0 B8R0.7 C#CCCNCC(=O)O Z4916843541 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.7 C#CCCOCC(=O)O Z1205655947 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.7 C#CCOCCC(=O)O Z362807240 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.7 C=CCCOCC(=O)O Z362807886 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.7 C=CCNCCC(=O)O Z3388124649 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.7 CC#CCCCC(=O)O Z1205494323 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.7 CC#CCNCC(=O)O Z4923954034 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.7 CC(=O)CCCCC#N Z2350907379 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.7 CC(=O)NCCCCN Z600498842 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.7 CC(C)CCCCCO Z1198149583 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.7 CC(C)CSCCCN Z57970257 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.7 CCCCCCC(=N)N Z4088236340 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.7 CCCCCCC(=O)O Z104474412 [0,0,0,0,0,0|1,0,0]=1 13 B8R0.7 CCCCCCC(C)N Z104477186 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.7 CCCCCNC(=N)N Z1090000368 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.7 CCCCNCC(=O)N Z398513412 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.7 CCCCOCC(=O)O Z409190912 [0,0,0,0,0,0|2,0,0]=2 17 B8R0.7 CCCCSCC(=O)O Z239951532 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.7 CCNCCNC(=O)C Z123868526 [0,0,0,0,0,0|4,0,0]=4 21 B8R0.7 CCOCCCC(=O)O Z316258950 [0,0,0,0,0,0|2,0,0]=2 22 B8R0.7 CCOCCNC(=O)N Z432417116 [0,0,0,0,0,0|4,0,0]=4 23 B8R0.7 CCSCCCC(=N)N Z1861964086 [0,0,0,0,0,0|4,0,0]=4 24 B8R0.7 CN(C)CCCCCN Z3247604067 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.7 CN(C)CCCCCO Z968555516 [0,0,0,0,0,0|4,0,0]=4 26 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,0,0,0,0,0|2,0,0]=2 27 B8R0.7 CNCCCNC(=O)C Z1269638441 [0,0,0,0,0,0|4,0,0]=4 28 B8R0.7 COCCCCC(=O)O Z362633826 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.7 COCCCNC(=O)N Z56979275 [0,0,0,0,0,0|4,0,0]=4 30 B8R0.7 COCCCOC(=O)C Z1123440688 [0,0,0,0,0,0|4,0,0]=4 31 B8R0.7 COCCNCC(=O)N Z1262250392 [0,0,0,0,0,0|4,0,0]=4 32 B8R0.7 COCCNCC(=O)O Z1276446903 [0,0,0,0,0,0|3,0,0]=3 33 B8R0.7 COCCOCC(=O)C Z447894346 [0,0,0,0,0,0|4,0,0]=4 34 B8R0.7 COCCOCC(=O)O Z104477918 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.7 COCCSCC(=O)O Z167837764 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.7 CSCCCCC(=O)O Z732206636 [0,0,0,0,0,0|2,0,0]=2 37 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,0,0,0,0,0|3,0,0]=3 38 B8R0.7 N#CCCSCC(=O)O Z1205494587 [0,0,0,0,0,0|1,0,2]=3 39 B8R0.7 N=C(N)NCCCCN Z2472857139 [0,0,0,0,0,0|3,0,0]=3 40 B8R0.7 N=C(N)SCCCCN Z4741653362 [0,0,0,0,0,0|3,0,0]=3 41 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,0,0,0,0,0|0,0,0]=0 42 B8R0.7 NCCCOCC(=O)O Z3178895188 [0,0,0,0,0,0|1,0,0]=1 43 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,0,0,0,0,0|1,0,0]=1 44 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,0,0,0,0,0|1,0,0]=1 45 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,0,0,0,0,0|1,0,0]=1 46 B8R0.7 O=C(O)CCNCCO Z53116574 [0,0,0,0,0,0|2,0,0]=2 47 B8R0.7 O=C([O-])CNCCCO Z5147896273 [0,0,0,0,0,0|2,0,1]=3 48 B7R0.1 C#CCOCCCN Z4502872707 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.1 CCCCCCCO Z104473596 [1,0,0,0,0,0|1,0,1]=3 50 B7R0.1 CCCCCCNC Z5419328797 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.1 CCCCOCCN Z409191398 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.1 CCCOCCCO Z1080358966 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.1 CCOCCCCO Z993012560 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.1 CNCCCCCN Z4097840720 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.1 COCCCCCN Z608347192 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.1 COCCCCCO Z993012416 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.1 COCCNCCN Z2940670642 [1,0,0,0,0,0|3,0,0]=4 58 B7R0.1 COCCOCCN Z285178622 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.1 CSCCCCCN Z823285026 [1,0,0,0,0,0|2,0,0]=3 60 B7R0.1 CSCCCCCO Z968557058 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.1 NCCCCCCN Z104473514 [1,0,0,0,0,0|1,0,1]=3 62 B7R0.1 NCCOCCCO Z2044949087 [1,0,0,0,0,0|1,0,1]=3 63 B7R0.1 NCCSCCCO Z406685362 [1,0,0,0,0,0|1,0,1]=3 64 B7R0.1 OCCCCCCBr Z1255398867 [1,0,0,0,0,0|1,0,1]=3 65 B7R0.1 OCCCCCCO Z104473540 [1,0,0,0,0,0|1,0,1]=3 66 B7R0.1 OCCCNCCO Z104654390 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.1 OCCCOCCO Z1373668758 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.1 OCCCSCCO Z149155194 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.4 C#CCNCC(=O)O Z2513337624 [1,0,0,0,0,0|1,0,2]=4 70 B7R0.4 C#CCOCC(=O)O Z362807246 [1,0,0,0,0,0|1,0,2]=4 71 B7R0.4 C#CCSCC(=O)O Z149151642 [1,0,0,0,0,0|1,0,2]=4 72 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,0,0,0,0,0|0,0,2]=3 73 B7R0.4 C=CCNCC(=O)O Z803145546 [1,0,0,0,0,0|1,0,2]=4 74 B7R0.4 C=CCOCC(=O)O Z362807794 [1,0,0,0,0,0|1,0,2]=4 75 B7R0.4 C=CCSCC(=O)O Z149151274 [1,0,0,0,0,0|1,0,2]=4 76 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,0,0,0,0,0|0,0,2]=3 77 B7R0.4 CC(=O)NCCCN Z295405102 [1,0,0,0,0,0|2,0,0]=3 78 B7R0.4 CC(=O)NCCCO Z353570744 [1,0,0,0,0,0|3,0,0]=4 79 B7R0.4 CC(C)CCCCN Z1250132304 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.4 CC(N)CCCCN Z2186882580 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,0,0,0,0,0|0,0,2]=3 82 B7R0.4 CCCCCC(=N)N Z3490473907 [1,0,0,0,0,0|2,0,0]=3 83 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,0,0,0,0|0,0,0]=1 84 B7R0.4 CCCCCC(C)N Z104495176 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.4 CCCCNC(=S)N Z56930717 [1,0,0,0,0,0|2,1,0]=4 86 B7R0.4 CCCCOC(=O)N Z104476286 [1,0,0,0,0,0|2,0,0]=3 87 B7R0.4 CCCNCC(=O)N Z2211231296 [1,0,0,0,0,0|2,0,0]=3 88 B7R0.4 CCCNCC(=O)O Z744582718 [1,0,0,0,0,0|1,0,0]=2 89 B7R0.4 CCCOCC(=O)O Z406677750 [1,0,0,0,0,0|1,0,0]=2 90 B7R0.4 CCCSCC(=O)C Z447929234 [1,0,0,0,0,0|2,0,0]=3 91 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,0,0,0,0|1,0,0]=2 92 B7R0.4 CCNCCC(=O)N Z2681234913 [1,0,0,0,0,0|2,0,0]=3 93 B7R0.4 CCNCCC(=O)O Z1869802098 [1,0,0,0,0,0|1,0,0]=2 94 B7R0.4 CCOCCC(=O)O Z316258938 [1,0,0,0,0,0|1,0,0]=2 95 B7R0.4 CCSCCC(=O)O Z197206046 [1,0,0,0,0,0|1,0,0]=2 96 B7R0.4 CN(C)CCCCN Z285162754 [1,0,0,0,0,0|3,0,0]=4 97 B7R0.4 CNCCCC(=O)O Z57043473 [1,0,0,0,0,0|1,0,0]=2 98 B7R0.4 CNCCNC(=O)C Z1456777974 [1,0,0,0,0,0|3,0,0]=4 99 B7R0.4 COCCCC(=N)N Z1267882086 [1,0,0,0,0,0|3,0,0]=4 100 B7R0.4 COCCCC(=O)C Z406376722 [1,0,0,0,0,0|2,0,0]=3 101 B7R0.4 COCCCC(=O)O Z316258912 [1,0,0,0,0,0|1,0,0]=2 102 B7R0.4 COCCCC(C)O Z854048762 [1,0,0,0,0,0|2,0,1]=4 103 B7R0.4 COCCNC(=O)N Z56904572 [1,0,0,0,0,0|3,0,0]=4 104 B7R0.4 CSCCCC(=O)O Z54602911 [1,0,0,0,0,0|1,0,0]=2 105 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,0,0,0,0,0|0,0,2]=3 106 B7R0.4 N#CCSCC(=O)O Z19691779 [1,0,0,0,0,0|1,0,2]=4 107 B7R0.4 NC(=O)COCCO Z1198148880 [1,0,0,0,0,0|3,0,0]=4 108 B7R0.4 NC(=O)NCCCO Z198194722 [1,0,0,0,0,0|3,0,0]=4 109 B7R0.4 NCCCCC(=O)N Z1639630947 [1,0,0,0,0,0|1,0,0]=2 110 B7R0.4 NCCCCC(=O)O Z271111992 [1,0,0,0,0,0|0,0,0]=1 111 B7R0.4 NCCCCC(F)F Z4580667156 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.4 NCCCOC(=O)N Z3337481796 [1,0,0,0,0,0|2,0,0]=3 113 B7R0.4 NCCNCC(=O)O Z2692249907 [1,0,0,0,0,0|1,0,0]=2 114 B7R0.4 NCCOCC(=O)N Z1428158847 [1,0,0,0,0,0|2,0,0]=3 115 B7R0.4 NCCOCC(=O)O Z1650039500 [1,0,0,0,0,0|1,0,0]=2 116 B7R0.4 NCCSCC(=O)O Z1381287295 [1,0,0,0,0,0|1,0,0]=2 117 B7R0.4 O=C(O)CCCCBr Z104479696 [1,0,0,0,0,0|1,0,0]=2 118 B7R0.4 O=C(O)CCCCS Z808230828 [1,0,0,0,0,0|1,0,0]=2 119 B7R0.4 O=C(O)CNCCO Z425411352 [1,0,0,0,0,0|2,0,0]=3 120 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,0,0,0,0,0|1,0,1]=3 121 B7R0.4 O=C([O-])COCCO Z1744715804 [1,0,0,0,0,0|2,0,1]=4 122 B9R0.1 CC(C)CCCC(C)CN Z5875145536 [0,1,0,0,0,0|2,0,1]=4 123 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [0,1,0,0,0,0|2,0,1]=4 124 B9R0.1 CN(CCCC(=O)O)N=O Z1198155577 [0,1,0,0,0,0|3,0,0]=4 125 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [0,1,0,0,0,0|2,0,1]=4 126 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [0,1,0,0,0,0|2,0,1]=4 127 B9R0.2 C#CCCCCCC(=O)O Z1205493707 [0,1,0,0,0,0|1,0,0]=2 128 B9R0.2 C=CCOCCCC(=O)O Z362807808 [0,1,0,0,0,0|1,0,1]=3 129 B9R0.2 CC(=O)NCCOCCO Z353623894 [0,1,0,0,0,0|3,0,0]=4 130 B9R0.2 CCCCCCCC(=O)O Z104495238 [0,1,0,0,0,0|1,0,0]=2 131 B9R0.2 CCCCCCNC(=S)N Z55992996 [0,1,0,0,0,0|2,1,0]=4 132 B9R0.2 CCCCCNCC(=O)N Z104536260 [0,1,0,0,0,0|2,0,0]=3 133 B9R0.2 CCCCCOCC(=O)O Z409357548 [0,1,0,0,0,0|1,0,0]=2 134 B9R0.2 CCCCSCCC(=O)O Z149304844 [0,1,0,0,0,0|1,0,0]=2 135 B9R0.2 CCNCCCCC(=O)O Z2893830564 [0,1,0,0,0,0|1,0,0]=2 136 B9R0.2 CCOCCCNC(=O)N Z56985786 [0,1,0,0,0,0|3,0,0]=4 137 B9R0.2 CCOCCOCC(=O)O Z316258972 [0,1,0,0,0,0|2,0,0]=3 138 B9R0.2 