0 B7R0.1 C#CCOCCCN Z4502872707 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 CC#CCCCCO Z1233226212 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.1 CCCCCCCO Z104473596 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.1 CCCCCCNC Z5419328797 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.1 CCCCOCCN Z409191398 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.1 CCCOCCCO Z1080358966 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.1 CCNCCOCC Z138138014 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.1 CCOCCCC#N Z295205414 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.1 CCOCCCCO Z993012560 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.1 CCSCCCC#N Z332378682 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.1 CNCCCCCN Z4097840720 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.1 CNCCCCOC Z875082126 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.1 COCCCCC#N Z815260498 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.1 COCCCCCN Z608347192 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.1 COCCCCCO Z993012416 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.1 COCCNCCF Z2512872814 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.1 COCCNCCN Z2940670642 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.1 COCCNCCO Z266088374 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.1 COCCOCC#N Z295206426 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.1 COCCOCCN Z285178622 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.1 COCCOCCO Z849748688 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.1 CSCCCCC#N Z823282284 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.1 CSCCCCCN Z823285026 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.1 CSCCCCCO Z968557058 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.1 CSCCCCSC Z1198148193 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.1 ClCCCNCCCl Z2242062238 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.1 N#CCCNCCO Z53116581 [0,0,0,0,0,0|2,0,1]=3 27 B7R0.1 NCCCCCCN Z104473514 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.1 NCCOCCCO Z2044949087 [0,0,0,0,0,0|2,0,0]=2 29 B7R0.1 NCCSCCCO Z406685362 [0,0,0,0,0,0|2,1,0]=3 30 B7R0.1 OCCCCCCBr Z1255398867 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.1 OCCCCCCO Z104473540 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.1 OCCCNCCO Z104654390 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.1 OCCCOCCO Z1373668758 [0,0,0,0,0,0|1,0,0]=1 34 B7R0.1 OCCCSCCO Z149155194 [0,0,0,0,0,0|1,1,0]=2 35 B7R0.1 OCCSSCCO Z1255415413 [0,0,0,0,0,0|2,1,0]=3 36 B6R0.6 C#CCCCCN Z1431002697 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.6 C#CCNCCC Z815264308 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 C=CCCCCN Z1198160046 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.6 C=CCNCCO Z137800938 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.6 C=CCOCCN Z976678988 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.6 CCC#CCCN Z1203585246 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.6 CCCCCCO Z104473568 [1,0,0,0,0,0|0,0,0]=1 43 B6R0.6 CCCCN=C=S Z104473876 [1,0,0,0,0,0|1,1,1]=4 44 B6R0.6 CCCNCC#N Z235653524 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.6 CCCOCCN Z4449042604 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.6 CCNCCCF Z1203824341 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.6 CCNCCCO Z138139914 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.6 CCNCCSC Z2412193591 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.6 CCOCCCO Z1080358490 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.6 CNCCCCN Z2939606540 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.6 CNCCCCO Z839096662 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.6 CNCCCOC Z137847932 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.6 CNCCCSC Z102766932 [1,0,0,0,0,0|3,0,0]=4 54 B6R0.6 COCCCC#N Z295205400 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.6 COCCCCO Z431605254 [1,0,0,0,0,0|1,0,0]=2 56 B6R0.6 CONCCCN Z2492414217 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.6 ClCCNCCCl Z57388616 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.6 FCCNCCF Z4880681336 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.6 N#CCCCCN Z823279224 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.6 N#CCCCCO Z431952150 [1,0,0,0,0,0|1,0,1]=3 61 B6R0.6 NCC#CCCO Z1203639371 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.6 NCCC#CCO Z4947584692 [1,0,0,0,0,0|1,0,2]=4 63 B6R0.6 NCCCCCF Z3524160733 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.6 NCCCCCN Z951173830 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.6 NCCNCCN Z104475186 [1,0,0,0,0,0|3,0,0]=4 66 B6R0.6 OCCNCCO Z104475196 [1,0,0,0,0,0|2,0,0]=3 67 B8R0.1 CCCOC(=O)OCC Z2375631176 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.1 CCNC(=O)NCCO Z425745170 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.1 CCOC(=O)NCCO Z31725113 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.1 CNCCN(C)CCO Z2526438856 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.1 COCCN(C)CCN Z415691186 [0,1,0,0,0,0|3,0,0]=4 72 B8R0.1 COCCS(=O)CCN Z4500883985 [0,1,0,0,0,0|2,1,0]=4 