,0]=4 4499 B8R1.22 O=C1OCCCCO1 MCULE-1107419276 [0,1,0,1,0,0|1,0,0]=3 4500 B8R1.22 O=S1OCCCCO1 MCULE-6898726705 [0,1,0,1,0,0|2,0,0]=4 4501 B8R1.38 C#CC(=O)C1CCC1 MCULE-7044839324 [0,1,0,1,0,0|2,0,0]=4 4502 B8R1.38 C1(CCN1)C(=O)OC MCULE-4001628620 [0,1,0,1,0,0|2,0,0]=4 4503 B8R1.38 C1(CCN1)C(=O)OC MCULE-6304194058 [0,1,0,1,0,0|2,0,0]=4 4504 B8R1.38 CCC(=O)C1CCC1 MCULE-2054282062 [0,1,0,1,0,0|2,0,0]=4 4505 B8R1.38 CCC(=O)C1COC1 MCULE-2036532813 [0,1,0,1,0,0|1,1,0]=4 4506 B8R1.38 CNC(=O)C1CCC1 MCULE-7934051142 [0,1,0,1,0,0|2,0,0]=4 4507 B8R1.38 CNC(=O)C1CNC1 MCULE-1757312789 [0,1,0,1,0,0|2,0,0]=4 4508 B8R1.38 CNC(=O)C1CNC1 MCULE-5774189315 [0,1,0,1,0,0|2,0,0]=4 4509 B8R1.38 CNC(=O)C1CNC1 MCULE-8342593933 [0,1,0,1,0,0|2,0,0]=4 4510 B8R1.38 COC(=O)C1CCC1 MCULE-2900002276 [0,1,0,1,0,0|1,0,0]=3 4511 B8R1.38 COC(=O)C1CCN1 MCULE-2766647683 [0,1,0,1,0,0|2,0,0]=4 4512 B8R1.38 COC(=O)C1CCN1 MCULE-6440918459 [0,1,0,1,0,0|2,0,0]=4 4513 B8R1.38 COC(=O)C1CCN1 MCULE-6964468849 [0,1,0,1,0,0|2,0,0]=4 4514 B8R1.38 COC(=O)C1CCO1 MCULE-7860079290 [0,1,0,1,0,0|2,0,0]=4 4515 B8R1.38 COC(=O)C1CNC1 MCULE-5731952071 [0,1,0,1,0,0|1,0,0]=3 4516 B8R1.38 COC(=O)C1CNC1 MCULE-9436948908 [0,1,0,1,0,0|1,0,0]=3 4517 B8R1.38 COC(=O)C1COC1 MCULE-8897565340 [0,1,0,1,0,0|0,1,0]=3 4518 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-4539844768 [0,1,0,1,0,0|2,0,0]=4 4519 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-5257592845 [0,1,0,1,0,0|2,0,0]=4 4520 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-7483834256 [0,1,0,1,0,0|2,0,0]=4 4521 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-7502882004 [0,1,0,1,0,0|2,0,0]=4 4522 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-1944761309 [0,1,0,1,0,0|2,0,0]=4 4523 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-2075005250 [0,1,0,1,0,0|2,0,0]=4 4524 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-5626630564 [0,1,0,1,0,0|2,0,0]=4 4525 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-8309542560 [0,1,0,1,0,0|2,0,0]=4 4526 B8R1.38 N=C(NO)C1CCC1 MCULE-4445464088 [0,1,0,1,0,0|2,0,0]=4 4527 B8R1.38 NCC(=O)C1CCC1 MCULE-2102604629 [0,1,0,1,0,0|2,0,0]=4 4528 B8R1.38 NCC(=O)C1CCC1 MCULE-5571071703 [0,1,0,1,0,0|2,0,0]=4 4529 B8R1.38 NNC(=O)C1CCC1 MCULE-3104625459 [0,1,0,1,0,0|2,0,0]=4 4530 B8R1.38 O=C(CBr)C1CCC1 MCULE-7056136632 [0,1,0,1,0,0|2,0,0]=4 4531 B8R1.38 O=C(CCl)C1CCC1 MCULE-9286559827 [0,1,0,1,0,0|2,0,0]=4 4532 B8R1.38 O=C(NO)C1CCC1 MCULE-5722727330 [0,1,0,1,0,0|1,0,0]=3 4533 B8R1.50 CC1=C(C(=O)CC1)Br MCULE-4093496442 [0,1,0,1,0,0|2,0,0]=4 4534 B8R1.50 CC1=C(C(=O)CC1)C MCULE-6370073595 [0,1,0,1,0,0|2,0,0]=4 4535 B8R1.50 CC1=C(C(=O)CC1)O MCULE-2968247012 [0,1,0,1,0,0|1,0,0]=3 4536 B8R1.50 CC1=C(C(=O)CC1)O MCULE-9147894168 [0,1,0,1,0,0|1,0,0]=3 4537 B8R1.50 CC1=C(C(=O)CO1)O MCULE-9541217217 [0,1,0,1,0,0|2,0,0]=4 4538 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [0,1,0,1,0,0|2,0,0]=4 4539 B8R1.50 CC1=C(C(=O)SC1)O MCULE-2081484623 [0,1,0,1,0,0|2,0,0]=4 4540 B8R1.50 CC1C(=O)CCN1C MCULE-8191851293 [0,1,0,1,0,0|2,0,0]=4 4541 B8R1.50 CC1CCC(=O)C1=O MCULE-7649396652 [0,1,0,1,0,0|1,0,1]=4 4542 B8R1.50 CC1CCC(=O)N1C MCULE-7405072604 [0,1,0,1,0,0|2,0,0]=4 4543 B8R1.50 CN1CCC(=O)C1=O MCULE-7541521172 [0,1,0,1,0,0|1,0,1]=4 4544 B8R1.50 CN1CCC(C1=O)O MCULE-6867263123 [0,1,0,1,0,0|1,0,1]=4 4545 B8R1.50 