COCCNCCC(=O)O Z53116030 [0,1,0,0,0,0|2,0,0]=3 139 B9R0.2 COCCOCCC(=O)O Z316259200 [0,1,0,0,0,0|2,0,0]=3 140 B9R0.2 NC(=O)NCCOCCO Z198194948 [0,1,0,0,0,0|3,0,0]=4 141 B9R0.2 NCCCCCCC(=O)O Z56896351 [0,1,0,0,0,0|0,0,0]=1 142 B9R0.2 NCCOCCCC(=O)O Z5080450038 [0,1,0,0,0,0|0,0,0]=1 143 B9R0.2 O=C(O)CCNCCCO Z53116999 [0,1,0,0,0,0|1,0,0]=2 144 B9R0.4 C#CCCN(C)CC(=O)O Z1259273352 [0,1,0,0,0,0|2,0,1]=4 145 B9R0.4 CC(CC(=O)O)NCCO Z431539096 [0,1,0,0,0,0|2,0,0]=3 146 B9R0.4 NCCCC(=O)NC(=O)N Z1416282444 [0,1,0,0,0,0|2,0,1]=4 147 B9R0.38 CS(=O)(=O)CCCCCN Z1723549314 [0,1,0,0,0,0|1,0,1]=3 148 B9R0.38 CS(=O)(=O)CCOCCN Z1262237291 [0,1,0,0,0,0|2,0,1]=4 149 B9R0.38 NCCOCCS(=O)(=O)N Z2065464324 [0,1,0,0,0,0|2,0,1]=4 150 B9R0.46 CCCCCCC(C)CO Z1238840360 [0,1,0,0,0,0|2,0,1]=4 151 B9R0.46 CCCCCCC(C)OC Z1416182763 [0,1,0,0,0,0|2,0,1]=4 152 B9R0.46 CCCCCNC(=O)CCl Z147647946 [0,1,0,0,0,0|3,0,0]=4 153 B9R0.46 CCCCCNC(=O)NN Z234895165 [0,1,0,0,0,0|3,0,0]=4 154 B9R0.46 CNCCCCC(=O)NC Z5446045777 [0,1,0,0,0,0|3,0,0]=4 155 B9R0.46 COC(=O)CCCCCN Z57012282 [0,1,0,0,0,0|0,0,0]=1 156 B9R0.46 COC(=O)CCSCCN Z440803698 [0,1,0,0,0,0|1,0,0]=2 157 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [0,1,0,0,0,0|1,0,1]=3 158 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [0,1,0,0,0,0|1,0,1]=3 159 B9R0.47 C=CCCOC(C)C(=O)O Z362807908 [0,1,0,0,0,0|2,0,1]=4 160 B9R0.47 CC(CSCCN)C(=O)O Z2379806326 [0,1,0,0,0,0|1,0,0]=2 161 B9R0.47 CCC/C=C/C(O)C(=O)O Z2681277218 [0,1,0,0,0,0|1,0,2]=4 162 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,1,0,0,0,0|1,0,0]=2 163 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [0,1,0,0,0,0|2,0,0]=3 164 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [0,1,0,0,0,0|2,0,0]=3 165 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,1,0,0,0,0|2,0,0]=3 166 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,1,0,0,0,0|2,0,0]=3 167 B9R0.47 COCCOC(C)C(=O)O Z316259198 [0,1,0,0,0,0|3,0,0]=4 168 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,1,0,0,0,0|2,0,0]=3 169 B9R0.47 NCC#CCC(N)C(=O)O Z1650644415 [0,1,0,0,0,0|0,0,2]=3 170 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,1,0,0,0,0|0,0,0]=1 171 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,1,0,0,0,0|0,0,0]=1 172 B9R0.48 CCCC(=O)NCC(=O)O Z285193236 [0,1,0,0,0,0|2,0,1]=4 173 B9R0.48 CCCN(C)CCC(=O)O Z1259273124 [0,1,0,0,0,0|2,0,0]=3 174 B9R0.48 CCNC(=O)CCC(=O)O Z90312637 [0,1,0,0,0,0|2,0,1]=4 175 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [0,1,0,0,0,0|2,0,1]=4 176 B9R0.48 CN(CCO)CCC(=O)O Z53116523 [0,1,0,0,0,0|2,0,0]=3 177 B9R0.48 COCC(C)NCC(=O)O Z1259273105 [0,1,0,0,0,0|3,0,0]=4 178 B9R0.48 NCCC(=O)NCC(=O)O Z1901071297 [0,1,0,0,0,0|1,0,1]=3 179 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [0,1,0,0,0,0|1,0,0]=2 180 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [0,1,0,0,0,0|2,0,0]=3 181 B9R0.55 CC(C)CCSCC(=O)O Z228589154 [0,1,0,0,0,0|2,0,0]=3 182 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [0,1,0,0,0,0|2,0,0]=3 183 B9R0.55 CC(C)COCCC(=O)O Z316259216 [0,1,0,0,0,0|2,0,0]=3 184 B9R0.55 CC(C)CSCCC(=O)O Z54708723 [0,1,0,0,0,0|2,0,0]=3 185 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [0,1,0,0,0,0|2,0,0]=3 186 B9R0.55 CC(C)OCCCC(=O)O Z316259254 [0,1,0,0,0,0|2,0,0]=3 187 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [0,1,0,0,0,0|0,0,0]=1 188 B9R0.55 CN(C)CCCCC(=O)O Z1259273153 [0,1,0,0,0,0|2,0,0]=3 189 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [0,1,0,0,0,0|0,0,1]=2 190 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [0,1,0,0,0,0|1,0,1]=3 191 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [0,1,0,0,0,0|1,0,1]=3 192 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [0,1,0,0,0,0|1,0,1]=3 193 B9R0.55 O=C(O)CCOCC(F)F Z1375308185 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.2 CC1COCC(O1)CN Z4877532429 [0,0,0,1,0,0|2,0,1]=4 195 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [0,0,0,1,0,0|3,0,0]=4 196 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [0,0,0,1,0,0|2,0,0]=3 197 B9R1.2 CCC1CCCC(C1)O Z1192057272 [0,0,0,1,0,0|2,0,1]=4 198 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [0,0,0,1,0,0|3,0,0]=4 199 B9R1.2 COC1CCCC(=O)N1 Z1203731823 [0,0,0,1,0,0|3,0,0]=4 200 B9R1.2 C[C@@H]1CCC[C@@H](N1)CN Z3617085231 [0,0,0,1,0,0|2,0,1]=4 201 B9R1.2 N#CC1CCCC(=O)C1 Z907709920 [0,0,0,1,0,0|1,0,2]=4 202 B9R1.2 NCC1CCCC(C1)F Z2429425744 [0,0,0,1,0,0|2,0,1]=4 203 B9R1.2 NC[C@@H]1C[C@@H](CCO1)O Z3200658572 [0,0,0,1,0,0|2,0,1]=4 204 B9R1.2 O=C1CC(CCN1)CO Z1255502253 [0,0,0,1,0,0|3,0,0]=4 205 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [0,0,0,1,0,0|2,0,0]=3 206 B9R1.2 O=C1CNC[C@@H](N1)CO Z1203822229 [0,0,0,1,0,0|3,0,0]=4 207 B9R1.2 O=C1CNC[C@H](N1)CO Z1203822228 [0,0,0,1,0,0|3,0,0]=4 208 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,0,0,1,0,0|1,0,0]=2 209 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,0,0,1,0,0|3,0,0]=4 210 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [0,0,0,1,0,0|3,0,0]=4 211 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [0,0,0,1,0,0|3,0,0]=4 212 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,0,0,1,0,0|1,0,0]=2 213 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,0,0,1,0,0|1,0,0]=2 214 B9R1.6 CC(C)C1CCCCN1 Z1269638432 [0,0,0,1,0,0|2,0,1]=4 215 B9R1.6 CC(O)C1CCCCC1 Z445987098 [0,0,0,1,0,0|2,0,1]=4 216 B9R1.6 CC(O)C1CCCCN1 Z995042172 [0,0,0,1,0,0|1,0,1]=3 217 B9R1.6 C[C@@H](O)C1CCCCC1 Z959151676 [0,0,0,1,0,0|2,0,1]=4 218 B9R1.6 FC(F)C1CCCCN1 Z1222423573 [0,0,0,1,0,0|2,0,1]=4 219 B9R1.6 N=C(N)C1CCCCC1 Z317027412 [0,0,0,1,0,0|3,0,0]=4 220 B9R1.6 N=C(N)C1CCCCN1 Z1269145449 [0,0,0,1,0,0|2,0,0]=3 221 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,0,0,1,0,0|2,0,0]=3 222 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,0,0,1,0,0|1,0,0]=2 223 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [0,0,0,1,0,0|3,0,0]=4 224 B9R1.6 NC(=O)C1CCNCC1 Z1450533743 [0,0,0,1,0,0|3,0,0]=4 225 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [0,0,0,1,0,0|3,0,0]=4 226 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [0,0,0,1,0,0|2,0,0]=3 227 B9R1.6 NC(=O)C1CNCCO1 Z854097660 [0,0,0,1,0,0|3,0,0]=4 228 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [0,0,0,1,0,0|2,0,0]=3 229 B9R1.6 NC(=O)N1CCCCC1 Z56917364 [0,0,0,1,0,0|3,0,0]=4 230 B9R1.6 NC(=O)[C@@H]1CNCCO1 Z2434225518 [0,0,0,1,0,0|3,0,0]=4 231 B9R1.6 NC(=O)[C@H]1CNCCO1 Z2434225532 [0,0,0,1,0,0|3,0,0]=4 232 B9R1.6 O=C(O)C1=CCCNC1 Z1198149389 [0,0,0,1,0,0|2,0,1]=4 233 B9R1.6 O=C(O)C1=CCCSC1 Z1172114103 [0,0,0,1,0,0|2,0,1]=4 234 B9R1.6 O=C(O)C1=COCCC1 Z1013753084 [0,0,0,1,0,0|2,0,1]=4 235 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [0,0,0,1,0,0|1,0,1]=3 236 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [0,0,0,1,0,0|0,0,2]=3 237 B9R1.6 O=C(O)C1C=CCNC1 Z3488456277 [0,0,0,1,0,0|2,0,1]=4 238 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [0,0,0,1,0,0|1,0,2]=4 239 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,0,0,1,0,0|0,0,2]=3 240 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,0,0,1,0,0|1,0,0]=2 241 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,0,0,1,0,0|0,0,0]=1 242 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,0,0,1,0,0|1,0,0]=2 243 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,0,0,1,0,0|2,0,0]=3 244 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,0,0,1,0,0|2,0,0]=3 245 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,0,0,1,0,0|2,0,0]=3 246 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [0,0,0,1,0,0|2,0,0]=3 247 B9R1.6 O=C(O)C1CCNC=N1 Z2471799191 [0,0,0,1,0,0|1,0,2]=4 248 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,0,0,1,0,0|2,0,0]=3 249 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,0,0,1,0,0|2,0,0]=3 250 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,0,0,1,0,0|2,0,0]=3 251 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,0,0,1,0,0|1,0,0]=2 252 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,0,0,1,0,0|1,0,0]=2 253 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,0,0,1,0,0|1,0,0]=2 254 B9R1.6 O=C(O)C1COCCO1 Z362763682 [0,0,0,1,0,0|2,0,0]=3 255 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,0,0,1,0,0|2,0,0]=3 256 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [0,0,0,1,0,0|2,0,0]=3 257 B9R1.6 O=C(O)C1SCSCS1 Z221524182 [0,0,0,1,0,0|3,0,0]=4 258 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,0,0,1,0,0|0,0,0]=1 259 B9R1.6 OB(O)C1CCCCC1 Z56789446 [0,0,0,1,0,0|2,0,1]=4 260 B9R1.7 CC1CCC(C1)CCN Z3271769493 [0,0,0,1,0,0|2,0,1]=4 261 B9R1.7 CCCC1CNC(=O)C1 Z1201628058 [0,0,0,1,0,0|3,0,0]=4 262 B9R1.7 CNCC1COC(=O)O1 Z3827160287 [0,0,0,1,0,0|3,0,0]=4 263 B9R1.7 CNC[C@@H]1CCC(=O)N1 Z2941365002 [0,0,0,1,0,0|3,0,0]=4 264 B9R1.7 N#CCC1CCC(=O)N1 Z255150040 [0,0,0,1,0,0|1,0,2]=4 265 B9R1.7 O=C1CC(CN1)CCO Z1504681971 [0,0,0,1,0,0|3,0,0]=4 266 B9R1.9 CC1CC(C1)CCCN