73 B8R0.4 C#CCCCCCCN Z3847490647 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.4 C#CCCCCCCO Z1198157198 [0,1,0,0,0,0|1,0,1]=3 75 B8R0.4 C#CCCNCCOC Z840366364 [0,1,0,0,0,0|1,0,2]=4 76 B8R0.4 C=CCCCCCCN Z1198263320 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.4 CCCCCCCCO Z104473500 [0,1,0,0,0,0|1,0,0]=2 78 B8R0.4 CCCCCNCCO Z137800944 [0,1,0,0,0,0|1,0,0]=2 79 B8R0.4 CCCCNCCCC Z102766286 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.4 CCCCNCCCO Z102766210 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.4 CCNCCOCCN Z1323539868 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.4 CCOCCOCCN Z2900987685 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.4 COCCCNCCO Z382722010 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.4 COCCNCCC#N Z53116037 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.4 COCCNCCCN Z970105370 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.4 COCCNCCOC Z104475212 [0,1,0,0,0,0|2,0,0]=3 87 B8R0.4 COCCOCCC#N Z317037866 [0,1,0,0,0,0|1,0,1]=3 88 B8R0.4 COCCOCCCO Z1080358808 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.4 COCCOCCOC Z104473160 [0,1,0,0,0,0|1,0,0]=2 90 B8R0.4 NCCCCCCCN Z275166586 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.4 NCCCCCCCO Z3016956569 [0,1,0,0,0,0|1,0,0]=2 92 B8R0.4 NCCCNCCCN Z1203577926 [0,1,0,0,0,0|3,0,0]=4 93 B8R0.4 OCCCNCCCO Z104684334 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.6 CC(CO)CSCCO Z1270309408 [0,1,0,0,0,0|1,1,0]=3 95 B8R0.6 CCCCCC(=O)NO Z59181978 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.6 CCCCNC(=O)CCl Z56853747 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.6 CCCCOC(=O)CN Z1266823221 [0,1,0,0,0,0|1,0,1]=3 98 B8R0.6 CCCCOC(=O)OC Z1238573230 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.6 CNC(=O)COCCN Z1457935024 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.7 C#CCCOCC(=O)O Z1205655947 [0,1,0,0,0,0|0,0,3]=4 101 B8R0.7 C=CCCOCC(=O)O Z362807886 [0,1,0,0,0,0|0,0,3]=4 102 B8R0.7 CC(C)CCCCCO Z1198149583 [0,1,0,0,0,0|1,0,0]=2 103 B8R0.7 CC(C)CCNCCO Z102766092 [0,1,0,0,0,0|1,0,0]=2 104 B8R0.7 CC(C)CCOCCO Z608482468 [0,1,0,0,0,0|0,0,0]=1 105 B8R0.7 CC(C)COCCC#N Z317037868 [0,1,0,0,0,0|2,0,1]=4 106 B8R0.7 CC(C)COCCCO Z1080358758 [0,1,0,0,0,0|2,0,0]=3 107 B8R0.7 CC(C)CSCCCN Z57970257 [0,1,0,0,0,0|2,1,0]=4 108 B8R0.7 CC(C)OCCCCO Z993012606 [0,1,0,0,0,0|2,0,0]=3 109 B8R0.7 CCCCCCC(=N)N Z4088236340 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.7 CCCCCCC(=O)O Z104474412 [0,1,0,0,0,0|1,0,1]=3 111 B8R0.7 CCCCCCC(C)N Z104477186 [0,1,0,0,0,0|2,0,0]=3 112 B8R0.7 CCCCNCC(=O)N Z398513412 [0,1,0,0,0,0|1,0,2]=4 