O=C1CCC(=O)N1O MCULE-5478278340 [0,1,0,1,0,0|2,0,0]=4 4546 B8R1.52 NC1(CCSC1)CO MCULE-2703002887 [0,1,0,1,0,0|1,0,1]=4 4547 B8R1.52 NCC1(CCSC1)O MCULE-7330229410 [0,1,0,1,0,0|1,0,1]=4 4548 B8R1.52 OCC1(CCSC1)O MCULE-1555119227 [0,1,0,1,0,0|0,0,2]=4 4549 B8R1.6 CCCC1CC(=O)C1 MCULE-8820429798 [0,1,0,1,0,0|2,0,0]=4 4550 B8R1.6 COCC1CC(=O)C1 MCULE-2514529767 [0,1,0,1,0,0|1,1,0]=4 4551 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [0,1,0,1,0,0|2,0,0]=4 4552 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [0,1,0,1,0,0|2,0,0]=4 4553 B8R1.7 C1(CCNC1)C(=O)N MCULE-4476688014 [0,1,0,1,0,0|2,0,0]=4 4554 B8R1.7 C1(CCNC1)C(=O)N MCULE-8592806332 [0,1,0,1,0,0|2,0,0]=4 4555 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [0,1,0,1,0,0|1,0,0]=3 4556 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [0,1,0,1,0,0|1,0,0]=3 4557 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [0,1,0,1,0,0|0,1,0]=3 4558 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [0,1,0,1,0,0|2,0,0]=4 4559 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [0,1,0,1,0,0|2,0,0]=4 4560 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [0,1,0,1,0,0|2,0,0]=4 4561 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [0,1,0,1,0,0|2,0,0]=4 4562 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [0,1,0,1,0,0|2,0,0]=4 4563 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [0,1,0,1,0,0|2,0,0]=4 4564 B8R1.7 CC(=O)C1CCOC1 MCULE-2105633909 [0,1,0,1,0,0|1,1,0]=4 4565 B8R1.7 CC(=O)N1CCCC1 MCULE-6839528034 [0,1,0,1,0,0|2,0,0]=4 4566 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [0,1,0,1,0,0|2,0,0]=4 4567 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [0,1,0,1,0,0|2,0,0]=4 4568 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [0,1,0,1,0,0|2,0,0]=4 4569 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [0,1,0,1,0,0|2,0,0]=4 4570 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [0,1,0,1,0,0|2,0,0]=4 4571 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [0,1,0,1,0,0|2,0,0]=4 4572 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [0,1,0,1,0,0|2,0,0]=4 4573 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [0,1,0,1,0,0|2,0,0]=4 4574 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [0,1,0,1,0,0|2,0,0]=4 4575 B8R1.7 NC(=O)C1CC=CC1 MCULE-5556484257 [0,1,0,1,0,0|2,0,0]=4 4576 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [0,1,0,1,0,0|2,0,0]=4 4577 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [0,1,0,1,0,0|2,0,0]=4 4578 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [0,1,0,1,0,0|2,0,0]=4 4579 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [0,1,0,1,0,0|2,0,0]=4 4580 B8R1.7 NC(=O)C1CCNC1 MCULE-6035608651 [0,1,0,1,0,0|2,0,0]=4 4581 B8R1.7 NC(=O)C1CCNC1 MCULE-8602888952 [0,1,0,1,0,0|2,0,0]=4 4582 B8R1.7 NC(=O)C1CCOC1 MCULE-7120435380 [0,1,0,1,0,0|1,1,0]=4 4583 B8R1.7 NC(=O)C1CSCN1 MCULE-7557874523 [0,1,0,1,0,0|1,0,0]=3 4584 B8R1.7 NC(=O)N1CCCC1 MCULE-2282948234 [0,1,0,1,0,0|2,0,0]=4 4585 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [0,1,0,1,0,0|2,0,0]=4 4586 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [0,1,0,1,0,0|2,0,0]=4 4587 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [0,1,0,1,0,0|2,0,0]=4 4588 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [0,1,0,1,0,0|2,0,0]=4 4589 