Z5102110275 [0,0,0,1,0,0|2,0,1]=4 267 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [0,0,0,1,0,0|2,0,0]=3 268 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [0,0,0,1,0,0|3,0,0]=4 269 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [0,0,0,1,0,0|3,0,0]=4 270 B9R1.13 CC(C)CC1CCCN1 Z2301511576 [0,0,0,1,0,0|2,0,1]=4 271 B9R1.13 CC(O)CC1CCCN1 Z1203731942 [0,0,0,1,0,0|1,0,1]=3 272 B9R1.13 N=C(N)CC1CCCC1 Z2092177104 [0,0,0,1,0,0|3,0,0]=4 273 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [0,0,0,1,0,0|2,0,0]=3 274 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [0,0,0,1,0,0|1,0,0]=2 275 B9R1.13 NC(=O)CN1CCCC1 Z1184886892 [0,0,0,1,0,0|3,0,0]=4 276 B9R1.13 NC(=O)NC1CCCC1 Z56896930 [0,0,0,1,0,0|3,0,0]=4 277 B9R1.13 O=C(O)C=C1CCCC1 Z352748244 [0,0,0,1,0,0|1,0,2]=4 278 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [0,0,0,1,0,0|1,0,1]=3 279 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [0,0,0,1,0,0|1,0,0]=2 280 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [0,0,0,1,0,0|0,0,0]=1 281 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [0,0,0,1,0,0|2,0,0]=3 282 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [0,0,0,1,0,0|2,0,0]=3 283 B9R1.13 O=C(O)CC1OCCO1 Z1205496445 [0,0,0,1,0,0|2,0,0]=3 284 B9R1.13 O=C(O)CN1CCCC1 Z197269292 [0,0,0,1,0,0|2,0,0]=3 285 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [0,0,0,1,0,0|1,0,0]=2 286 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [0,0,0,1,0,0|2,0,0]=3 287 B9R1.13 OB(O)CC1CCCC1 Z1147227856 [0,0,0,1,0,0|2,0,1]=4 288 B9R1.24 CC1(CCCC1CN)C Z1203586019 [0,0,0,1,0,0|2,0,1]=4 289 B9R1.24 NCC1CCCC1(F)F Z2235681446 [0,0,0,1,0,0|2,0,1]=4 290 B9R1.24 NCC1CCCS1(=O)=O Z1203586543 [0,0,0,1,0,0|1,0,1]=3 291 B9R1.40 CC1(CCCCC1N)C Z1203579141 [0,0,0,1,0,0|2,0,1]=4 292 B9R1.40 CC1CCCCC1(C)O Z449370784 [0,0,0,1,0,0|2,0,1]=4 293 B9R1.40 NC1CCCCC1(F)F Z1415893909 [0,0,0,1,0,0|2,0,1]=4 294 B9R1.41 CC(C)C1CCCC1N Z3278384105 [0,0,0,1,0,0|2,0,1]=4 295 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [0,0,0,1,0,0|1,0,2]=4 296 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [0,0,0,1,0,0|1,0,0]=2 297 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [0,0,0,1,0,0|2,0,0]=3 298 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [0,0,0,1,0,0|2,0,0]=3 299 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [0,0,0,1,0,0|2,0,0]=3 300 B9R1.41 CN(C)C1CCCC1N Z271010464 [0,0,0,1,0,0|3,0,0]=4 301 B9R1.41 CN(C)[C@@H]1CCC[C@H]1N Z3033962105 [0,0,0,1,0,0|3,0,0]=4 302 B9R1.41 CN(C)[C@H]1CCC[C@@H]1N Z1753033013 [0,0,0,1,0,0|3,0,0]=4 303 B9R1.41 CN1CCCC1C(=O)O Z424762078 [0,0,0,1,0,0|2,0,0]=3 304 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [0,0,0,1,0,0|2,0,0]=3 305 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [0,0,0,1,0,0|3,0,0]=4 306 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)N Z2235592159 [0,0,0,1,0,0|3,0,0]=4 307 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [0,0,0,1,0,0|1,0,0]=2 308 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [0,0,0,1,0,0|1,0,0]=2 309 B9R1.41 NC(=O)[C@H]1OCC[C@H]1N Z3719404582 [0,0,0,1,0,0|2,0,0]=3 310 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [0,0,0,1,0,0|0,0,0]=1 311 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [0,0,0,1,0,0|1,0,0]=2 312 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [0,0,0,1,0,0|1,0,0]=2 313 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [0,0,0,1,0,0|0,0,0]=1 314 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [0,0,0,1,0,0|1,0,0]=2 315 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [0,0,0,1,0,0|0,0,0]=1 316 B9R1.41 O=C(O)C1=C(CCC1)Cl Z1198161164 [0,0,0,1,0,0|1,0,2]=4 317 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [0,0,0,1,0,0|1,0,0]=2 318 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [0,0,0,1,0,0|2,0,1]=4 319 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [0,0,0,1,0,0|2,0,0]=3 320 B9R1.48 CC1COCCC(=O)N1 Z1203833663 [0,0,0,1,0,0|3,0,0]=4 321 B9R1.48 O=C1CCCCC(=O)C1 Z607750376 [0,0,0,1,0,0|2,0,1]=4 322 B9R1.50 O=C1CCCCCCC1 Z104474712 [0,0,0,1,0,0|2,0,0]=3 323 B9R1.50 O=C1CCCCNCC1 Z5186715583 [0,0,0,1,0,0|3,0,0]=4 324 B9R1.50 O=C1CCNCCCN1 Z1262578602 [0,0,0,1,0,0|3,0,0]=4 325 B9R1.50 OC1CCCCCCC1 Z104472780 [0,0,0,1,0,0|2,0,1]=4 326 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [0,0,0,1,0,0|1,0,0]=2 327 B9R1.59 CCOC1CC1C(=O)O Z432051730 [0,0,0,1,0,0|2,0,0]=3 328 B9R1.67 CC1CCN1CC(=O)O Z2177030978 [0,0,0,1,0,0|2,0,0]=3 329 B9R1.67 NC1CCC1CC(=O)O Z4080002320 [0,0,0,1,0,0|0,0,0]=1 330 B9R1.77 NCCCC1CC1(Cl)Cl Z2465610714 [0,0,0,1,0,0|2,0,1]=4 331 B9R1.77 NCCCC1CC1(F)F Z2831442847 [0,0,0,1,0,0|2,0,1]=4 332 B9R1.83 CCCCCCC1CO1 Z1020680070 [0,0,0,1,0,0|2,0,1]=4 333 B9R1.84 O=C(O)/C=C/C1CCC1 Z1868431084 [0,0,0,1,0,0|1,0,2]=4 334 B9R1.84 O=C(O)C#CC1CCC1 Z1235950879 [0,0,0,1,0,0|1,0,2]=4 335 B9R1.84 O=C(O)CNC1CCC1 Z4897302450 [0,0,0,1,0,0|2,0,0]=3 336 B9R1.85 NC(=O)COCC1CC1 Z458887542 [0,0,0,1,0,0|3,0,0]=4 337 B9R1.85 O=C(O)CCNC1CC1 Z235346951 [0,0,0,1,0,0|2,0,0]=3 338 B9R1.85 O=C(O)CNCC1CC1 Z359505670 [0,0,0,1,0,0|2,0,0]=3 339 B9R1.85 O=C(O)COCC1CC1 Z332379290 [0,0,0,1,0,0|2,0,0]=3 340 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [0,0,0,1,0,0|0,0,0]=1 341 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [0,0,0,1,0,0|0,0,0]=1 342 B9R1.148 CC1(CCCCCC1)O Z449370874 [0,0,0,1,0,0|2,0,1]=4 343 B9R1.148 N=S1(=O)CCCCCC1 Z3307350620 [0,0,0,1,0,0|3,0,0]=4 344 B6R0.6 C#CCCCCN Z1431002697 [2,0,0,0,0,0|0,0,2]=4 345 B6R0.6 C=CCCCCN Z1198160046 [2,0,0,0,0,0|0,0,1]=3 346 B6R0.6 C=CCOCCN Z976678988 [2,0,0,0,0,0|1,0,1]=4 347 B6R0.6 C=CCSCCN Z1262237162 [2,0,0,0,0,0|1,0,1]=4 348 B6R0.6 CCCCCCO Z104473568 [2,0,0,0,0,0|0,0,1]=3 349 B6R0.6 CCCOCCN Z4449042604 [2,0,0,0,0,0|1,0,1]=4 350 B6R0.6 CCNCCCO Z138139914 [2,0,0,0,0,0|1,0,1]=4 351 B6R0.6 CCOCCCO Z1080358490 [2,0,0,0,0,0|1,0,1]=4 352 B6R0.6 CNCCCCN Z2939606540 [2,0,0,0,0,0|1,0,1]=4 353 B6R0.6 CNCCCCO Z839096662 [2,0,0,0,0,0|1,0,1]=4 354 B6R0.6 COCCCCO Z431605254 [2,0,0,0,0,0|1,0,1]=4 355 B6R0.6 N#CCCCCN Z823279224 [2,0,0,0,0,0|1,0,1]=4 356 B6R0.6 N#CCCCCO Z431952150 [2,0,0,0,0,0|0,0,2]=4 357 B6R0.6 NCC#CCCO Z1203639371 [2,0,0,0,0,0|0,0,2]=4 358 B6R0.6 NCCC#CCO Z4947584692 [2,0,0,0,0,0|0,0,2]=4 359 B6R0.6 NCCCCCF Z3524160733 [2,0,0,0,0,0|1,0,0]=3 360 B6R0.6 NCCCCCN Z951173830 [2,0,0,0,0,0|1,0,0]=3 361 B6R0.6 NCCNCCN Z104475186 [2,0,0,0,0,0|2,0,0]=4 362 B6R0.6 O=CCCCC=O Z57127529 [2,0,0,0,0,0|1,0,1]=4 363 B6R0.6 OCCNCCO Z104475196 [2,0,0,0,0,0|2,0,0]=4 364 B6R0.4 C#CCCC(=O)O Z295890062 [2,0,0,0,0,0|0,0,2]=4 365 B6R0.4 C=CCCC(=O)O Z995028722 [2,0,0,0,0,0|0,0,2]=4 366 B6R0.4 CC(=O)OCCN Z1973465551 [2,0,0,0,0,0|2,0,0]=4 367 B6R0.4 CC(O)CCCN Z1198178891 [2,0,0,0,0,0|1,0,1]=4 368 B6R0.4 CC/C=C/C(=O)O Z2311573931 [2,0,0,0,0,0|0,0,2]=4 369 B6R0.4 CCC#CC(=O)O Z1205493735 [2,0,0,0,0,0|0,0,2]=4 370 B6R0.4 CCCCB(O)O Z1147227739 [2,0,0,0,0,0|1,0,1]=4 371 B6R0.4 CCCCC(=N)N Z1723418909 [2,0,0,0,0,0|2,0,0]=4 372 B6R0.4 CCCCC(=O)N Z104476278 [2,0,0,0,0,0|1,0,0]=3 373 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|0,0,0]=2 374 B6R0.4 CCCNC(=O)C Z33030314 [2,0,0,0,0,0|2,0,0]=4 375 B6R0.4 CCCOC(=O)N Z1198148877 [2,0,0,0,0,0|2,0,0]=4 376 B6R0.4 CCNCC(=O)N Z1459435506 [2,0,0,0,0,0|2,0,0]=4 377 B6R0.4 CCNCC(=O)O Z744593094 [2,0,0,0,0,0|1,0,0]=3 378 B6R0.4 CCOCC(=O)O Z104495232 [2,0,0,0,0,0|1,0,0]=3 379 B6R0.4 CNCCC(=O)C Z1536943318 [2,0,0,0,0,0|2,0,0]=4 380 B6R0.4 COCCC(=O)C Z362119682 [2,0,0,0,0,0|2,0,0]=4 381 B6R0.4 COCCC(=O)N Z394696458 [2,0,0,0,0,0|2,0,0]=4 382 B6R0.4 COCCC(=O)O Z285184634 [2,0,0,0,0,0|1,0,0]=3 383 B6R0.4 CSCCC(=O)O Z54719251 [2,0,0,0,0,0|1,0,0]=3 384 B6R0.4 NC(=O)CCCO Z1203578394 [2,0,0,0,0,0|2,0,0]=4 385 B6R0.4 NCCCC(=O)N Z398513418 [2,0,0,0,0,0|1,0,0]=3 386 B6R0.4 NCCCC(=O)O Z104475620 [2,0,0,0,0,0|0,0,0]=2 387 B6R0.4 NCCCS(=O)O Z1203579399 [2,0,0,0,0,0|1,0,0]=3 388 B6R0.4 NCCNC(=O)N Z1268152381 [2,0,0,0,0,0|2,0,0]=4 389 B6R0.4 NCCOC(=O)N Z1587257433 [2,0,0,0,0,0|2,0,0]=4 390 B6R0.4 O=C(O)CCCS Z147642510 [2,0,0,0,0,0|1,0,0]=3 391 B8R0.4 C#CCCCCCCN Z3847490647 [1,1,0,0,0,0|1,0,1]=4 392 B8R0.4 C#CCCCCCCO Z1198157198 [1,1,0,0,0,0|1,0,1]=4 393 B8R0.4 C=CCCCCCCN Z1198263320 [1,1,0,0,0,0|1,0,0]=3 394 B8R0.4 CCCCCCCCO Z104473500 [1,1,0,0,0,0|1,0,1]=4 395 B8R0.4 CCCCCNCCO Z137800944 [1,1,0,0,0,0|1,0,1]=4 396 B8R0.4 CCCCNCCCO Z102766210 [1,1,0,0,0,0|1,0,1]=4 397 B8R0.4 COCCNCCCN Z970105370 [1,1,0,0,0,0|1,0,1]=4 398 B8R0.4 NCCCCCCCN Z275166586 [1,1,0,0,0,0|1,0,1]=4 399 B8R0.4 NCCCCCCCO Z3016956569 [1,1,0,0,0,0|0,0,1]=3 400 B8R0.4 NCCCNCCCN Z1203577926 [1,1,0,0,0,0|1,0,1]=4 401 B8R0.4 OCCCNCCCO Z104684334 [1,1,0,0,0,0|1,0,1]=4 402 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [1,1,0,0,0,0|0,0,0]=2 403 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [1,1,0,0,0,0|0,0,2]=4 404 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,1,0,0,0,0|0,0,0]=2 