113 B8R0.7 CCCCOCC(=O)O Z409190912 [0,1,0,0,0,0|0,0,1]=2 114 B8R0.7 CCCCSCC(=O)O Z239951532 [0,1,0,0,0,0|0,1,1]=3 115 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.7 CCCNCCN(C)C Z1250222486 [0,1,0,0,0,0|3,0,0]=4 117 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.7 CCOCCCC(=O)O Z316258950 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.7 CN(C)CCCCCN Z3247604067 [0,1,0,0,0,0|3,0,0]=4 120 B8R0.7 CN(C)CCCCCO Z968555516 [0,1,0,0,0,0|2,0,0]=3 121 B8R0.7 CN(C)CCNCCO Z137800968 [0,1,0,0,0,0|2,0,0]=3 122 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.7 CNCCCCC(C)C Z5530305220 [0,1,0,0,0,0|3,0,0]=4 124 B8R0.7 COCCCCC(=O)O Z362633826 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.7 COCCNCC(=O)O Z1276446903 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.7 COCCNCC(C)C Z90501879 [0,1,0,0,0,0|3,0,0]=4 127 B8R0.7 COCCNCC(F)F Z1262327544 [0,1,0,0,0,0|3,0,0]=4 128 B8R0.7 COCCOCC(=O)C Z447894346 [0,1,0,0,0,0|1,0,2]=4 129 B8R0.7 COCCOCC(=O)O Z104477918 [0,1,0,0,0,0|1,0,1]=3 130 B8R0.7 COCCOCC(C)N Z1262237318 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.7 COCCSCC(=O)O Z167837764 [0,1,0,0,0,0|1,1,1]=4 132 B8R0.7 CSCCCCC(=O)O Z732206636 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.7 N#CCCOCC(F)F Z1251415675 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,1,0,0,0,0|2,0,1]=4 136 B8R0.7 NCCCOCC(=O)O Z3178895188 [0,1,0,0,0,0|1,0,1]=3 137 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,1,0,0,0,0|2,0,1]=4 139 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.7 O=C(O)CCNCCO Z53116574 [0,1,0,0,0,0|2,0,1]=4 141 B8R0.7 OCCCOCC(F)F Z1532734938 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.2 BrCC1CCCCO1 Z104484248 [0,0,0,1,0,0|1,0,0]=2 143 B8R1.2 C#CC1CCCCC1 Z1255457380 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.2 C#CC1CCCCN1 Z2940715353 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.2 C#CC1COCCN1 Z2235775085 [0,0,0,1,0,0|1,0,2]=4 146 B8R1.2 C=CC1CCCCN1 Z2142036752 [0,0,0,1,0,0|2,0,1]=4 147 B8R1.2 CCC1CCCCN1 Z839028612 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.2 CCC1CCCNC1 Z381019246 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.2 CCC1CCNCC1 Z1198394219 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.2 CCC1CNCCN1 Z3234914816 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.2 CCC1CNCCO1 Z283724556 [0,0,0,1,0,0|1,0,0]=2 152 B8R1.2 CCC1CNCCS1 Z1203735378 [0,0,0,1,0,0|1,1,0]=3 153 B8R1.2 CCC1COCCN1 Z405749950 [0,0,0,1,0,0|1,0,0]=2 154 B8R1.2 CNC1CCCSC1 Z1873867368 [0,0,0,1,0,0|2,1,0]=4 155 B8R1.2 COC1CNCCO1 Z1203748232 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.2 