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [0,1,0,1,0,0|2,0,0]=4 4590 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [0,1,0,1,0,0|2,0,0]=4 4591 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1320057579 [0,1,0,1,0,0|2,0,0]=4 4592 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1678228480 [0,1,0,1,0,0|2,0,0]=4 4593 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-3340066069 [0,1,0,1,0,0|2,0,0]=4 4594 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-8833406496 [0,1,0,1,0,0|2,0,0]=4 4595 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [0,1,0,1,0,0|2,0,0]=4 4596 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [0,1,0,1,0,0|2,0,0]=4 4597 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [0,1,0,1,0,0|2,0,0]=4 4598 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [0,1,0,1,0,0|2,0,0]=4 4599 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-1673594093 [0,1,0,1,0,0|2,0,0]=4 4600 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-6725123306 [0,1,0,1,0,0|2,0,0]=4 4601 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-7222756259 [0,1,0,1,0,0|2,0,0]=4 4602 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-8100234071 [0,1,0,1,0,0|2,0,0]=4 4603 B8R1.7 NC(=O)[C@H]1CCOC1 MCULE-1231475693 [0,1,0,1,0,0|1,1,0]=4 4604 B8R1.7 O=C(Cl)C1CC=CC1 MCULE-8148758182 [0,1,0,1,0,0|2,0,0]=4 4605 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [0,1,0,1,0,0|2,0,0]=4 4606 B8R1.7 O=C(Cl)C1CCCO1 MCULE-9691919934 [0,1,0,1,0,0|2,0,0]=4 4607 B8R1.7 O=C(Cl)C1CCOC1 MCULE-9071234830 [0,1,0,1,0,0|1,1,0]=4 4608 B8R1.7 O=C(Cl)N1CCCC1 MCULE-2201729080 [0,1,0,1,0,0|2,0,0]=4 4609 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [0,1,0,1,0,0|1,0,1]=4 4610 B8R1.7 O=C(O)C1=CCNC1 MCULE-2391284266 [0,1,0,1,0,0|1,0,1]=4 4611 B8R1.7 O=C(O)C1=CCNC1 MCULE-5725335930 [0,1,0,1,0,0|1,0,1]=4 4612 B8R1.7 O=C(O)C1=CCOC1 MCULE-3209603870 [0,1,0,1,0,0|0,1,1]=4 4613 B8R1.7 O=C(O)C1=CCSC1 MCULE-3187835692 [0,1,0,1,0,0|0,0,1]=3 4614 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [0,1,0,1,0,0|0,1,1]=4 4615 B8R1.7 O=C(O)C1=CSCS1 MCULE-2399429418 [0,1,0,1,0,0|0,0,2]=4 4616 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [0,1,0,1,0,0|1,0,1]=4 4617 B8R1.7 O=C(O)C1=NOCC1 MCULE-3126584315 [0,1,0,1,0,0|1,1,0]=4 4618 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [0,1,0,1,0,0|1,0,1]=4 4619 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [0,1,0,1,0,0|1,0,1]=4 4620 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [0,1,0,1,0,0|1,0,1]=4 4621 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [0,1,0,1,0,0|1,0,1]=4 4622 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [0,1,0,1,0,0|1,0,1]=4 4623 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [0,1,0,1,0,0|1,0,1]=4 4624 B8R1.7 O=C(O)C1CC=CC1 MCULE-7876630177 [0,1,0,1,0,0|1,0,0]=3 4625 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [0,1,0,1,0,0|1,0,1]=4 4626 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [0,1,0,1,0,0|1,0,0]=3 4627 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [0,1,0,1,0,0|1,0,0]=3 4628 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [0,1,0,1,0,0|1,0,0]=3 4629 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [0,1,0,1,0,0|1,0,0]=3 4630 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [0,1,0,1,0,0|1,0,0]=3 4631 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [0,1,0,1,0,0|1,0,0]=3 