405 B8R0.5 CCCC(O)CC(=O)O Z982132146 [1,1,0,0,0,0|0,0,0]=2 406 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [1,1,0,0,0,0|1,0,0]=3 407 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [1,1,0,0,0,0|1,0,0]=3 408 B8R0.5 COCC(C)CC(=O)O Z992443864 [1,1,0,0,0,0|1,0,0]=3 409 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [1,1,0,0,0,0|0,0,2]=4 410 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [1,1,0,0,0,0|0,0,2]=4 411 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [1,1,0,0,0,0|0,0,2]=4 412 B8R0.8 CC(=O)N(C)CCCN Z319974634 [1,1,0,0,0,0|2,0,0]=4 413 B8R0.8 CCCCC(C)C(=O)C Z727719632 [1,1,0,0,0,0|1,0,0]=3 414 B8R0.8 CCCCC(C)C(=O)O Z756390480 [1,1,0,0,0,0|0,0,0]=2 415 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,1,0,0,0,0|0,0,0]=2 416 B8R0.8 CCCCC(N)C(C)O Z2453175125 [1,1,0,0,0,0|1,0,1]=4 417 B8R0.8 CCCCC(O)C(=O)O Z803065156 [1,1,0,0,0,0|0,0,0]=2 418 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,1,0,0,0,0|0,0,0]=2 419 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,1,0,0,0,0|0,0,0]=2 420 B8R0.8 CCOCC(C)C(=O)O Z431541098 [1,1,0,0,0,0|1,0,0]=3 421 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [1,1,0,0,0,0|1,0,0]=3 422 B8R0.8 COCCC(C)C(=O)O Z756390554 [1,1,0,0,0,0|1,0,0]=3 423 B8R0.8 COCCC(N)C(=O)O Z317025018 [1,1,0,0,0,0|1,0,0]=3 424 B8R0.8 CSCCC(N)C(=O)O Z57127440 [1,1,0,0,0,0|1,0,0]=3 425 B8R0.8 CSCCC(O)C(=O)O Z788000926 [1,1,0,0,0,0|1,0,0]=3 426 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [1,1,0,0,0,0|1,0,0]=3 427 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [1,1,0,0,0,0|1,0,0]=3 428 B8R0.8 NCCCC(N)C(=O)O Z104476736 [1,1,0,0,0,0|0,0,0]=2 429 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [1,1,0,0,0,0|0,0,0]=2 430 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [1,1,0,0,0,0|0,0,0]=2 431 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [1,1,0,0,0,0|1,0,0]=3 432 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [1,1,0,0,0,0|1,0,1]=4 433 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [1,1,0,0,0,0|0,0,2]=4 434 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [1,1,0,0,0,0|0,0,0]=2 435 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [1,1,0,0,0,0|0,0,1]=3 436 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [1,1,0,0,0,0|1,0,1]=4 437 B8R0.9 CCC(C)CCC(=O)C Z955111260 [1,1,0,0,0,0|1,0,0]=3 438 B8R0.9 CCC(C)CCC(=O)O Z955111774 [1,1,0,0,0,0|0,0,0]=2 439 B8R0.9 CCC(C)NCC(=O)O Z425484950 [1,1,0,0,0,0|1,0,0]=3 440 B8R0.9 CCC(C)OCC(=O)O Z839103364 [1,1,0,0,0,0|1,0,0]=3 441 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [1,1,0,0,0,0|1,0,0]=3 442 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [1,1,0,0,0,0|1,0,1]=4 443 B8R0.9 COC(=O)CCC(=O)O Z57663583 [1,1,0,0,0,0|1,0,1]=4 444 B8R0.9 COC(C)CCC(=O)O Z963595334 [1,1,0,0,0,0|1,0,0]=3 445 B8R0.9 CSC(C)CCC(=O)O Z963595804 [1,1,0,0,0,0|1,0,0]=3 446 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [1,1,0,0,0,0|0,0,1]=3 447 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [1,1,0,0,0,0|1,0,1]=4 448 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [1,1,0,0,0,0|0,0,0]=2 449 B8R0.21 CCCCCS(=O)(=O)N Z734461490 [1,1,0,0,0,0|1,0,1]=4 450 B8R0.21 CS(=O)(=O)CCCCN Z2379802695 [1,1,0,0,0,0|1,0,1]=4 451 B8R0.21 NCCCCS(=O)(=O)N Z2216303047 [1,1,0,0,0,0|1,0,1]=4 452 B8R0.21 NCCCCS(=O)(=O)O Z1262622810 [1,1,0,0,0,0|1,0,0]=3 453 B8R0.21 NCCCOP(=O)(O)O Z1198158583 [1,1,0,0,0,0|2,0,0]=4 454 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,1,0,0,0,0|0,0,2]=4 455 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,1,0,0,0,0|0,0,1]=3 456 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,1,0,0,0,0|1,0,1]=4 457 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,1,0,0,0,0|1,0,1]=4 458 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,1,0,0,0,0|0,0,0]=2 459 B8R0.28 CC(C)CCNC(=O)N Z56904577 [1,1,0,0,0,0|2,0,0]=4 460 B8R0.28 CC(C)CNCC(=O)N Z234894923 [1,1,0,0,0,0|2,0,0]=4 461 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [1,1,0,0,0,0|1,0,0]=3 462 B8R0.28 CC(C)CSCC(=O)O Z96112845 [1,1,0,0,0,0|1,0,0]=3 463 B8R0.28 CC(C)NCCC(=O)O Z235348215 [1,1,0,0,0,0|1,0,0]=3 464 B8R0.28 CC(C)OCCC(=O)O Z316259248 [1,1,0,0,0,0|1,0,0]=3 465 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,1,0,0,0,0|0,0,0]=2 466 B8R0.28 CC(N)COCC(=O)O Z3789755599 [1,1,0,0,0,0|1,0,0]=3 467 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [1,1,0,0,0,0|0,0,1]=3 468 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [1,1,0,0,0,0|1,0,1]=4 469 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [1,1,0,0,0,0|1,0,1]=4 470 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,1,0,0,0,0|0,0,1]=3 471 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [1,1,0,0,0,0|1,0,1]=4 472 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [1,1,0,0,0,0|1,0,1]=4 473 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [1,1,0,0,0,0|1,0,1]=4 474 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,1,0,0,0,0|1,0,1]=4 475 B10R0.3 CCCC(C)CCCC(=O)O Z1198160150 [0,2,0,0,0,0|1,0,0]=3 476 B10R0.3 CCNC(=O)CCCC(=O)O Z90423818 [0,2,0,0,0,0|1,0,1]=4 477 B10R0.3 NCCC(=O)NCCC(=O)O Z3568417658 [0,2,0,0,0,0|0,0,1]=3 478 B10R0.65 CC(=O)CCCC(C)(C)CO Z1513606539 [0,2,0,0,0,0|2,0,0]=4 479 B10R0.65 CC(C)(C#N)CCCC(=O)O Z1262522176 [0,2,0,0,0,0|0,0,2]=4 480 B10R0.82 CCC(N)COC(C)C(=O)O Z5122110101 [0,2,0,0,0,0|2,0,0]=4 481 B10R0.98 CC(C)C(N)CCCC(=O)O Z4573099344 [0,2,0,0,0,0|1,0,0]=3 482 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,2,0,0,0,0|1,0,0]=3 483 B10R0.98 CC(C)CCOC(C)C(=O)O Z316259086 [0,2,0,0,0,0|2,0,0]=4 484 B10R0.98 CC(C)N(C)CCCC(=O)O Z1459919630 [0,2,0,0,0,0|2,0,0]=4 485 B10R0.98 CC(N)C(=O)NCCC(=O)O Z760082274 [0,2,0,0,0,0|1,0,1]=4 486 B10R0.98 CC(N)CCCC(C)C(=O)O Z1258848487 [0,2,0,0,0,0|0,0,0]=2 487 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,2,0,0,0,0|1,0,1]=4 488 B10R0.4 C#CCCCCCCC(=O)O Z1255435221 [0,2,0,0,0,0|1,0,0]=3 489 B10R0.4 CC(=O)OCCCCCCN Z5197785028 [0,2,0,0,0,0|1,0,0]=3 490 B10R0.4 CCCCCCCCC(=O)N Z296759818 [0,2,0,0,0,0|2,0,0]=4 491 B10R0.4 CCCCCCCCC(=O)O Z104473336 [0,2,0,0,0,0|1,0,0]=3 492 B10R0.4 CCCCCCOCC(=O)O Z362795556 [0,2,0,0,0,0|1,0,0]=3 493 B10R0.4 CCOCCCCCC(=O)O Z1219750577 [0,2,0,0,0,0|1,0,0]=3 494 B10R0.4 COCCCOCCC(=O)O Z608071756 [0,2,0,0,0,0|1,0,0]=3 495 B10R0.4 COCCOCCCC(=O)O Z316259206 [0,2,0,0,0,0|1,0,0]=3 496 B10R0.4 CSCCCCCCC(=O)O Z1262519805 [0,2,0,0,0,0|1,0,0]=3 497 B10R0.4 N=C(N)NCCCCCCN Z1837073394 [0,2,0,0,0,0|2,0,0]=4 498 B10R0.4 NCCCCCCCC(=O)O Z1201625777 [0,2,0,0,0,0|0,0,0]=2 499 B10R0.6 CCCCCC(C)CC(=O)O Z1198151370 [0,2,0,0,0,0|1,0,0]=3 500 B10R0.6 CCCCCC(O)CC(=O)O Z982131990 [0,2,0,0,0,0|1,0,0]=3 501 B10R0.22 NCCCCCCS(=O)(=O)N Z4639316211 [0,2,0,0,0,0|1,0,1]=4 502 B10R0.55 CCC(C)CCCCC(=O)O Z1198160151 [0,2,0,0,0,0|1,0,0]=3 503 B10R0.55 CNC(=O)CCCCC(=O)O Z429593536 [0,2,0,0,0,0|0,0,1]=3 504 B10R0.55 COC(=O)CCCCC(=O)O Z1255485264 [0,2,0,0,0,0|1,0,1]=4 505 B10R0.55 COC(=O)CCNCC(C)C Z53117517 [0,2,0,0,0,0|2,0,0]=4 506 B10R0.55 COC(=O)CCOCC(C)C Z361893976 [0,2,0,0,0,0|2,0,0]=4 507 B10R0.55 COC(=O)CCOCC(F)F Z1532732573 [0,2,0,0,0,0|2,0,0]=4 508 B10R0.55 NCC(=O)CCCCC(=O)O Z1262545972 [0,2,0,0,0,0|0,0,0]=2 509 B10R0.74 CCCCCCNC(=O)CCl Z147647954 [0,2,0,0,0,0|2,0,0]=4 510 B10R0.74 CNC(=O)CCCCCCN Z1457934838 [0,2,0,0,0,0|1,0,0]=3 511 B10R0.74 COC(=O)NCCCCC#N Z1119637487 [0,2,0,0,0,0|0,0,2]=4 512 B10R0.74 COCCNCCC(=O)OC Z53116038 [0,2,0,0,0,0|2,0,0]=4 513 B10R0.75 CCCCCCC(C)C(=O)O Z756390482 [0,2,0,0,0,0|1,0,0]=3 514 B10R0.75 CCOCCOC(C)C(=O)O Z316258976 [0,2,0,0,0,0|2,0,0]=4 515 B10R0.75 NCCCSCC(N)C(=O)O Z2065464260 [0,2,0,0,0,0|0,0,0]=2 516 B10R0.75 N[C@@H](CSSCCO)C(=O)O Z1198169002 [0,2,0,0,0,0|2,0,0]=4 517 B10R0.78 CCCCC(O)CCC(=O)O Z838959646 [0,2,0,0,0,0|1,0,0]=3 518 B10R0.78 CCCNC(=O)CCC(=O)O Z90423791 [0,2,0,0,0,0|1,0,1]=4 519 B10R0.78 NCCCC(=O)NCC(=O)O Z760081522 [0,2,0,0,0,0|0,0,1]=3 520 B10R0.97 CC(C)CCCCCC(=O)O Z1198149402 [0,2,0,0,0,0|1,0,0]=3 521 B10R0.97 CN(C)CCOCCC(=O)O Z3400152526 [0,2,0,0,0,0|1,0,0]=3 522 B10R0.97 NC(=O)NCCCCC(=O)O Z90663560 [0,2,0,0,0,0|0,0,1]=3 523 B10R0.97 O=C(O)CCCCCC(=O)O Z104495338 [0,2,0,0,0,0|1,0,0]=3 524 B10R0.97 O=C(O)CCSCCC(=O)O Z104476280 [0,2,0,0,0,0|1,0,1]=4 525 B10R0.81 CCCCC(N)C(O)C(=O)O Z1238572379 [0,2,0,0,0,0|1,0,0]=3 526 B10R0.87 CCCCC(CC)CC(=O)O Z839109290 [0,2,0,0,0,0|1,0,0]=3 527 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,2,0,0,0,0|1,0,1]=4 528 B10R0.96 CC(CCC(=O)O)CN(C)C Z4423737143 [0,2,0,0,0,0|2,0,0]=4 529 B10R0.96 CC(N)CC(=O)NCC(=O)O Z760081580 [0,2,0,0,0,0|1,0,1]=4 530 B10R0.122 CCCCS(=O)(=O)CC(=O)O Z295402466 [0,2,0,0,0,0|2,0,0]=4 531 B10R0.15 CC(C)(C)CCCCC(=O)O Z1198156575 [0,2,0,0,0,0|1,0,0]=3 532 B10R0.15 CC(C)(C)OCCCC(=O)O Z362795386 [0,2,0,0,0,0|2,0,0]=4 533 B10R0.15 CC(C)(C)SCCCC(=O)O Z332377422 [0,2,0,0,0,0|2,0,0]=4 534 B10R0.15 C[N+](C)(C)CCCCC(=O)O Z1262519915 [0,2,0,0,0,0|2,0,0]=4 535 