ClCC1CCOCO1 Z56932992 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.2 ClCC1CNCCO1 Z1198749808 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.2 FCC1CCCNC1 Z2768770399 [0,0,0,1,0,0|3,0,0]=4 159 B8R1.2 FCC1CNCCO1 Z1262569974 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.2 N#CC1CCCCC1 Z210803886 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.2 N#CC1CCCCN1 Z205012332 [0,0,0,1,0,0|2,0,1]=4 162 B8R1.2 N#CC1CCCCS1 Z1413800329 [0,0,0,1,0,0|1,1,1]=4 163 B8R1.2 N#CC1CCCOC1 Z1079179226 [0,0,0,1,0,0|2,0,1]=4 164 B8R1.2 N#CC1CNCCO1 Z1263820378 [0,0,0,1,0,0|2,0,1]=4 165 B8R1.2 N#CC1COCCN1 Z1198234963 [0,0,0,1,0,0|2,0,1]=4 166 B8R1.2 N#CC1CSCCO1 Z1356110445 [0,0,0,1,0,0|1,1,1]=4 167 B8R1.2 NCC1=CCCCC1 Z2230911155 [0,0,0,1,0,0|2,0,1]=4 168 B8R1.2 NCC1=CCCOC1 Z2096659348 [0,0,0,1,0,0|2,0,1]=4 169 B8R1.2 NCC1=COCCO1 Z425641798 [0,0,0,1,0,0|1,0,2]=4 170 B8R1.2 NCC1CCCCC1 Z235354645 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.2 NCC1CCCCO1 Z839575544 [0,0,0,1,0,0|1,0,0]=2 172 B8R1.2 NCC1CCCCS1 Z1318217220 [0,0,0,1,0,0|1,1,0]=3 173 B8R1.2 NCC1CCOCC1 Z440605454 [0,0,0,1,0,0|3,0,0]=4 174 B8R1.2 NCC1CCOCO1 Z1431005851 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.2 NCC1COCCN1 Z2768165249 [0,0,0,1,0,0|2,0,0]=3 176 B8R1.2 NCC1CSCCN1 Z1203585142 [0,0,0,1,0,0|2,1,0]=4 177 B8R1.2 NCC1CSCCS1 Z1198167851 [0,0,0,1,0,0|1,2,0]=4 178 B8R1.2 NC[C@H]1CCCNC1 Z2686452674 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.2 NOC1CCCCO1 Z968560364 [0,0,0,1,0,0|2,0,0]=3 180 B8R1.2 O=CC1CCCCC1 Z104478974 [0,0,0,1,0,0|1,0,2]=4 181 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,0,0,1,0,0|0,0,2]=3 182 B8R1.2 O=CC1CCCOC1 Z1065877672 [0,0,0,1,0,0|2,0,1]=4 183 B8R1.2 OCC1=CCNCC1 Z2310702179 [0,0,0,1,0,0|2,0,1]=4 184 B8R1.2 OCC1=COCCO1 Z1101443027 [0,0,0,1,0,0|1,0,2]=4 185 B8R1.2 OCC1C=CCCN1 Z4430264645 [0,0,0,1,0,0|1,0,2]=4 186 B8R1.2 OCC1CC=CCC1 Z104476102 [0,0,0,1,0,0|1,0,2]=4 187 B8R1.2 OCC1CCCCC1 Z104503428 [0,0,0,1,0,0|1,0,0]=2 188 B8R1.2 OCC1CCCCN1 Z104476610 [0,0,0,1,0,0|1,0,0]=2 189 B8R1.2 OCC1CCCCO1 Z104479808 [0,0,0,1,0,0|0,0,0]=1 190 B8R1.2 OCC1CCCNC1 Z104479614 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.2 OCC1CCCOC1 Z445213352 [0,0,0,1,0,0|2,0,0]=3 192 B8R1.2 OCC1CCNCC1 Z380864362 [0,0,0,1,0,0|2,0,0]=3 193 B8R1.2 OCC1CCOCC1 Z979753218 [0,0,0,1,0,0|2,0,0]=3 194 B8R1.2 OCC1CCSCC1 Z1198266791 [0,0,0,1,0,0|2,0,0]=3 195 B8R1.2 OCC1CNCCO1 Z1235945999 [0,0,0,1,0,0|1,0,0]=2 196 B8R1.2 OCC1COCCN1 Z2513335525 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.2 OCC1COCCO1 Z1020816972 [0,0,0,1,0,0|1,0,0]=2 198 