4632 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [0,1,0,1,0,0|1,0,0]=3 4633 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [0,1,0,1,0,0|1,0,0]=3 4634 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [0,1,0,1,0,0|1,0,0]=3 4635 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [0,1,0,1,0,0|1,0,0]=3 4636 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [0,1,0,1,0,0|1,0,0]=3 4637 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [0,1,0,1,0,0|0,1,0]=3 4638 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [0,1,0,1,0,0|0,0,0]=2 4639 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [0,1,0,1,0,0|0,1,0]=3 4640 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [0,1,0,1,0,0|0,1,0]=3 4641 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [0,1,0,1,0,0|0,0,0]=2 4642 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [0,1,0,1,0,0|0,0,0]=2 4643 B8R1.7 O=C(O)C1CSSC1 MCULE-8231952386 [0,1,0,1,0,0|0,0,0]=2 4644 B8R1.7 O=C(O)C1NCCS1 MCULE-2504435743 [0,1,0,1,0,0|2,0,0]=4 4645 B8R1.7 O=C(O)C1SCCS1 MCULE-4466563646 [0,1,0,1,0,0|2,0,0]=4 4646 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [0,1,0,1,0,0|1,0,0]=3 4647 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [0,1,0,1,0,0|1,0,1]=4 4648 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [0,1,0,1,0,0|1,0,1]=4 4649 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [0,1,0,1,0,0|1,0,1]=4 4650 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [0,1,0,1,0,0|1,0,1]=4 4651 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [0,1,0,1,0,0|1,0,0]=3 4652 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [0,1,0,1,0,0|1,0,0]=3 4653 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [0,1,0,1,0,0|1,0,0]=3 4654 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [0,1,0,1,0,0|1,0,0]=3 4655 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [0,1,0,1,0,0|1,0,0]=3 4656 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [0,1,0,1,0,0|1,0,0]=3 4657 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [0,1,0,1,0,0|1,0,0]=3 4658 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [0,1,0,1,0,0|1,0,0]=3 4659 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [0,1,0,1,0,0|1,0,0]=3 4660 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [0,1,0,1,0,0|1,0,0]=3 4661 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [0,1,0,1,0,0|0,1,0]=3 4662 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [0,1,0,1,0,0|0,1,0]=3 4663 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [0,1,0,1,0,0|0,1,0]=3 4664 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [0,1,0,1,0,0|0,1,0]=3 4665 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [0,1,0,1,0,0|0,1,0]=3 4666 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [0,1,0,1,0,0|0,1,0]=3 4667 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [0,1,0,1,0,0|0,0,0]=2 4668 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [0,1,0,1,0,0|0,0,0]=2 4669 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [0,1,0,1,0,0|1,0,1]=4 4670 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [0,1,0,1,0,0|1,0,1]=4 4671 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [0,1,0,1,0,0|1,0,1]=4 4672 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [0,1,0,1,0,0|1,0,0]=3 4673 