B10R0.15 O=C(O)CCCCC(F)(F)F Z1198160341 [0,2,0,0,0,0|1,0,0]=3 536 B10R0.15 O=C(O)CCNCC(F)(F)F Z1259273172 [0,2,0,0,0,0|2,0,0]=4 537 B10R0.15 O=C(O)CCOCC(F)(F)F Z316258836 [0,2,0,0,0,0|2,0,0]=4 538 B10R0.15 O=C(O)CNCCC(F)(F)F Z3183923411 [0,2,0,0,0,0|2,0,0]=4 539 B10R0.15 O=C(O)CSCCC(F)(F)F Z928255078 [0,2,0,0,0,0|2,0,0]=4 540 B10R0.83 CCCCCC(N)C(=O)OC Z1398461596 [0,2,0,0,0,0|1,0,0]=3 541 B10R0.83 CCCCCC(O)C(=O)OC Z965047444 [0,2,0,0,0,0|1,0,0]=3 542 B10R0.26 CCCC(C)CC(N)C(=O)O Z970064328 [0,2,0,0,0,0|1,0,0]=3 543 B10R0.42 CCCCCC(C)(C)C(=O)O Z995179614 [0,2,0,0,0,0|1,0,0]=3 544 B10R0.86 CCCCCC(CC)C(=O)O Z756391304 [0,2,0,0,0,0|1,0,0]=3 545 B10R0.105 CC(C)(CCN)CCC(=O)O Z1262246206 [0,2,0,0,0,0|0,0,0]=2 546 B8R1.2 BrCC1CCCCO1 Z104484248 [1,0,0,1,0,0|1,0,1]=4 547 B8R1.2 C#CC1CCCCN1 Z2940715353 [1,0,0,1,0,0|1,0,1]=4 548 B8R1.2 C=CC1CCCCN1 Z2142036752 [1,0,0,1,0,0|1,0,0]=3 549 B8R1.2 CCC1CCCCN1 Z839028612 [1,0,0,1,0,0|1,0,1]=4 550 B8R1.2 N#CC1CCCCN1 Z205012332 [1,0,0,1,0,0|1,0,1]=4 551 B8R1.2 NCC1CCCCC1 Z235354645 [1,0,0,1,0,0|1,0,1]=4 552 B8R1.2 NCC1CCCCO1 Z839575544 [1,0,0,1,0,0|0,0,1]=3 553 B8R1.2 NCC1CCCCS1 Z1318217220 [1,0,0,1,0,0|0,1,1]=4 554 B8R1.2 NCC1CCOCO1 Z1431005851 [1,0,0,1,0,0|1,0,1]=4 555 B8R1.2 NC[C@H]1CCCNC1 Z2686452674 [1,0,0,1,0,0|2,0,0]=4 556 B8R1.2 NOC1CCCCO1 Z968560364 [1,0,0,1,0,0|1,0,1]=4 557 B8R1.2 O=CC1=CCCCC1 Z1190318865 [1,0,0,1,0,0|1,0,1]=4 558 B8R1.2 O=CC1CCCCC1 Z104478974 [1,0,0,1,0,0|1,0,0]=3 559 B8R1.2 O=CC1CCCCO1 Z1079442734 [1,0,0,1,0,0|1,0,0]=3 560 B8R1.2 O=CC1CCCOC1 Z1065877672 [1,0,0,1,0,0|2,0,0]=4 561 B8R1.2 O=CC1CCCSC1 Z1255489365 [1,0,0,1,0,0|2,0,0]=4 562 B8R1.2 O=CC1CCOCC1 Z979759508 [1,0,0,1,0,0|2,0,0]=4 563 B8R1.2 O=CC1CCSCC1 Z1201622265 [1,0,0,1,0,0|2,0,0]=4 564 B8R1.2 O=CN1CCCCC1 Z1255415437 [1,0,0,1,0,0|2,0,0]=4 565 B8R1.2 OCC1CCCCC1 Z104503428 [1,0,0,1,0,0|1,0,1]=4 566 B8R1.2 OCC1CCCCN1 Z104476610 [1,0,0,1,0,0|0,0,1]=3 567 B8R1.2 OCC1CCCCO1 Z104479808 [1,0,0,1,0,0|1,0,1]=4 568 B8R1.2 OCC1COCCN1 Z2513335525 [1,0,0,1,0,0|1,0,1]=4 569 B8R1.2 OCC1CSCCN1 Z1203733048 [1,0,0,1,0,0|1,0,1]=4 570 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [1,0,0,1,0,0|0,0,1]=3 571 B8R1.5 CC1CCCCC1=O Z104477192 [1,0,0,1,0,0|1,0,0]=3 572 B8R1.5 CC1CCCCC1O Z104478402 [1,0,0,1,0,0|1,0,1]=4 573 B8R1.5 CC1CCCNC1=O Z1013766916 [1,0,0,1,0,0|2,0,0]=4 574 B8R1.5 CC1CNCCC1=O Z1741969235 [1,0,0,1,0,0|2,0,0]=4 575 B8R1.5 CC1COCCC1=O Z1192338803 [1,0,0,1,0,0|2,0,0]=4 576 B8R1.5 CC1SCCCC1=O Z1359849054 [1,0,0,1,0,0|2,0,0]=4 577 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [1,0,0,1,0,0|1,0,1]=4 578 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [1,0,0,1,0,0|1,0,1]=4 579 B8R1.5 C[C@H]1CCCC[C@H]1N Z3244401660 [1,0,0,1,0,0|1,0,1]=4 580 B8R1.5 NC1CCCCC1=O Z2186882796 [1,0,0,1,0,0|0,0,0]=2 581 B8R1.5 NC1CCCCC1N Z104474510 [1,0,0,1,0,0|1,0,1]=4 582 B8R1.5 NC1CCCNC1=O Z993991168 [1,0,0,1,0,0|1,0,0]=3 583 B8R1.5 NC1CCOCC1O Z2688974552 [1,0,0,1,0,0|1,0,1]=4 584 B8R1.5 NN1CCCCC1=O Z976663668 [1,0,0,1,0,0|1,0,0]=3 585 B8R1.5 N[C@@H]1CCCC[C@@H]1F Z2724313717 [1,0,0,1,0,0|1,0,1]=4 586 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [1,0,0,1,0,0|0,0,1]=3 587 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [1,0,0,1,0,0|1,0,1]=4 588 B8R1.5 N[C@H]1CCCC[C@@H]1N Z1147137780 [1,0,0,1,0,0|1,0,1]=4 589 B8R1.5 N[C@H]1CCCC[C@H]1N Z1203577984 [1,0,0,1,0,0|1,0,1]=4 590 B8R1.5 O=C1CCCCC1=O Z90122041 [1,0,0,1,0,0|1,0,1]=4 591 B8R1.5 O=C1CCCCC1Cl Z94598693 [1,0,0,1,0,0|1,0,0]=3 592 B8R1.5 O=C1NCCCC1F Z1203749514 [1,0,0,1,0,0|2,0,0]=4 593 B8R1.5 OC1CCCCC1O Z600453486 [1,0,0,1,0,0|1,0,1]=4 594 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [1,0,0,1,0,0|1,0,1]=4 595 B8R1.8 COCC1CCCN1 Z1342208414 [1,0,0,1,0,0|2,0,0]=4 596 B8R1.8 CSCC1CCCN1 Z839514412 [1,0,0,1,0,0|2,0,0]=4 597 B8R1.8 NCCC1CC=CC1 Z2310699161 [1,0,0,1,0,0|1,0,1]=4 598 B8R1.8 NCCC1CCCC1 Z398556750 [1,0,0,1,0,0|1,0,1]=4 599 B8R1.8 NCCC1CCCO1 Z1245635808 [1,0,0,1,0,0|0,0,1]=3 600 B8R1.8 NCCC1CCCS1 Z2681242377 [1,0,0,1,0,0|0,1,1]=4 601 B8R1.8 O=CCC1CCCC1 Z993017732 [1,0,0,1,0,0|1,0,0]=3 602 B8R1.8 O=CCC1CCCO1 Z1183458964 [1,0,0,1,0,0|1,0,0]=3 603 B8R1.8 O=CCC1CCOC1 Z1138844345 [1,0,0,1,0,0|2,0,0]=4 604 B8R1.8 OCCC1CCCC1 Z397587408 [1,0,0,1,0,0|1,0,1]=4 605 B8R1.8 OCCC1CCCN1 Z1198148537 [1,0,0,1,0,0|0,0,1]=3 606 B8R1.8 OCCC1CCCO1 Z1183459210 [1,0,0,1,0,0|1,0,1]=4 607 B8R1.9 C[C@@H]1C[C@@H]1CCC=O Z4130582680 [1,0,0,1,0,0|1,0,0]=3 608 B8R1.9 C[C@@H]1C[C@H]1CCCN Z4081421787 [1,0,0,1,0,0|1,0,1]=4 609 B8R1.10 NCCCC1CCC1 Z2522552643 [1,0,0,1,0,0|1,0,1]=4 610 B8R1.10 O=CCCC1CCC1 Z1717769279 [1,0,0,1,0,0|1,0,0]=3 611 B8R1.10 O=CCCC1CCO1 Z2327124310 [1,0,0,1,0,0|1,0,0]=3 612 B8R1.11 C=C[C@@H]1CCC[C@H]1O Z3015056914 [1,0,0,1,0,0|2,0,0]=4 613 B8R1.11 CC1CCCC1C=O Z1268606470 [1,0,0,1,0,0|1,0,0]=3 614 B8R1.11 CC1OCCC1C=O Z1342837783 [1,0,0,1,0,0|2,0,0]=4 615 B8R1.11 CCC1CCCC1=O Z813018310 [1,0,0,1,0,0|1,0,0]=3 616 B8R1.11 CCC1CCCC1N Z813018518 [1,0,0,1,0,0|1,0,1]=4 617 B8R1.11 CCC1CCNC1=O Z1203732458 [1,0,0,1,0,0|2,0,0]=4 618 B8R1.11 CCN1CCCC1=O Z1255438420 [1,0,0,1,0,0|2,0,0]=4 619 B8R1.11 CN1CCCC1CN Z326202522 [1,0,0,1,0,0|2,0,0]=4 620 B8R1.11 CO[C@@H]1CCC[C@@H]1N Z3847443224 [1,0,0,1,0,0|2,0,0]=4 621 B8R1.11 CO[C@@H]1CCC[C@H]1N Z2235777878 [1,0,0,1,0,0|2,0,0]=4 622 B8R1.11 CO[C@H]1CCC[C@@H]1N Z905269870 [1,0,0,1,0,0|2,0,0]=4 623 B8R1.11 CSC1CCCC1N Z1203642543 [1,0,0,1,0,0|2,0,0]=4 624 B8R1.11 N#CC1CCCC1=O Z951172672 [1,0,0,1,0,0|0,0,2]=4 625 B8R1.11 N#CC1CCCC1N Z985148518 [1,0,0,1,0,0|1,0,1]=4 626 B8R1.11 NCC1CCCC1N Z951173802 [1,0,0,1,0,0|1,0,1]=4 627 B8R1.11 NCC1CCCC1O Z409444212 [1,0,0,1,0,0|0,0,1]=3 628 B8R1.11 NC[C@@H]1COC[C@@H]1O Z2828229275 [1,0,0,1,0,0|1,0,1]=4 629 B8R1.11 NN[C@@H]1CCC[C@H]1O Z2350387396 [1,0,0,1,0,0|1,0,1]=4 630 B8R1.11 N[C@@H]1COC[C@@H]1CO Z2568674574 [1,0,0,1,0,0|1,0,1]=4 631 B8R1.11 N[C@H]1CCC[C@H]1CO Z1198220662 [1,0,0,1,0,0|0,0,1]=3 632 B8R1.11 O=C1CCCN1CO Z56755633 [1,0,0,1,0,0|2,0,0]=4 633 B8R1.11 O=C1NCCC1CO Z1203746842 [1,0,0,1,0,0|2,0,0]=4 634 B8R1.12 CO[C@@H]1CC[C@H]1CN Z4643457562 [1,0,0,1,0,0|2,0,0]=4 635 B8R1.13 O=C1CCN1CCO Z1897885187 [1,0,0,1,0,0|2,0,0]=4 636 B8R1.17 CCC[C@@H]1C[C@H]1CN Z3247491743 [1,0,0,1,0,0|1,0,1]=4 637 B8R1.22 NC1CCCCCC1 Z104477488 [1,0,0,1,0,0|1,0,1]=4 638 B8R1.22 O=C1CCCCCC1 Z104473100 [1,0,0,1,0,0|1,0,0]=3 639 B8R1.22 O=C1CCNCCN1 Z119989554 [1,0,0,1,0,0|1,0,0]=3 640 B8R1.22 O=C1CCOCCN1 Z821098578 [1,0,0,1,0,0|1,0,0]=3 641 B8R1.22 O=C1CCSCCN1 Z1198315286 [1,0,0,1,0,0|1,0,0]=3 642 B8R1.22 O=C1CNCCCN1 Z2756332573 [1,0,0,1,0,0|1,0,0]=3 643 B8R1.22 O=C1COCCCN1 Z1203733065 [1,0,0,1,0,0|1,0,0]=3 644 B8R1.36 O=CCCCC1CC1 Z1511869605 [1,0,0,1,0,0|1,0,0]=3 645 B8R1.49 C1CCCNCCC1 Z104480232 [1,0,0,1,0,0|1,0,1]=4 646 B8R1.1 CC1CCC(O1)CN Z1438307598 [1,0,0,1,0,0|1,0,1]=4 647 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [1,0,0,1,0,0|1,0,0]=3 648 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [1,0,0,1,0,0|2,0,0]=4 649 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [1,0,0,1,0,0|1,0,0]=3 650 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [1,0,0,1,0,0|0,0,0]=2 651 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [1,0,0,1,0,0|1,0,0]=3 652 B8R1.1 NCC1COC(=O)C1 Z1262663655 [1,0,0,1,0,0|2,0,0]=4 653 B8R1.1 NCC1COC(=O)N1 Z2130644119 [1,0,0,1,0,0|2,0,0]=4 654 B8R1.1 NCC1COC(=O)O1 Z3474887077 [1,0,0,1,0,0|1,0,0]=3 655 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [1,0,0,1,0,0|1,0,0]=3 656 B8R1.1 O=C1CCC(N1)CO Z235344363 [1,0,0,1,0,0|2,0,0]=4 657 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [1,0,0,1,0,0|2,0,0]=4 658 B8R1.1 O=C1NCC(O1)CCl Z56346848 [1,0,0,1,0,0|2,0,0]=4 659 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [1,0,0,1,0,0|1,0,1]=4 660 B8R1.4 CC1=CC(CCC1)N Z3895215954 [1,0,0,1,0,0|2,0,0]=4 661 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [1,0,0,1,0,0|2,0,0]=4 662 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [1,0,0,1,0,0|2,0,0]=4 663 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [1,0,0,1,0,0|0,0,2]=4 664 B8R1.4 CC1CCCC(=O)C1 Z56899044 [1,0,0,1,0,0|1,0,0]=3 665 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [1,0,0,1,0,0|1,0,0]=3 666 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [1,0,0,1,0,0|2,0,0]=4 667 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [1,0,0,1,0,0|2,0,0]=4 668 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [1,0,0,1,0,0|2,0,0]=4 669 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [1,0,0,1,0,0|1,0,1]=4 670 B8R1.4 NC1CCCC(C1)O Z2724335128 [1,0,0,1,0,0|1,0,1]=4 671 B8R1.4 N[C@H]1CCC[C@H](C1)O Z1203578804 [1,0,0,1,0,0|1,0,1]=4 672 B8R1.6 CCCC1CC(=O)N1 Z1198168176 [1,0,0,1,0,0|1,0,0]=3 673 B8R1.6 NCCC1CC(=O)C1 Z2681245722 [1,0,0,1,0,0|1,0,0]=3 674 B8R1.6 NCCC1CC(C1)O Z1868316842 [1,0,0,1,0,0|1,0,1]=4 675 B8R1.6 NCC[C@H]1C[C@H](C1)O Z2310717957 [1,0,0,1,0,0|1,0,1]=4 676 B8R1.7 CC(=O)C1CCCC1 