B8R1.2 OCC1CSCCN1 Z1203733048 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [0,0,0,1,0,0|1,0,0]=2 200 B8R1.2 ON=C1CCCCC1 Z49568468 [0,0,0,1,0,0|2,0,1]=4 201 B8R1.5 CC1CCCCC1=O Z104477192 [0,0,0,1,0,0|1,0,2]=4 202 B8R1.5 CC1CCCCC1O Z104478402 [0,0,0,1,0,0|1,0,0]=2 203 B8R1.5 CC1CCCNC1C Z959345762 [0,0,0,1,0,0|3,0,0]=4 204 B8R1.5 CC1CCNCC1N Z4351244628 [0,0,0,1,0,0|2,0,0]=3 205 B8R1.5 CC1CCOCC1N Z3035821495 [0,0,0,1,0,0|1,0,0]=2 206 B8R1.5 CC1CNCCC1O Z1742055068 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.5 CC1CNCCN1C Z2408371461 [0,0,0,1,0,0|3,0,0]=4 208 B8R1.5 CC1COCCC1=O Z1192338803 [0,0,0,1,0,0|2,0,1]=4 209 B8R1.5 CC1COCCC1N Z1868316869 [0,0,0,1,0,0|2,0,0]=3 210 B8R1.5 CC1COCCC1O Z1255390393 [0,0,0,1,0,0|2,0,0]=3 211 B8R1.5 CC1NCCCC1O Z2235409289 [0,0,0,1,0,0|2,0,0]=3 212 B8R1.5 C[C@@H]1CC=CC[C@H]1N Z2935743479 [0,0,0,1,0,0|2,0,1]=4 213 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [0,0,0,1,0,0|1,0,0]=2 214 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [0,0,0,1,0,0|1,0,0]=2 215 B8R1.5 C[C@@H]1NCCC[C@@H]1N Z5041247026 [0,0,0,1,0,0|3,0,0]=4 216 B8R1.5 C[C@@H]1NCCC[C@@H]1O Z2568757708 [0,0,0,1,0,0|2,0,0]=3 217 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [0,0,0,1,0,0|1,0,0]=2 218 B8R1.5 C[C@H]1CCCC[C@H]1N Z3244401660 [0,0,0,1,0,0|2,0,0]=3 219 B8R1.5 NC1CCCCC1N Z104474510 [0,0,0,1,0,0|3,0,0]=4 220 B8R1.5 NC1CCOCC1O Z2688974552 [0,0,0,1,0,0|1,0,0]=2 221 B8R1.5 N[C@@H]1CCCC[C@@H]1F Z2724313717 [0,0,0,1,0,0|3,0,0]=4 222 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [0,0,0,1,0,0|2,0,0]=3 223 B8R1.5 N[C@@H]1COCC[C@H]1N Z4745609917 [0,0,0,1,0,0|2,0,0]=3 224 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,0,0,1,0,0|2,0,0]=3 225 B8R1.5 N[C@H]1CCCC[C@@H]1N Z1147137780 [0,0,0,1,0,0|3,0,0]=4 226 B8R1.5 N[C@H]1CCCC[C@H]1N Z1203577984 [0,0,0,1,0,0|3,0,0]=4 227 B8R1.5 OC1CCCCC1O Z600453486 [0,0,0,1,0,0|2,0,0]=3 228 B8R1.5 OC1CCNCC1F Z1416168950 [0,0,0,1,0,0|3,0,0]=4 229 B8R1.5 OC1NCCCC1F Z3995268169 [0,0,0,1,0,0|3,0,0]=4 230 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [0,0,0,1,0,0|2,0,0]=3 231 B8R1.5 O[C@@H]1CNCC[C@H]1F Z2307343627 [0,0,0,1,0,0|2,0,0]=3 232 B8R1.5 O[C@H]1CONC[C@H]1O Z3073361071 [0,0,0,1,0,0|2,0,0]=3 233 B8R1.8 C#CCN1CCCC1 Z1511513967 [0,0,0,1,0,0|2,0,1]=4 234 B8R1.8 CCCC1CCNC1 Z940902738 [0,0,0,1,0,0|3,0,0]=4 235 B8R1.8 CCCC1NCCS1 Z2144245754 [0,0,0,1,0,0|1,1,0]=3 236 B8R1.8 CCCN1CCCC1 Z4634999686 [0,0,0,1,0,0|2,0,0]=3 237 B8R1.8 CCNC1CCCC1 Z90513159 [0,0,0,1,0,0|3,0,0]=4 238 B8R1.8 CNCC1CCCC1 Z1162448850 [0,0,0,1,0,0|3,0,0]=4 239 B8R1.8 CNCC1CCCO1 Z137696198 [0,0,0,1,0,0|2,0,0]=3 240 B8R1.8 