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [0,1,0,1,0,0|1,0,0]=3 4674 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [0,1,0,1,0,0|1,0,0]=3 4675 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [0,1,0,1,0,0|1,0,0]=3 4676 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [0,1,0,1,0,0|1,0,0]=3 4677 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [0,1,0,1,0,0|1,0,0]=3 4678 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [0,1,0,1,0,0|1,0,0]=3 4679 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [0,1,0,1,0,0|1,0,0]=3 4680 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [0,1,0,1,0,0|0,1,0]=3 4681 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [0,1,0,1,0,0|0,1,0]=3 4682 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [0,1,0,1,0,0|0,0,0]=2 4683 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [0,1,0,1,0,0|0,0,0]=2 4684 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [0,1,0,1,0,0|1,0,1]=4 4685 B8R1.7 O=C([O-])C1CSCN1 MCULE-9836043803 [0,1,0,1,0,0|0,0,1]=3 4686 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [0,1,0,1,0,0|1,0,1]=4 4687 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [0,1,0,1,0,0|1,0,1]=4 4688 B8R1.7 [C@@H]1(CSCN1)C(=O)[O-] MCULE-3895380806 [0,1,0,1,0,0|0,0,1]=3 4689 B8R1.35 CC(=O)CCC1CC1 MCULE-1674877061 [0,1,0,1,0,0|2,0,0]=4 4690 B8R1.35 CC(=O)NCC1CC1 MCULE-1770864212 [0,1,0,1,0,0|2,0,0]=4 4691 B8R1.35 CC(=O)NCC1CO1 MCULE-8864606081 [0,1,0,1,0,0|1,1,0]=4 4692 B8R1.35 NC(=O)CNC1CC1 MCULE-1569675703 [0,1,0,1,0,0|2,0,0]=4 4693 B8R1.35 NC(=O)CNC1CC1 MCULE-2912062351 [0,1,0,1,0,0|2,0,0]=4 4694 B8R1.35 NC(=O)NCC1CC1 MCULE-9526171923 [0,1,0,1,0,0|2,0,0]=4 4695 B8R1.35 O=C(Cl)OCC1CC1 MCULE-5850240668 [0,1,0,1,0,0|2,0,0]=4 4696 B8R1.35 O=C(O)/C=C/C1CC1 MCULE-2218783834 [0,1,0,1,0,0|1,0,1]=4 4697 B8R1.35 O=C(O)C#CC1CC1 MCULE-8494271998 [0,1,0,1,0,0|1,0,1]=4 4698 B8R1.35 O=C(O)C=CC1CC1 MCULE-9706214568 [0,1,0,1,0,0|1,0,1]=4 4699 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [0,1,0,1,0,0|1,0,0]=3 4700 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [0,1,0,1,0,0|0,1,0]=3 4701 B8R1.35 O=C(O)CCC1N=N1 MCULE-7773347718 [0,1,0,1,0,0|2,0,0]=4 4702 B8R1.35 O=C(O)CNC1CC1 MCULE-7811029224 [0,1,0,1,0,0|1,0,0]=3 4703 B8R1.35 O=C(O)CNC1CC1 MCULE-9104732369 [0,1,0,1,0,0|1,0,0]=3 4704 B8R1.35 O=C(O)COC1CC1 MCULE-2555477617 [0,1,0,1,0,0|1,0,0]=3 4705 B8R1.35 O=C(O)CSC1CC1 MCULE-7890561094 [0,1,0,1,0,0|1,0,0]=3 4706 B8R1.72 CC1(CCSCC1)O MCULE-2057155888 [0,1,0,1,0,0|1,0,1]=4 4707 B8R1.72 O=S1(=O)CCCCO1 MCULE-8722166220 [0,1,0,1,0,0|2,0,0]=4 4708 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,1,0,1,0,0|2,0,0]=4 4709 B8R1.23 C=C1CC(C1)C(=O)C MCULE-4738657819 [0,1,0,1,0,0|2,0,0]=4 4710 B8R1.23 C=C1CC(C1)C(=O)Cl MCULE-2176633503 [0,1,0,1,0,0|2,0,0]=4 4711 B8R1.23 C=C1CC(C1)C(=O)N MCULE-9592937262 [0,1,0,1,0,0|2,0,0]=4 4712 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,1,0,1,0,0|1,0,0]=3 4713 B8R1.23 CC(=O)C1CC(C1)O MCULE-1249992642 [0,1,0,1,0,0|2,0,0]=4 4714 B8R1.23 CC(C)C1CC(=O)C1 MCULE-1288547159 [0,1,0,1,0,0|2,0,0]=4 4715 B8R1.23 CC(C)C1CC(=O)N1 MCULE-9034089552 [0,1,0,1,0,0|2,0,0]=4 4716 B8R1.23 CC(C)[C@@H]1CC(=O)N1 MCULE-4005923993 [0,1,0,1,0,0|2,0,0]=4 4717 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [0,1,0,1,0,0|1,0,0]=3 4718 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,1,0,1,0,0|1,0,0]=3 