Z513735352 [1,0,0,1,0,0|1,0,0]=3 677 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [1,0,0,1,0,0|2,0,0]=4 678 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [1,0,0,1,0,0|2,0,0]=4 679 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [1,0,0,1,0,0|1,0,1]=4 680 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [1,0,0,1,0,0|2,0,0]=4 681 B8R1.7 NC(=O)C1CCCC1 Z33546657 [1,0,0,1,0,0|1,0,0]=3 682 B8R1.7 NC(=O)C1CCCN1 Z56945990 [1,0,0,1,0,0|1,0,0]=3 683 B8R1.7 NC(=O)C1CCCO1 Z33545380 [1,0,0,1,0,0|2,0,0]=4 684 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [1,0,0,1,0,0|2,0,0]=4 685 B8R1.7 NC(=O)C1CCOC1 Z802555342 [1,0,0,1,0,0|2,0,0]=4 686 B8R1.7 NC(=O)C1CSCN1 Z316101160 [1,0,0,1,0,0|2,0,0]=4 687 B8R1.7 NC(=O)N1CCCC1 Z56907605 [1,0,0,1,0,0|2,0,0]=4 688 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [1,0,0,1,0,0|0,0,2]=4 689 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [1,0,0,1,0,0|0,0,2]=4 690 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [1,0,0,1,0,0|0,0,2]=4 691 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,0,0,1,0,0|0,0,0]=2 692 B8R1.7 O=C(O)C1CCCN1 Z104476886 [1,0,0,1,0,0|0,0,0]=2 693 B8R1.7 O=C(O)C1CCCO1 Z104486102 [1,0,0,1,0,0|1,0,0]=3 694 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [1,0,0,1,0,0|1,0,0]=3 695 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [1,0,0,1,0,0|1,0,0]=3 696 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [1,0,0,1,0,0|2,0,0]=4 697 B8R1.7 O=C(O)C1CCOC1 Z381356480 [1,0,0,1,0,0|1,0,0]=3 698 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [1,0,0,1,0,0|1,0,0]=3 699 B8R1.7 O=C(O)C1CSCN1 Z104495996 [1,0,0,1,0,0|1,0,0]=3 700 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [1,0,0,1,0,0|1,0,0]=3 701 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [1,0,0,1,0,0|2,0,0]=4 702 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [1,0,0,1,0,0|2,0,0]=4 703 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [1,0,0,1,0,0|0,0,0]=2 704 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [1,0,0,1,0,0|1,0,0]=3 705 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [1,0,0,1,0,0|0,0,0]=2 706 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [1,0,0,1,0,0|1,0,0]=3 707 B8R1.7 OB(O)C1CCCC1 Z1147227731 [1,0,0,1,0,0|1,0,1]=4 708 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [1,0,0,1,0,0|0,0,0]=2 709 B8R1.31 O=C(O)C1CCC1F Z2035936452 [1,0,0,1,0,0|1,0,0]=3 710 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [1,0,0,1,0,0|1,0,0]=3 711 B8R1.34 N=C(N)CC1CCC1 Z1642389696 [1,0,0,1,0,0|2,0,0]=4 712 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [1,0,0,1,0,0|2,0,0]=4 713 B8R1.34 NC(=O)NC1CCC1 Z979783478 [1,0,0,1,0,0|2,0,0]=4 714 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [1,0,0,1,0,0|0,0,2]=4 715 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [1,0,0,1,0,0|0,0,0]=2 716 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [1,0,0,1,0,0|1,0,0]=3 717 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [1,0,0,1,0,0|1,0,0]=3 718 B8R1.35 NC(=O)CNC1CC1 Z104875198 [1,0,0,1,0,0|2,0,0]=4 719 B8R1.35 NC(=O)NCC1CC1 Z247615948 [1,0,0,1,0,0|2,0,0]=4 720 B8R1.35 O=C(O)C#CC1CC1 Z1198161308 [1,0,0,1,0,0|0,0,2]=4 721 B8R1.35 O=C(O)CNC1CC1 Z432066928 [1,0,0,1,0,0|1,0,0]=3 722 B8R1.35 O=[N+]([O-])CCC1CC1 Z2732442774 [1,0,0,1,0,0|1,0,1]=4 723 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [1,0,0,1,0,0|0,0,0]=2 724 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [1,0,0,1,0,0|0,0,2]=4 725 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [1,0,0,1,0,0|0,0,2]=4 726 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [1,0,0,1,0,0|0,0,0]=2 727 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [1,0,0,1,0,0|1,0,1]=4 728 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [1,0,0,1,0,0|1,0,1]=4 729 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [1,0,0,1,0,0|1,0,1]=4 730 B8R1.72 CC1(CCCCC1)O Z449370586 [1,0,0,1,0,0|1,0,1]=4 731 B8R1.72 N=S1(=O)CCCCC1 Z2941529962 [1,0,0,1,0,0|2,0,0]=4 732 B8R1.72 O=S1(=O)CCCCN1 Z1201622708 [1,0,0,1,0,0|1,0,1]=4 733 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,1,0,1,0,0|1,0,1]=4 734 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)N Z1262662148 [0,1,0,1,0,0|2,0,0]=4 735 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,1,0,1,0,0|2,0,0]=4 736 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,1,0,1,0,0|0,0,0]=2 737 B10R1.13 CN1CCC(CC1)C(=O)O Z744843480 [0,1,0,1,0,0|2,0,0]=4 738 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,1,0,1,0,0|2,0,0]=4 739 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,1,0,1,0,0|0,0,0]=2 740 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,1,0,1,0,0|1,0,0]=3 741 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,1,0,1,0,0|1,0,0]=3 742 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,1,0,1,0,0|1,0,0]=3 743 B10R1.13 NC(=O)C1CCC(CC1)O Z935127666 [0,1,0,1,0,0|2,0,0]=4 744 B10R1.13 NC(=O)[C@H]1CC[C@H](CC1)N Z4867378872 [0,1,0,1,0,0|2,0,0]=4 745 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,1,0,1,0,0|1,0,0]=3 746 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,1,0,1,0,0|0,0,0]=2 747 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,1,0,1,0,0|0,0,0]=2 748 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,1,0,1,0,0|1,0,1]=4 749 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,1,0,1,0,0|1,0,1]=4 750 B10R1.31 C#C[C@H]1CC[C@H](N1)C(=O)O Z5870110869 [0,1,0,1,0,0|1,0,1]=4 751 B10R1.31 CC(=O)N1CCC(C1)CN Z2108810043 [0,1,0,1,0,0|2,0,0]=4 752 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [0,1,0,1,0,0|1,0,0]=3 753 B10R1.31 CCC1CCC(O1)C(=O)O Z1389029400 [0,1,0,1,0,0|1,0,0]=3 754 B10R1.31 CCN1CCC(C1)C(=O)O Z1459883437 [0,1,0,1,0,0|2,0,0]=4 755 B10R1.31 CC[C@@H]1CN[C@@H](C1)C(=O)O Z3490158686 [0,1,0,1,0,0|2,0,0]=4 756 B10R1.31 COC1CCC(C1)C(=O)O Z1509041249 [0,1,0,1,0,0|2,0,0]=4 757 B10R1.31 NCC1CCC(O1)C(=O)N Z1416203149 [0,1,0,1,0,0|1,0,0]=3 758 B10R1.31 NCC1CCN(C1)C(=O)N Z2065788156 [0,1,0,1,0,0|2,0,0]=4 759 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [0,1,0,1,0,0|0,0,0]=2 760 B10R1.54 CC(=O)CC1CCC(=O)N1 Z1416183404 [0,1,0,1,0,0|1,0,1]=4 761 B10R1.54 CC1CC(CN1)CC(=O)O Z4762765581 [0,1,0,1,0,0|2,0,0]=4 762 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [0,1,0,1,0,0|1,0,0]=3 763 B10R1.54 CC1CCC(O1)CC(=O)O Z1205494903 [0,1,0,1,0,0|1,0,0]=3 764 B10R1.54 CC1CCN(C1)CC(=O)O Z1459983829 [0,1,0,1,0,0|2,0,0]=4 765 B10R1.54 CN1CCC(C1)CC(=O)O Z2492774445 [0,1,0,1,0,0|2,0,0]=4 766 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Z3070901966 [0,1,0,1,0,0|0,0,0]=2 767 B10R1.79 O=C1CCCC(CCC1)O Z1198158812 [0,1,0,1,0,0|2,0,0]=4 768 B10R1.153 COC(=O)CNCC1CC1 Z1262327454 [0,1,0,1,0,0|2,0,0]=4 769 B10R1.153 COC(=O)COCC1CC1 Z361894076 [0,1,0,1,0,0|2,0,0]=4 770 B10R1.168 CCC1CC(C1)CC(=O)O Z1205498075 [0,1,0,1,0,0|1,0,0]=3 771 B10R1.168 CCC1CN(C1)CC(=O)O Z2587940292 [0,1,0,1,0,0|2,0,0]=4 772 B10R1.171 CC1(CCCC(O1)CN)C Z1836444614 [0,1,0,1,0,0|1,0,1]=4 773 B10R1.171 NCC1CCCS(=O)(=O)C1 Z2092369685 [0,1,0,1,0,0|1,0,1]=4 774 B10R1.194 CC1C(CCN1C)C(=O)O Z1839475263 [0,1,0,1,0,0|2,0,0]=4 775 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O Z2379806278 [0,1,0,1,0,0|2,0,0]=4 776 B10R1.194 O=C(O)[C@@H]1NC[C@H]([C@H]1O)O Z4081403377 [0,1,0,1,0,0|2,0,0]=4 777 B10R1.206 C[C@@H]1C[C@H]1CCC(=O)CCl Z4442429030 [0,1,0,1,0,0|2,0,0]=4 778 B10R1.277 CC1CCCC(C(=O)N1)C Z1203747900 [0,1,0,1,0,0|2,0,0]=4 779 B10R1.485 CC1(CCCC(=O)N1)CN Z3676380655 [0,1,0,1,0,0|1,0,0]=3 780 B10R1.485 CC1(CCCC(=O)N1)CO Z1255400584 [0,1,0,1,0,0|2,0,0]=4 781 B10R1.10 CCCC1CC(=O)CCO1 Z1192341343 [0,1,0,1,0,0|2,0,0]=4 782 B10R1.10 NCCC1CCNC(=O)C1 Z4077128228 [0,1,0,1,0,0|1,0,0]=3 783 B10R1.18 CC(=O)CC1CCNCC1 Z3235039172 [0,1,0,1,0,0|2,0,0]=4 784 B10R1.18 CC(=O)CC1CCOCC1 Z992965782 [0,1,0,1,0,0|2,0,0]=4 785 B10R1.18 CC(=O)CC1COCCN1 Z1649677748 [0,1,0,1,0,0|1,0,0]=3 786 B10R1.18 CC(=O)NC1CCCNC1 Z285140960 [0,1,0,1,0,0|2,0,0]=4 787 B10R1.18 CC(O)CC1CCCCN1 Z1203731039 [0,1,0,1,0,0|1,0,1]=4 788 B10R1.18 CC(O)CC1COCCN1 Z1646010224 [0,1,0,1,0,0|1,0,1]=4 789 B10R1.18 NC(=O)CC1CCCCC1 Z33547160 [0,1,0,1,0,0|2,0,0]=4 790 B10R1.18 NC(=O)CC1CCCCN1 Z370714204 [0,1,0,1,0,0|1,0,0]=3 791 B10R1.18 NC(=O)CC1CCCNC1 Z1318268688 [0,1,0,1,0,0|1,0,0]=3 792 B10R1.18 NC(=O)CC1CCNCC1 Z300072138 [0,1,0,1,0,0|2,0,0]=4 793 B10R1.18 NC(=O)CC1CNCCO1 Z1274804035 [0,1,0,1,0,0|2,0,0]=4 794 B10R1.18 NC(=O)CC1COCCN1 Z2080125157 [0,1,0,1,0,0|1,0,0]=3 795 B10R1.18 NC(=O)NC1CCCCC1 Z56896929 [0,1,0,1,0,0|2,0,0]=4 796 B10R1.18 NC(=O)NC1CCCNC1 Z1259341125 [0,1,0,1,0,0|2,0,0]=4 797 B10R1.18 O=C(O)C=C1CCCCC1 Z352748084 [0,1,0,1,0,0|1,0,1]=4 798 B10R1.18 O=C(O)CC1=CCCCC1 Z1138835936 [0,1,0,1,0,0|1,0,0]=3 799 B10R1.18 O=C(O)CC1=CCOCC1 Z1205495477 [0,1,0,1,0,0|1,0,1]=4 800 B10R1.18 O=C(O)CC1C=CCCC1 Z1198264430 [0,1,0,1,0,0|1,0,0]=3 801 B10R1.18 O=C(O)CC1CCCCC1 Z104486044 [0,1,0,1,0,0|1,0,0]=3 