COCC1CCCN1 Z1342208414 [0,0,0,1,0,0|3,0,0]=4 241 B8R1.8 CSCC1CCCN1 Z839514412 [0,0,0,1,0,0|3,0,0]=4 242 B8R1.8 ClCCN1CCCC1 Z104489566 [0,0,0,1,0,0|2,0,0]=3 243 B8R1.8 N#CCC1CCCC1 Z804898574 [0,0,0,1,0,0|2,0,1]=4 244 B8R1.8 N#CCC1CCCO1 Z94601183 [0,0,0,1,0,0|2,0,1]=4 245 B8R1.8 N#CCN1CCCC1 Z168893456 [0,0,0,1,0,0|2,0,1]=4 246 B8R1.8 NCCC1CCCC1 Z398556750 [0,0,0,1,0,0|2,0,0]=3 247 B8R1.8 NCCC1CCCO1 Z1245635808 [0,0,0,1,0,0|2,0,0]=3 248 B8R1.8 NCCC1CCCS1 Z2681242377 [0,0,0,1,0,0|2,1,0]=4 249 B8R1.8 NCCN1CCCC1 Z812516900 [0,0,0,1,0,0|2,0,0]=3 250 B8R1.8 O=CCC1CCCC1 Z993017732 [0,0,0,1,0,0|1,0,2]=4 251 B8R1.8 O=CCC1CCCO1 Z1183458964 [0,0,0,1,0,0|2,0,1]=4 252 B8R1.8 OCCC1CCCC1 Z397587408 [0,0,0,1,0,0|1,0,0]=2 253 B8R1.8 OCCC1CCCN1 Z1198148537 [0,0,0,1,0,0|2,0,0]=3 254 B8R1.8 OCCC1CCCO1 Z1183459210 [0,0,0,1,0,0|2,0,0]=3 255 B8R1.8 OCCC1CCNC1 Z1198184196 [0,0,0,1,0,0|2,0,0]=3 256 B8R1.8 OCCC1CCOC1 Z1138844344 [0,0,0,1,0,0|2,0,0]=3 257 B8R1.8 OCCN1CCCC1 Z104477730 [0,0,0,1,0,0|1,0,0]=2 258 B8R1.9 C[C@@H]1C[C@@H]1CCC=O Z4130582680 [0,0,0,1,0,0|1,0,2]=4 259 B8R1.9 C[C@@H]1C[C@H]1CCCN Z4081421787 [0,0,0,1,0,0|2,0,0]=3 260 B8R1.10 C#CCNC1CCC1 Z859815592 [0,0,0,1,0,0|2,0,1]=4 261 B8R1.10 C#CCOC1CNC1 Z3023633206 [0,0,0,1,0,0|2,0,1]=4 262 B8R1.10 CCNCC1CCC1 Z1947443776 [0,0,0,1,0,0|3,0,0]=4 263 B8R1.10 NCCCC1CCC1 Z2522552643 [0,0,0,1,0,0|2,0,0]=3 264 B8R1.10 NCCOC1CCC1 Z959310784 [0,0,0,1,0,0|1,0,0]=2 265 B8R1.10 O=CCCC1CCC1 Z1717769279 [0,0,0,1,0,0|1,0,2]=4 266 B8R1.10 O=CCCC1CCO1 Z2327124310 [0,0,0,1,0,0|2,0,1]=4 267 B8R1.10 OCCOC1CCC1 Z959313250 [0,0,0,1,0,0|0,0,0]=1 268 B8R1.11 C#C[C@@H]1CNC[C@H]1O Z5293552859 [0,0,0,1,0,0|1,0,2]=4 269 B8R1.11 C=C[C@@H]1CCC[C@H]1O Z3015056914 [0,0,0,1,0,0|1,0,2]=4 270 B8R1.11 C=C[C@H]1CNC[C@H]1O Z5042750192 [0,0,0,1,0,0|1,0,2]=4 271 B8R1.11 CC1CCCC1C#N Z1258611152 [0,0,0,1,0,0|2,0,1]=4 272 B8R1.11 CC1CCCC1C=O Z1268606470 [0,0,0,1,0,0|1,0,2]=4 273 B8R1.11 CC1CCNC1CO Z1203831515 [0,0,0,1,0,0|1,0,0]=2 274 B8R1.11 CC1NCCC1CO Z1255464335 [0,0,0,1,0,0|2,0,0]=3 275 B8R1.11 CCC1CCCC1=O Z813018310 [0,0,0,1,0,0|1,0,2]=4 276 B8R1.11 CCC1CCCC1N Z813018518 [0,0,0,1,0,0|2,0,0]=3 277 B8R1.11 CCC1CCNC1C Z1723849126 [0,0,0,1,0,0|3,0,0]=4 278 B8R1.11 CCC1CNCC1O Z1509030677 [0,0,0,1,0,0|1,0,0]=2 279 B8R1.11 CCC1NCCC1C Z1723849174 [0,0,0,1,0,0|2,0,0]=3 280 B8R1.11 CN1CCCC1CN Z326202522 [0,0,0,1,0,0|3,0,0]=4 281 B8R1.11 COC1CCCC1O Z854223428 [0,0,0,1,0,0|2,0,0]=3 282 B8R1.11 CO[C@@H]1CCC[C@@H]1N Z3847443224 [0,0,0,1,0,0|3,0,0]=4 283 B8R1.11 CO[C@@H]1CCC[C@H]1N Z2235777878 [0,0,0,1,0,0|3,0,0]=4 284 B8R1.11 CO[C@@H]1CCC[C@H]1O Z2286637815 [0,0,0,1,0,0|2,0,0]=3 