4719 B8R1.23 CN(C)C1CC(=O)C1 MCULE-6018790008 [0,1,0,1,0,0|2,0,0]=4 4720 B8R1.23 CN1CC(C1)C(=O)Cl MCULE-4240668885 [0,1,0,1,0,0|2,0,0]=4 4721 B8R1.23 CN1CC(C1)C(=O)Cl MCULE-8969093472 [0,1,0,1,0,0|2,0,0]=4 4722 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [0,1,0,1,0,0|1,0,0]=3 4723 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,1,0,1,0,0|1,0,0]=3 4724 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [0,1,0,1,0,0|1,0,0]=3 4725 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [0,1,0,1,0,0|1,0,0]=3 4726 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,1,0,1,0,0|1,0,0]=3 4727 B8R1.23 NC(=O)C1CC(C1)N MCULE-5148844906 [0,1,0,1,0,0|2,0,0]=4 4728 B8R1.23 NC(=O)C1CC(C1)N MCULE-6769121107 [0,1,0,1,0,0|2,0,0]=4 4729 B8R1.23 NC(=O)C1CC(C1)O MCULE-5735068093 [0,1,0,1,0,0|2,0,0]=4 4730 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [0,1,0,1,0,0|1,0,0]=3 4731 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [0,1,0,1,0,0|1,0,0]=3 4732 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [0,1,0,1,0,0|1,0,0]=3 4733 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [0,1,0,1,0,0|1,0,0]=3 4734 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [0,1,0,1,0,0|1,0,0]=3 4735 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [0,1,0,1,0,0|1,0,0]=3 4736 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [0,1,0,1,0,0|1,0,0]=3 4737 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [0,1,0,1,0,0|1,0,0]=3 4738 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [0,1,0,1,0,0|1,0,0]=3 4739 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [0,1,0,1,0,0|1,0,0]=3 4740 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [0,1,0,1,0,0|1,0,0]=3 4741 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [0,1,0,1,0,0|1,0,0]=3 4742 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [0,1,0,1,0,0|1,0,0]=3 4743 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [0,1,0,1,0,0|1,0,0]=3 4744 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [0,1,0,1,0,0|1,0,0]=3 4745 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [0,1,0,1,0,0|1,0,0]=3 4746 B8R1.23 O=C1CC(C1)C(=O)Cl MCULE-5261758509 [0,1,0,1,0,0|2,0,0]=4 4747 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,1,0,1,0,0|1,0,0]=3 4748 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,1,0,1,0,0|2,0,0]=4 4749 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,1,0,1,0,0|2,0,0]=4 4750 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,1,0,1,0,0|2,0,0]=4 4751 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,1,0,1,0,0|2,0,0]=4 4752 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,1,0,1,0,0|2,0,0]=4 4753 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,1,0,1,0,0|2,0,0]=4 4754 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [0,1,0,1,0,0|1,0,0]=3 4755 B8R1.30 CC1(CC1Br)C(=O)O MCULE-8673991477 [0,1,0,1,0,0|2,0,0]=4 4756 B8R1.30 CC1(CC1F)C(=O)O MCULE-8465675013 [0,1,0,1,0,0|2,0,0]=4 4757 B8R1.30 CC1CC1(C)C(=O)O MCULE-8330983425 [0,1,0,1,0,0|1,0,0]=3 4758 B8R1.30 C[C@@]1(C[C@@H]1Br)C(=O)O MCULE-1474744945 [0,1,0,1,0,0|2,0,0]=4 4759 B8R1.30 C[C@]1(C[C@@H]1F)C(=O)O MCULE-3210206701 [0,1,0,1,0,0|2,0,0]=4 4760 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-6362421682 [0,1,0,1,0,0|2,0,0]=4 4761 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-9963754001 [0,1,0,1,0,0|2,0,0]=4 4762 B8R1.54 C(N)(C(=O)O)C1CC1 MCULE-4833544032 [0,1,0,1,0,0|1,0,0]=3 4763 B8R1.54 C=C(C(=O)O)C1CC1 MCULE-9531805422 [0,1,0,1,0,0|1,0,1]=4 4764 B8R1.54 CC(=O)C(C)C1CC1 MCULE-9797389889 [0,1,0,1,0,0|2,0,0]=4 4765 B8R1.54 CC(C(=O)O)C1CC1 MCULE-9343385076 [0,1,0,1,0,0|1,0,0]=3 4766 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5863587661 [0,1,0,1,0,0|2,0,0]=4 4767 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5987826744 [0,1,0,1,0,0|2,0,0]=4 4768 B8R1.54 NC(=O)C(O)C1CC1 MCULE-4055290448 [0,1,0,1,0,0|2,0,0]=4 4769 B8R1.54 NC(C(=O)O)C1CC1 MCULE-1974514713 [0,1,0,1,0,0|1,0,0]=3 4770 B8R1.54 NC(C(=O)O)C1CC1 MCULE-3126466096 [0,1,0,1,0,0|1,0,0]=3 4771 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-5662004537 [0,1,0,1,0,0|1,0,0]=3 4772 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-9004548949 [0,1,0,1,0,0|1,0,0]=3 4773 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-4323013494 [0,1,0,1,0,0|1,0,0]=3 4774 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-9475774396 [0,1,0,1,0,0|1,0,0]=3 4775 B8R1.54 O=C(O)C(=O)C1CC1 MCULE-2935818452 [0,1,0,1,0,0|1,0,1]=4 4776 B8R1.54 O=C(O)C(F)C1CC1 MCULE-4799246955 [0,1,0,1,0,0|1,0,0]=3 4777 B8R1.54 O=C(O)C(O)C1CC1 MCULE-9945035089 [0,1,0,1,0,0|1,0,0]=3 4778 B8R1.54 O=C(O)[C@@H](O)C1CC1 MCULE-2409990996 [0,1,0,1,0,0|1,0,0]=3 4779 B8R1.54 O=C(O)[C@H](O)C1CC1 MCULE-2255829314 [0,1,0,1,0,0|1,0,0]=3 4780 B8R1.78 CC(=O)C1(CCC1)C MCULE-7668067765 [0,1,0,1,0,0|2,0,0]=4 4781 B8R1.78 CC(=O)C1(CCC1)O MCULE-9112690180 [0,1,0,1,0,0|2,0,0]=4 4782 B8R1.78 CC(=O)C1(CNC1)F MCULE-3665722852 [0,1,0,1,0,0|2,0,0]=4 4783 B8R1.78 CC(=O)C1(CNC1)F MCULE-6096163194 [0,1,0,1,0,0|2,0,0]=4 4784 B8R1.78 CC(=O)C1(COC1)C MCULE-3650835000 [0,1,0,1,0,0|1,1,0]=4 4785 B8R1.78 CC1(CCC1)C(=O)Cl MCULE-4438397604 [0,1,0,1,0,0|2,0,0]=4 4786 B8R1.78 CC1(CCC1)C(=O)O MCULE-8539228760 [0,1,0,1,0,0|1,0,0]=3 4787 B8R1.78 CC1(CCO1)C(=O)O MCULE-3206195959 [0,1,0,1,0,0|2,0,0]=4 4788 B8R1.78 CC1(CNC1)C(=O)N MCULE-5961415095 [0,1,0,1,0,0|2,0,0]=4 4789 B8R1.78 CC1(CNC1)C(=O)N MCULE-6950504484 [0,1,0,1,0,0|2,0,0]=4 4790 B8R1.78 CC1(CNC1)C(=O)O MCULE-3626067455 [0,1,0,1,0,0|1,0,0]=3 4791 B8R1.78 CC1(CNC1)C(=O)O MCULE-7316902394 [0,1,0,1,0,0|1,0,0]=3 4792 B8R1.78 CC1(COC1)C(=O)O MCULE-6360656030 [0,1,0,1,0,0|0,1,0]=3 4793 B8R1.78 CC1(CSC1)N(=O)=O MCULE-7881889011 [0,1,0,1,0,0|1,0,1]=4 4794 B8R1.78 C[C@@]1(CCO1)C(=O)O MCULE-1153504060 [0,1,0,1,0,0|2,0,0]=4 4795 B8R1.78 NC(=O)C1(CCC1)Br MCULE-3386940591 [0,1,0,1,0,0|2,0,0]=4 4796 B8R1.78 NC(=O)C1(CCC1)N MCULE-1043802844 [0,1,0,1,0,0|2,0,0]=4 4797 B8R1.78 NC(=O)C1(CCC1)N MCULE-8757108427 [0,1,0,1,0,0|2,0,0]=4 4798 B8R1.78 NC(=O)C1(CCC1)O MCULE-9017924933 [0,1,0,1,0,0|2,0,0]=4 4799 B8R1.78 NC(=O)C1(CNC1)O MCULE-4705401931 [0,1,0,1,0,0|2,0,0]=4 4800 B8R1.78 NC(=O)C1(CNC1)O MCULE-6961987506 [0,1,0,1,0,0|2,0,0]=4 4801 B8R1.78 NC(=O)C1(COC1)N MCULE-1019126091 [0,1,0,1,0,0|1,1,0]=4 4802 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-4330568570 [0,1,0,1,0,0|2,0,0]=4 4803 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-9506658674 [0,1,0,1,0,0|2,0,0]=4 4804 B8R1.78 NC1(CCC1)C(=O)O MCULE-7741753062 [0,1,0,1,0,0|1,0,0]=3 4805 B8R1.78 NC1(CCC1)C(=O)O MCULE-8986168461 [0,1,0,1,0,0|1,0,0]=3 4806 B8R1.78 NC1(CNC1)C(=O)O MCULE-1078717796 [0,1,0,1,0,0|1,0,0]=3 