802 B10R1.18 O=C(O)CC1CCCCN1 Z3234954063 [0,1,0,1,0,0|0,0,0]=2 803 B10R1.18 O=C(O)CC1CCCCO1 Z432421618 [0,1,0,1,0,0|1,0,0]=3 804 B10R1.18 O=C(O)CC1CCCNC1 Z1272743958 [0,1,0,1,0,0|0,0,0]=2 805 B10R1.18 O=C(O)CC1CCCOC1 Z445215100 [0,1,0,1,0,0|1,0,0]=3 806 B10R1.18 O=C(O)CC1CCOCC1 Z440605396 [0,1,0,1,0,0|1,0,0]=3 807 B10R1.18 O=C(O)CC1CCSCC1 Z826531570 [0,1,0,1,0,0|1,0,0]=3 808 B10R1.18 O=C(O)CC1CNCCO1 Z3241262582 [0,1,0,1,0,0|1,0,0]=3 809 B10R1.18 O=C(O)CC1COCCN1 Z1741981133 [0,1,0,1,0,0|0,0,0]=2 810 B10R1.18 O=C(O)CC1CSCCS1 Z1492186731 [0,1,0,1,0,0|1,0,0]=3 811 B10R1.18 O=C(O)CC1OCCCO1 Z1205495524 [0,1,0,1,0,0|1,0,0]=3 812 B10R1.18 O=C(O)CN1CCCCC1 Z1171978832 [0,1,0,1,0,0|1,0,0]=3 813 B10R1.18 O=C(O)CN1CCNCC1 Z2887863329 [0,1,0,1,0,0|2,0,0]=4 814 B10R1.18 O=C(O)CN1CCOCC1 Z1270246390 [0,1,0,1,0,0|2,0,0]=4 815 B10R1.38 CN[C@@H]1CCCC[C@@]1(C)O Z2608856450 [0,1,0,1,0,0|1,0,1]=4 816 B10R1.38 NCC1CCCCS1(=O)=O Z1649677764 [0,1,0,1,0,0|1,0,1]=4 817 B10R1.39 CC(=O)N1CCCC1CN Z5184060281 [0,1,0,1,0,0|1,0,0]=3 818 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [0,1,0,1,0,0|1,0,0]=3 819 B10R1.39 CCC1CCNC1C(=O)O Z1262517253 [0,1,0,1,0,0|1,0,0]=3 820 B10R1.39 CCC1NCCC1C(=O)O Z2096659316 [0,1,0,1,0,0|1,0,0]=3 821 B10R1.39 CCC1OCCC1C(=O)O Z1318264615 [0,1,0,1,0,0|1,0,0]=3 822 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Z2525786659 [0,1,0,1,0,0|1,0,0]=3 823 B10R1.39 NC(=O)N1CCC[C@H]1CO Z1203582422 [0,1,0,1,0,0|2,0,0]=4 824 B10R1.39 NCC1OCCC1C(=O)O Z2237698503 [0,1,0,1,0,0|0,0,0]=2 825 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Z2213889147 [0,1,0,1,0,0|0,0,0]=2 826 B10R1.39 O=NN1CCC[C@H]1C(=O)O Z1198157871 [0,1,0,1,0,0|1,0,1]=4 827 B10R1.61 CC(=O)C1CCCCC1C Z1276728280 [0,1,0,1,0,0|2,0,0]=4 828 B10R1.61 CC1CNCCC1C(=O)O Z1795818158 [0,1,0,1,0,0|1,0,0]=3 829 B10R1.61 CC1COCCC1C(=O)O Z1205496403 [0,1,0,1,0,0|1,0,0]=3 830 B10R1.61 CC1NCCCC1C(=O)O Z1255463358 [0,1,0,1,0,0|1,0,0]=3 831 B10R1.61 CN1CCCCC1C(=O)O Z1259339901 [0,1,0,1,0,0|0,0,0]=2 832 B10R1.61 CN1CCCC[C@@H]1C(=O)O Z1205493960 [0,1,0,1,0,0|0,0,0]=2 833 B10R1.61 CN1CCCC[C@H]1C(=O)O Z1205494199 [0,1,0,1,0,0|0,0,0]=2 834 B10R1.61 CN1CCNCC1C(=O)O Z2679906813 [0,1,0,1,0,0|1,0,0]=3 835 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O Z2309898847 [0,1,0,1,0,0|0,0,0]=2 836 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O Z3247787190 [0,1,0,1,0,0|1,0,0]=3 837 B10R1.61 C[C@@H]1NCCN[C@@H]1C(=O)O Z4444621005 [0,1,0,1,0,0|1,0,0]=3 838 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O Z1913661250 [0,1,0,1,0,0|1,0,0]=3 839 B10R1.61 NC(=O)C1CCCCC1N Z1346385659 [0,1,0,1,0,0|1,0,0]=3 840 B10R1.61 NC(=O)C1CCCCN1O Z4286049345 [0,1,0,1,0,0|1,0,0]=3 841 B10R1.61 NC1=C(CCCN1)C(=O)O Z2467523232 [0,1,0,1,0,0|0,0,2]=4 842 B10R1.61 NC1CCCCC1C(=O)O Z1374884261 [0,1,0,1,0,0|0,0,0]=2 843 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O Z2306832325 [0,1,0,1,0,0|0,0,1]=3 844 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Z2306832317 [0,1,0,1,0,0|0,0,0]=2 845 B10R1.61 O=C(O)C1=C(CCCC1)Cl Z198749560 [0,1,0,1,0,0|1,0,1]=4 846 B10R1.61 O=C(O)C1CCCCC1O Z1080722428 [0,1,0,1,0,0|1,0,0]=3 847 B10R1.61 O=C(O)C1CCNCC1F Z3243524018 [0,1,0,1,0,0|1,0,0]=3 848 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Z3326512742 [0,1,0,1,0,0|1,0,0]=3 849 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [0,1,0,1,0,0|1,0,0]=3 850 B10R1.64 CC\1CCC/C1=C\C(=O)O Z1205498287 [0,1,0,1,0,0|1,0,1]=4 851 B10R1.64 O=C(O)CN1CCCC1=O Z57980672 [0,1,0,1,0,0|1,0,1]=4 852 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Z2944218660 [0,1,0,1,0,0|1,0,0]=3 853 B10R1.64 O=C(O)C[C@@H]1COC[C@H]1O Z3197133376 [0,1,0,1,0,0|1,0,0]=3 854 B10R1.66 CC(=O)NCC1CCCN1 Z4898465730 [0,1,0,1,0,0|1,0,0]=3 855 B10R1.66 CC(=O)OCC1CCNC1 Z1201627164 [0,1,0,1,0,0|2,0,0]=4 856 B10R1.66 NC(=O)CCN1CCCC1 Z1800456308 [0,1,0,1,0,0|2,0,0]=4 857 B10R1.66 NC(=O)CNC1CCCC1 Z90608472 [0,1,0,1,0,0|2,0,0]=4 858 B10R1.66 NC(=O)NCC1CCCC1 Z415672550 [0,1,0,1,0,0|2,0,0]=4 859 B10R1.66 NC(=O)NCC1CCCO1 Z56911934 [0,1,0,1,0,0|2,0,0]=4 860 B10R1.66 O=C(O)CCC1CCCC1 Z104478044 [0,1,0,1,0,0|1,0,0]=3 861 B10R1.66 O=C(O)CCC1CCCN1 Z2467454523 [0,1,0,1,0,0|0,0,0]=2 862 B10R1.66 O=C(O)CCC1CCCO1 Z362564576 [0,1,0,1,0,0|1,0,0]=3 863 B10R1.66 O=C(O)CCC1CCNC1 Z1198312388 [0,1,0,1,0,0|0,0,0]=2 864 B10R1.66 O=C(O)CCC1CCOC1 Z975825286 [0,1,0,1,0,0|1,0,0]=3 865 B10R1.66 O=C(O)CNC1CCCC1 Z359505658 [0,1,0,1,0,0|1,0,0]=3 866 B10R1.66 O=C(O)COC1CCCC1 Z316258762 [0,1,0,1,0,0|1,0,0]=3 867 B10R1.66 O=C(O)COC1CCNC1 Z4875638894 [0,1,0,1,0,0|1,0,0]=3 868 B10R1.66 O=C(O)COC1CCOC1 Z1138838239 [0,1,0,1,0,0|2,0,0]=4 869 B10R1.66 O=C(O)CSC1CCCC1 Z147646804 [0,1,0,1,0,0|1,0,0]=3 870 B10R1.66 O=C([O-])CCN1CCCC1 Z398513132 [0,1,0,1,0,0|1,0,1]=4 871 B10R1.78 O=C1CCCCCCCC1 Z1255382938 [0,1,0,1,0,0|2,0,0]=4 872 B10R1.78 O=C1CCCCCCCN1 Z1203730756 [0,1,0,1,0,0|2,0,0]=4 873 B10R1.126 O=C(O)CCOCC1CC1 Z332379294 [0,1,0,1,0,0|1,0,0]=3 874 B10R1.133 CNCC1CCCS1(=O)=O Z4219939330 [0,1,0,1,0,0|1,0,1]=4 875 B10R1.133 NCCC1CCCS1(=O)=O Z2681242378 [0,1,0,1,0,0|1,0,1]=4 876 B10R1.133 NCCN1CCCS1(=O)=O Z1259297357 [0,1,0,1,0,0|1,0,1]=4 877 B10R1.348 CC(=O)C1CCCCCC1 Z1255452291 [0,1,0,1,0,0|2,0,0]=4 878 B10R1.348 CC(=O)N1CCCCCC1 Z31431946 [0,1,0,1,0,0|2,0,0]=4 879 B10R1.348 NC(=O)N1CCCCCC1 Z56912098 [0,1,0,1,0,0|2,0,0]=4 880 B10R1.348 O=C(O)C1CCC=CCC1 Z447899262 [0,1,0,1,0,0|1,0,1]=4 881 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,1,0,1,0,0|0,0,0]=2 882 B10R1.348 O=C(O)C1CCCCNC1 Z2310702448 [0,1,0,1,0,0|0,0,0]=2 883 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [0,1,0,1,0,0|1,0,0]=3 884 B10R1.348 O=C(O)C1CNCCCN1 Z2044769174 [0,1,0,1,0,0|0,0,0]=2 885 B10R1.8 CC1CC(CC(=O)N1)CN Z2527850388 [0,1,0,1,0,0|2,0,0]=4 886 B10R1.91 CCOC1C(C1C(=O)O)C Z600584192 [0,1,0,1,0,0|2,0,0]=4 887 B10R1.266 CN(CC(=O)O)C1CCC1 Z1255381537 [0,1,0,1,0,0|2,0,0]=4 888 B10R1.276 CC1(CCCCC(=O)N1)C Z1509172874 [0,1,0,1,0,0|2,0,0]=4 889 B10R1.370 CC1(CCCC1)CC(=O)O Z1205494632 [0,1,0,1,0,0|1,0,0]=3 890 B10R1.370 NC1(CCCC1)CC(=O)O Z2301438513 [0,1,0,1,0,0|1,0,0]=3 891 B10R1.370 NC1(CCSC1)CC(=O)O Z1742242134 [0,1,0,1,0,0|2,0,0]=4 892 B10R1.370 O=C(O)CC1(CCCC1)O Z982131876 [0,1,0,1,0,0|1,0,0]=3 893 B10R1.28 CC(C)(O)C1CCCCN1 Z2310672601 [0,1,0,1,0,0|1,0,1]=4 894 B10R1.281 CS(=O)(=O)C[C@H]1CCCN1 Z1939439165 [0,1,0,1,0,0|1,0,1]=4 895 B10R1.281 NS(=O)(=O)CC1CCCN1 Z825378762 [0,1,0,1,0,0|1,0,1]=4 896 B10R1.281 NS(=O)(=O)C[C@H]1CCCN1 Z3023982405 [0,1,0,1,0,0|1,0,1]=4 897 B10R1.1 CCCC1CCC(=O)CC1 Z57073962 [0,1,0,1,0,0|2,0,0]=4 898 B10R1.1 NCCC1CCC(=O)NC1 Z3323194920 [0,1,0,1,0,0|1,0,0]=3 899 B10R1.2 CN1CCCC(C1=O)CN Z4987423402 [0,1,0,1,0,0|2,0,0]=4 900 B10R1.15 CCC(=O)C1CCCCC1 Z513735268 [0,1,0,1,0,0|2,0,0]=4 901 B10R1.15 CCC(O)C1CCCCN1 Z1157652498 [0,1,0,1,0,0|1,0,1]=4 902 B10R1.15 CNC(=O)C1CCCCN1 Z234895123 [0,1,0,1,0,0|1,0,0]=3 903 B10R1.15 CNC(=O)C1COCCN1 Z1457934852 [0,1,0,1,0,0|2,0,0]=4 904 B10R1.15 COC(=O)C1C=CCCN1 Z3676740630 [0,1,0,1,0,0|0,0,2]=4 905 B10R1.15 COC(=O)C1CC=CCN1 Z3488197781 [0,1,0,1,0,0|0,0,2]=4 906 B10R1.15 COC(=O)C1CCCCS1 Z1413799531 [0,1,0,1,0,0|1,0,0]=3 907 B10R1.15 COC(=O)C1CCSCC1 Z1190142949 [0,1,0,1,0,0|2,0,0]=4 908 B10R1.15 COC(=O)C1CCSCN1 Z4924246834 [0,1,0,1,0,0|1,0,0]=3 909 B10R1.15 COC(=O)C1CNCCO1 Z1359429564 [0,1,0,1,0,0|2,0,0]=4 910 B10R1.15 COC(=O)C1COCCN1 Z1318356904 [0,1,0,1,0,0|1,0,0]=3 911 B10R1.15 COC(=O)C1SCCCS1 Z1255444891 [0,1,0,1,0,0|2,0,0]=4 912 B10R1.15 NNC(=O)C1CCCCC1 Z56930714 [0,1,0,1,0,0|2,0,0]=4 913 B10R1.15 O=C(CCl)C1CCCCC1 Z1205657412 [0,1,0,1,0,0|2,0,0]=4 914 B10R1.15 O=C(CCl)C1CCCCO1 Z1205660981 [0,1,0,1,0,0|2,0,0]=4 915 B10R1.27 CCC(=O)CC1CCCO1 Z513734576 [0,1,0,1,0,0|2,0,0]=4 916 B10R1.27 COC(=O)/C=C\1/CCCN1 Z2186882659 [0,1,0,1,0,0|0,0,2]=4 917 B10R1.27 COC(=O)CC1CCCN1 Z1945708482 [0,1,0,1,0,0|0,0,0]=2 918 B10R1.27 COC(=O)CN1CCCC1 Z57725199 [0,1,0,1,0,0|2,0,0]=4 919 B10R1.27 N/C(=N\O)/CC1CCCO1 Z451350896 [0,1,0,1,0,0|2,0,0]=4 920 B10R1.27 O=C(CCl)CC1CCCC1 Z1386913430 [0,1,0,1,0,0|2,0,0]=4 921 B10R1.27 O=C(CO)NC1CCCC1 Z431952118 [0,1,0,1,0,0|2,0,0]=4 922 B10R1.99 CCC[C@@H]1C[C@H]1C(=O)CCl Z4463030910 [0,1,0,1,0,0|2,0,0]=4 923 B10R1.149 COC(=O)C1CCCN1C Z905213162 [0,1,0,1,0,0|2,0,0]=4 924 B10R1.149 COC(=O)C1CCOC1C Z1263715989 [0,1,0,1,0,0|2,0,0]=4 925 B10R1.149 COC(=O)[C@@H]1CCC[C@H]1N Z2327884296 [0,1,0,1,0,0|0,0,0]=2 926 B10R1.149 COC(=O)[C@@H]1CNC[C@H]1C Z1955367646 [0,1,0,1,0,0|2,0,0]=4 927 B10R1.151 COC(=O)COC1CCC1 Z959310266 [0,1,0,1,0,0|2,0,0]=4 928 B10R1.157 CC[C@@H]1C[C@@H]1CC(=O)CCl Z4994023133 [0,1,0,1,0,0|2,0,0]=4 929 B10R1.161 O=CC1=CCCCCCC1 Z2568727644 [0,1,0,1,0,0|2,0,0]=4 930 B10R1.175 COC(=O)[C@@H]1CC[C@H]1C=O Z4546157639 [0,1,0,1,0,0|1,0,1]=4 931 B10R1.275 CN1CCCCC(C1=O)N Z3487038024 [0,1,0,1,0,0|2,0,0]=4 932 B10R1.23 CC(C(=O)O)C1=CCCC1 Z1205494118 [0,1,0,1,0,0|1,0,1]=4 933 B10R1.23 CC(C(=O)O)C1CCCC1 Z993955140 [0,1,0,1,0,0|1,0,0]=3 934 B10R1.23 CC(C(=O)O)N1CCCC1 Z1459956121 [0,1,0,1,0,0|2,0,0]=4 935 B10R1.23 NC(C(=O)O)C1CCCC1 Z1259162146 [0,1,0,1,0,0|1,0,0]=3 936 B10R1.23 O=C(O)C(O)C1CCCC1 Z941196766 [0,1,0,1,0,0|1,0,0]=3 937 B10R1.23 O=C(O)C(O)C1CCNC1 Z1203819582 [0,1,0,1,0,0|2,0,0]=4 938 B10R1.93 CCOC1CC(C1)C(=O)O Z1813144098 [0,1,0,1,0,0|2,0,0]=4 939 B10R1.113 CC(C)C1CCCC(=O)N1 Z1203748309 [0,1,0,1,0,0|2,0,0]=4 940 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,1,0,1,0,0|2,0,0]=4 941 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,1,0,1,0,0|2,0,0]=4 942 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,1,0,1,0,0|1,0,0]=3 943 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,1,0,1,0,0|1,0,0]=3 944 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,1,0,1,0,0|0,0,0]=2 945 B10R1.113 CC1CCNC(C1)C(C)O Z1197886054 [0,1,0,1,0,0|1,0,1]=4 946 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,1,0,1,0,0|1,0,0]=3 947 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,1,0,1,0,0|2,0,0]=4 948 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [0,1,0,1,0,0|2,0,0]=4 949 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,1,0,1,0,0|0,0,0]=2 950 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,1,0,1,0,0|2,0,0]=4 951 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,1,0,1,0,0|2,0,0]=4 952 B10R1.113 C[C@H]1COC[C@H](N1)C(=O)N Z2379579403 [0,1,0,1,0,0|2,0,0]=4 953 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,1,0,1,0,0|0,0,0]=2 954 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,1,0,1,0,0|0,0,0]=2 955 B10R1.113 N[C@H]1C=CC[C@@H](C1)C(=O)O Z2785908692 [0,1,0,1,0,0|0,0,2]=4 956 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,1,0,1,0,0|1,0,0]=3 957 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,1,0,1,0,0|1,0,0]=3 958 B10R1.113 O=C1CCCC(C1)C(F)F Z1400826043 [0,1,0,1,0,0|2,0,0]=4 959 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,1,0,1,0,0|0,0,1]=3 960 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [0,1,0,1,0,0|1,0,1]=4 961 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,1,0,1,0,0|1,0,1]=4 962 B10R1.176 CN1CCC(CC1=O)CN Z2362330040 [0,1,0,1,0,0|2,0,0]=4 963 B10R1.204 NC(CC1CCC1)C(=O)O Z2306604307 [0,1,0,1,0,0|1,0,0]=3 964 B10R1.205 CC(OCC1CC1)C(=O)O Z332379292 [0,1,0,1,0,0|2,0,0]=4 965 B10R1.291 CC1CCCC1(C)C(=O)O Z1205495850 [0,1,0,1,0,0|1,0,0]=3 966 B10R1.291 CC1CCCC1(N)C(=O)N Z1258614045 [0,1,0,1,0,0|2,0,0]=4 967 B10R1.291 CC1CCCC1(N)C(=O)O Z3037488514 [0,1,0,1,0,0|1,0,0]=3 968 B10R1.291 CC1OCCC1(C)C(=O)O Z1643426568 [0,1,0,1,0,0|2,0,0]=4 969 B10R1.291 C[C@@H]1CNC[C@@]1(C)C(=O)O Z3036775390 [0,1,0,1,0,0|2,0,0]=4 970 B10R1.291 O=C(O)[C@@]1(CNC[C@H]1O)O Z5064709371 [0,1,0,1,0,0|2,0,0]=4 971 B10R1.363 CC(=O)C1(CCCCC1)N Z2106606026 [0,1,0,1,0,0|2,0,0]=4 972 B10R1.363 CC1(C=CCCC1)C(=O)O Z1205494611 [0,1,0,1,0,0|1,0,1]=4 973 B10R1.363 CC1(C=CCCN1)C(=O)O Z4648131040 [0,1,0,1,0,0|0,0,2]=4 974 B10R1.363 CC1(CCCCC1)C(=O)O Z995180964 [0,1,0,1,0,0|1,0,0]=3 975 B10R1.363 CC1(CCCCN1)C(=O)N Z1635388032 [0,1,0,1,0,0|1,0,0]=3 976 B10R1.363 CC1(CCCCN1)C(=O)O Z1623864156 [0,1,0,1,0,0|0,0,0]=2 977 B10R1.363 CC1(CCCCO1)C(=O)O Z1198235237 [0,1,0,1,0,0|1,0,0]=3 978 B10R1.363 CC1(CCCNC1)C(=O)O Z1262691675 [0,1,0,1,0,0|2,0,0]=4 979 B10R1.363 CC1(CCCOC1)C(=O)O Z1079130408 [0,1,0,1,0,0|2,0,0]=4 980 B10R1.363 CC1(CCNCC1)C(=O)O Z1642389877 [0,1,0,1,0,0|2,0,0]=4 981 B10R1.363 CC1(CCOCC1)C(=O)O Z992920340 [0,1,0,1,0,0|2,0,0]=4 982 B10R1.363 CC1(CCSCC1)C(=O)O Z1255441874 [0,1,0,1,0,0|2,0,0]=4 983 B10R1.363 CC1(CNCCN1)C(=O)O Z5392656375 [0,1,0,1,0,0|1,0,0]=3 984 B10R1.363 CC1(SCCCS1)C(=O)O Z1262514536 [0,1,0,1,0,0|2,0,0]=4 985 B10R1.363 NC(=O)C1(CCCCC1)N Z426041556 [0,1,0,1,0,0|2,0,0]=4 986 B10R1.363 NC(=O)C1(CCCCC1)O Z965048712 [0,1,0,1,0,0|2,0,0]=4 987 B10R1.363 NC1(CCCNC1)C(=O)O Z2509346558 [0,1,0,1,0,0|2,0,0]=4 988 B10R1.363 NC1(CCCOC1)C(=O)O Z3719007739 [0,1,0,1,0,0|2,0,0]=4 989 B10R1.363 NC1(CCCSC1)C(=O)O Z1029463938 [0,1,0,1,0,0|2,0,0]=4 990 B10R1.363 NC1(CCNCC1)C(=O)O Z1255490001 [0,1,0,1,0,0|2,0,0]=4 991 B10R1.363 NC1(CCOCC1)C(=O)O Z440604890 [0,1,0,1,0,0|2,0,0]=4 992 B10R1.363 NC1(CCSCC1)C(=O)O Z802893750 [0,1,0,1,0,0|2,0,0]=4 993 B10R1.363 O=C(O)C1(CCCCC1)O Z220542624 [0,1,0,1,0,0|1,0,0]=3 994 B10R1.363 O=C(O)C1(CCCNC1)O Z2738500676 [0,1,0,1,0,0|2,0,0]=4 995 B10R1.363 O=C(O)C1(CCCOC1)F Z3243070298 [0,1,0,1,0,0|2,0,0]=4 996 B10R1.363 O=C(O)C1(CCNCC1)F Z3234885472 [0,1,0,1,0,0|2,0,0]=4 997 B10R1.363 O=C(O)C1(CCOCC1)F Z1255373743 [0,1,0,1,0,0|2,0,0]=4 998 B10R1.363 O=C(O)C1(CCOCC1)O Z788000910 [0,1,0,1,0,0|2,0,0]=4 999 B10R1.363 O=C(O)C1(CCSCC1)O Z803080616 [0,1,0,1,0,0|2,0,0]=4 1000 B10R1.59 CC1CC(C(O1)C(=O)O)C Z1947908132 [0,1,0,1,0,0|2,0,0]=4 1001 B10R1.59 CN1C[C@@H](C[C@@H]1C(=O)O)O Z3247574257 [0,1,0,1,0,0|2,0,0]=4 1002 B10R1.59 N[C@@H]1C[C@@H](C[C@@H]1C(=O)O)O Z2939860921 [0,1,0,1,0,0|0,0,0]=2 1003 B10R1.82 NC(=O)CCC1CC(C1)N Z5419595317 [0,1,0,1,0,0|1,0,0]=3 1004 B10R1.82 NC1CC(C1)CCC(=O)O Z3070475300 [0,1,0,1,0,0|0,0,0]=2 1005 B10R1.82 N[C@H]1C[C@@H](C1)CCC(=O)O Z3681494125 [0,1,0,1,0,0|0,0,0]=2 1006 B10R1.82 N[C@H]1C[C@H](C1)CCC(=O)O Z3213800541 [0,1,0,1,0,0|0,0,0]=2 1007 B10R1.107 N[C@@H]1C[C@@H]([C@H]1CC(=O)O)O Z4401324718 [0,1,0,1,0,0|0,0,0]=2 1008 B10R1.211 O=C(O)CCC(=O)C1CC1 Z838955870 [0,1,0,1,0,0|1,0,1]=4 1009 B10R1.353 O=C([O-])CCC1(CCC1)O Z2238932944 [0,1,0,1,0,0|1,0,1]=4 1010 B10R1.128 CC1(CCCC1C(=O)O)C Z1205494169 [0,1,0,1,0,0|1,0,0]=3 1011 B10R1.128 CC1(CCNC1C(=O)O)C Z2301438439 [0,1,0,1,0,0|2,0,0]=4 1012 B10R1.128 CC1(CNCC1C(=O)O)C Z1741975323 [0,1,0,1,0,0|2,0,0]=4 1013 B10R1.128 CC1(NCCC1C(=O)O)C Z3485881429 [0,1,0,1,0,0|2,0,0]=4 1014 B10R1.128 CC1(OCCC1C(=O)O)C Z1205495057 [0,1,0,1,0,0|2,0,0]=4 1015 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N Z2306832357 [0,1,0,1,0,0|0,0,0]=2 1016 B10R1.128 O=C(O)C1CCCC1(F)F Z1222424705 [0,1,0,1,0,0|1,0,0]=3 1017 B10R1.128 O=C(O)C1CCCS1(=O)=O Z1259179102 [0,1,0,1,0,0|2,0,0]=4 1018 B10R1.361 NC(=O)C1CCC1C(=O)O Z1203638038 [0,1,0,1,0,0|0,0,1]=3 1019 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O Z2306736599 [0,1,0,1,0,0|1,0,1]=4 1020 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(=O)O Z2235790964 [0,1,0,1,0,0|1,0,0]=3 1021 B10R1.368 CN(C)C[C@@H]1C[C@@H]1C(=O)O Z3681224464 [0,1,0,1,0,0|2,0,0]=4 1022 B10R2.31 O=C1CC[C@@H]2CC[C@@H]2N1 Z4402563392 [0,0,0,2,0,0|2,0,0]=4 1023 B10R2.61 O=C1NC2CCNC1C2 Z1509030871 [0,0,0,2,0,0|1,0,0]=3 1024 B10R2.61 O=C1OC2CCNC1C2 Z5219768392 [0,0,0,2,0,0|0,0,0]=2 1025 B10R2.62 O=C1CC2CCC1CC2 Z1379488333 [0,0,0,2,0,0|2,0,0]=4 1026 B10R2.62 O=C1NC2CCC1CC2 Z926909656 [0,0,0,2,0,0|2,0,0]=4 1027 B10R2.62 OC1CC2CCC1NC2 Z1203745880 [0,0,0,2,0,0|1,0,1]=4 1028 B10R2.68 O=C1NCCC2C1CC2 Z3243444395 [0,0,0,2,0,0|2,0,0]=4 1029 B10R2.71 O=C1CC2CCC(C1)S2 Z1513596116 [0,0,0,2,0,0|2,0,0]=4 1030 B10R2.71 O=S1CC2CNC(C2)C1 Z5013437859 [0,0,0,2,0,0|2,0,0]=4 1031 B10R2.71 OC1CC2CCC(C1)N2 Z727903334 [0,0,0,2,0,0|1,0,1]=4 1032 B10R2.71 OC1CC2CNC(C1)C2 Z2703607581 [0,0,0,2,0,0|1,0,1]=4 1033 B10R2.534 O=C1CCCC2(N1)CC2 Z1255420866 [0,0,0,2,0,0|2,0,0]=4 1034 B10R2.320 O=C1N[C@H]2[C@@H]1CCCC2 Z2289709427 [0,0,0,2,0,0|2,0,0]=4 1035 B10R2.344 O=C(O)C12CNCC1C2 Z600584248 [0,0,0,2,0,0|2,0,0]=4 1036 B10R2.344 O=C(O)[C@@]12CNC[C@@H]1C2 Z2568674577 [0,0,0,2,0,0|2,0,0]=4 1037 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 Z2432382009 [0,0,0,2,0,0|2,0,0]=4 1038 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Z414834462 [0,0,0,2,0,0|0,0,0]=2 1039 B10R2.351 O=C(O)C1C2C1CCC2 Z235263813 [0,0,0,2,0,0|1,0,0]=3 1040 B10R2.351 O=C(O)[C@@H]1[C@@H]2[C@H]1CNC2 Z414834466 [0,0,0,2,0,0|2,0,0]=4 1041 B10R2.355 O=C(O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3182359549 [0,0,0,2,0,0|0,0,0]=2 1042 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [0,0,0,2,0,0|0,0,0]=2 1043 B10R2.2 O=C1CC2CCOC2O1 Z234901875 [0,0,0,2,0,0|2,0,0]=4 1044 B10R2.14 O=C1CCC(C1)C2CC2 Z1233207534 [0,0,0,2,0,0|2,0,0]=4 1045 B10R2.32 O=C1NCC2C1CCC2 Z1198170665 [0,0,0,2,0,0|2,0,0]=4 1046 B10R2.32 O=C1NC[C@H]2[C@@H]1CCC2 Z3715300326 [0,0,0,2,0,0|2,0,0]=4 1047 B10R2.32 O=C1OC[C@H]2[C@@H]1CCC2 Z2786565576 [0,0,0,2,0,0|1,0,0]=3 1048 B10R2.32 O=C1OC[C@H]2[C@@H]1NCC2 Z4078237372 [0,0,0,2,0,0|2,0,0]=4 1049 B10R2.32 O[C@@H]1CC[C@@H]2[C@H]1NCC2 Z2687578440 [0,0,0,2,0,0|1,0,1]=4 1050 B10R2.32 O[C@@H]1CC[C@H]2[C@@H]1NCC2 Z3511194672 [0,0,0,2,0,0|1,0,1]=4 1051 B10R2.64 N[C@@H]1C[C@@H]2[C@H]1CC(=O)O2 Z3282751212 [0,0,0,2,0,0|0,0,0]=2 1052 B10R2.64 O=C1C[C@H]2[C@@H](C[C@H]2N1)O Z3304095494 [0,0,0,2,0,0|2,0,0]=4 1053 B10R2.332 O=C1NCC2(O1)CCC2 Z1203749291 [0,0,0,2,0,0|2,0,0]=4 1054 B10R2.267 O=C1CC(N1)CC2CO2 Z3326502629 [0,0,0,2,0,0|2,0,0]=4 1055 B10R2.316 O=C1CC2(N1)CCCC2 Z1238837513 [0,0,0,2,0,0|2,0,0]=4 1056 B10R2.28 C[C@]1(C[C@H]2C[C@@H]1CN2)O Z4690434296 [0,0,0,2,0,0|1,0,1]=4 1057 B10R2.638 O=C(O)C1CC12CCC2 Z1201622715 [0,0,0,2,0,0|1,0,0]=3