4807 B8R1.78 NC1(CNC1)C(=O)O MCULE-1597584418 [0,1,0,1,0,0|1,0,0]=3 4808 B8R1.78 NC1(COC1)C(=O)O MCULE-2048452241 [0,1,0,1,0,0|0,1,0]=3 4809 B8R1.78 NC1(CSC1)C(=O)O MCULE-3865165435 [0,1,0,1,0,0|0,0,0]=2 4810 B8R1.78 NC1(CSC1)C(=O)O MCULE-7335919130 [0,1,0,1,0,0|0,0,0]=2 4811 B8R1.78 O=C(O)C1(CCC1)Br MCULE-2468093858 [0,1,0,1,0,0|1,0,0]=3 4812 B8R1.78 O=C(O)C1(CCC1)F MCULE-5784376163 [0,1,0,1,0,0|1,0,0]=3 4813 B8R1.78 O=C(O)C1(CCC1)O MCULE-3418659917 [0,1,0,1,0,0|1,0,0]=3 4814 B8R1.78 O=C(O)C1(CNC1)F MCULE-7253312158 [0,1,0,1,0,0|1,0,0]=3 4815 B8R1.78 O=C(O)C1(CNC1)O MCULE-3436636334 [0,1,0,1,0,0|1,0,0]=3 4816 B8R1.78 O=C(O)C1(CNC1)O MCULE-4261639250 [0,1,0,1,0,0|1,0,0]=3 4817 B8R1.78 O=C(O)C1(COC1)O MCULE-7009915692 [0,1,0,1,0,0|0,1,0]=3 4818 B8R1.77 C1(CC1(C)C)C(=O)N MCULE-5718477060 [0,1,0,1,0,0|2,0,0]=4 4819 B8R1.77 CC(=O)C1CC1(C)C MCULE-5036637605 [0,1,0,1,0,0|2,0,0]=4 4820 B8R1.77 CC1(CC1C(=O)Cl)C MCULE-4090499692 [0,1,0,1,0,0|2,0,0]=4 4821 B8R1.77 CC1(CC1C(=O)N)C MCULE-5357702152 [0,1,0,1,0,0|2,0,0]=4 4822 B8R1.77 CC1(CC1C(=O)O)Br MCULE-8354202393 [0,1,0,1,0,0|1,0,0]=3 4823 B8R1.77 CC1(CC1C(=O)O)C MCULE-1018303180 [0,1,0,1,0,0|1,0,0]=3 4824 B8R1.77 CC1(C[C@@H]1C(=O)N)C MCULE-5378835991 [0,1,0,1,0,0|2,0,0]=4 4825 B8R1.77 CC1(C[C@@H]1C(=O)N)C MCULE-9161411761 [0,1,0,1,0,0|2,0,0]=4 4826 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8058233700 [0,1,0,1,0,0|1,0,0]=3 4827 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8306311088 [0,1,0,1,0,0|1,0,0]=3 4828 B8R1.77 CC1(C[C@H]1C(=O)O)C MCULE-1908265175 [0,1,0,1,0,0|1,0,0]=3 4829 B8R1.77 CC1(OC1C(=O)O)C MCULE-6178976856 [0,1,0,1,0,0|2,0,0]=4 4830 B8R1.77 O=C(O)C1CC1(Br)Br MCULE-7358606014 [0,1,0,1,0,0|2,0,0]=4 4831 B8R1.77 O=C(O)C1CC1(Cl)Cl MCULE-6063199100 [0,1,0,1,0,0|2,0,0]=4 4832 B8R1.77 O=C(O)C1CC1(F)Cl MCULE-3259140974 [0,1,0,1,0,0|2,0,0]=4 4833 B8R1.77 O=C(O)C1CC1(F)F MCULE-2294378507 [0,1,0,1,0,0|2,0,0]=4 4834 B8R1.77 O=C(O)C1CC1(F)F MCULE-7749595525 [0,1,0,1,0,0|2,0,0]=4 4835 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-1169025364 [0,1,0,1,0,0|2,0,0]=4 4836 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-8477839387 [0,1,0,1,0,0|2,0,0]=4 4837 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-4058307455 [0,1,0,1,0,0|2,0,0]=4 4838 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-5570539448 [0,1,0,1,0,0|2,0,0]=4 4839 B8R1.77 [C@H]1(CC1(C)C)C(=O)N MCULE-6467459637 [0,1,0,1,0,0|2,0,0]=4 4840 B8R2.4 O=C1CC2CC1C2 MCULE-5372379094 [0,0,0,2,0,0|2,0,0]=4 4841 B8R2.18 O=C1CC2CC2C1 MCULE-4411193370 [0,0,0,2,0,0|2,0,0]=4 4842 B8R2.18 O=C1CC2CC2N1 MCULE-6301280583 [0,0,0,2,0,0|2,0,0]=4 4843 B8R2.18 O=C1CC2OC2C1 MCULE-2497020989 [0,0,0,2,0,0|1,1,0]=4 4844 B8R2.18 O=C1C[C@@H]2C[C@@H]2C1 MCULE-3069760916 [0,0,0,2,0,0|2,0,0]=4 4845 B8R2.38 O=C1CCC2C1C2 MCULE-4714285285 [0,0,0,2,0,0|2,0,0]=4 4846 B8R2.38 O=C1CC[C@@H]2[C@H]1C2 MCULE-7728867768 [0,0,0,2,0,0|2,0,0]=4 4847 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-1007541778 [0,0,0,2,0,0|2,0,0]=4 4848 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-8077752466 [0,0,0,2,0,0|2,0,0]=4 4849 B8R2.38 O=C1NCC2C1C2 MCULE-5593114305 [0,0,0,2,0,0|2,0,0]=4 4850 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 MCULE-6438081695 [0,0,0,2,0,0|2,0,0]=4 4851 B8R2.53 O=C1CC2(C1)CC2 MCULE-9599930498 [0,0,0,2,0,0|2,0,0]=4