285 B8R1.11 CO[C@@H]1CNC[C@H]1F Z2307368321 [0,0,0,1,0,0|3,0,0]=4 286 B8R1.11 CO[C@@H]1CNC[C@H]1O Z1982426537 [0,0,0,1,0,0|2,0,0]=3 287 B8R1.11 CO[C@H]1CCC[C@@H]1N Z905269870 [0,0,0,1,0,0|3,0,0]=4 288 B8R1.11 CO[C@H]1CCC[C@@H]1O Z1162417007 [0,0,0,1,0,0|2,0,0]=3 289 B8R1.11 CSC1CCCC1N Z1203642543 [0,0,0,1,0,0|3,0,0]=4 290 B8R1.11 C[C@@H]1CNC[C@H]1CO Z1955350046 [0,0,0,1,0,0|2,0,0]=3 291 B8R1.11 N#CC1CCCC1O Z409438998 [0,0,0,1,0,0|2,0,1]=4 292 B8R1.11 NCC1CCCC1N Z951173802 [0,0,0,1,0,0|3,0,0]=4 293 B8R1.11 NCC1CCCC1O Z409444212 [0,0,0,1,0,0|2,0,0]=3 294 B8R1.11 NC[C@@H]1COC[C@@H]1O Z2828229275 [0,0,0,1,0,0|1,0,0]=2 295 B8R1.11 NN[C@@H]1CCC[C@H]1O Z2350387396 [0,0,0,1,0,0|3,0,0]=4 296 B8R1.11 N[C@@H]1COC[C@@H]1CO Z2568674574 [0,0,0,1,0,0|2,0,0]=3 297 B8R1.11 N[C@H]1CCC[C@H]1CO Z1198220662 [0,0,0,1,0,0|2,0,0]=3 298 B8R1.11 OC[C@@H]1CNC[C@H]1F Z3069557183 [0,0,0,1,0,0|3,0,0]=4 299 B8R1.12 CO[C@@H]1CC[C@H]1CN Z4643457562 [0,0,0,1,0,0|3,0,0]=4 300 B8R1.13 O=C1CCN1CCO Z1897885187 [0,0,0,1,0,0|2,0,1]=4 301 B8R1.17 CCC[C@@H]1C[C@H]1CN Z3247491743 [0,0,0,1,0,0|2,0,0]=3 302 B8R1.22 CC1CCCCNC1 Z1723849152 [0,0,0,1,0,0|2,0,0]=3 303 B8R1.22 CC1CCCNCC1 Z425362298 [0,0,0,1,0,0|2,0,0]=3 304 B8R1.22 CC1CCNCCN1 Z3006266627 [0,0,0,1,0,0|2,0,0]=3 305 B8R1.22 CC1CCNCCO1 Z2855997854 [0,0,0,1,0,0|1,0,0]=2 306 B8R1.22 CC1CCNCCS1 Z1270499064 [0,0,0,1,0,0|1,1,0]=3 307 B8R1.22 CC1CCOCCN1 Z2940715295 [0,0,0,1,0,0|1,0,0]=2 308 B8R1.22 CC1CCSCCN1 Z1839475384 [0,0,0,1,0,0|1,1,0]=3 309 B8R1.22 CC1CNCCCN1 Z1203732447 [0,0,0,1,0,0|3,0,0]=4 310 B8R1.22 CC1CNCCCO1 Z425722880 [0,0,0,1,0,0|2,0,0]=3 311 B8R1.22 CC1CNCCOC1 Z1216819166 [0,0,0,1,0,0|2,0,0]=3 312 B8R1.22 CC1CNCCSC1 Z1270496770 [0,0,0,1,0,0|2,1,0]=4 313 B8R1.22 CC1COCCCN1 Z1216819161 [0,0,0,1,0,0|2,0,0]=3 314 B8R1.22 CC1CSCCCN1 Z2895198847 [0,0,0,1,0,0|2,1,0]=4 315 B8R1.22 CN1CCCNCC1 Z104479254 [0,0,0,1,0,0|3,0,0]=4 316 B8R1.22 FC1CCCNCC1 Z1255416656 [0,0,0,1,0,0|3,0,0]=4 317 B8R1.22 FC1CNCCOC1 Z4924614783 [0,0,0,1,0,0|2,0,0]=3 318 B8R1.22 NC1CCCCCC1 Z104477488 [0,0,0,1,0,0|2,0,0]=3 319 B8R1.22 NC1CCCSCC1 Z3102941972 [0,0,0,1,0,0|2,1,0]=4 320 B8R1.22 NC1COCCOC1 Z1463350443 [0,0,0,1,0,0|2,0,0]=3 321 B8R1.22 NC1CSCCSC1 Z4628238517 [0,0,0,1,0,0|2,1,0]=4 322 B8R1.22 O=C1CCCCCC1 Z104473100 [0,0,0,1,0,0|1,0,2]=4 323 B8R1.22 O=C1CCOCCN1 Z821098578 [0,0,0,1,0,0|2,0,1]=4 324 B8R1.22 O=C1COCCCN1 Z1203733065 [0,0,0,1,0,0|1,0,2]=4 325 B8R1.22 OC1CCCNCC1 Z1198309797 [0,0,0,1,0,0|2,0,0]=3 326 B8R1.22 OC1CNCCOC1 Z2234631219 [0,0,0,1,0,0|1,0,0]=2 327 B8R1.36 BrCCOCC1CO1 Z3038215664 [0,0,0,1,0,0|2,0,0]=3 328 B8R1.36 C#CCNCC1CC1 Z2143572410 [0,0,0,1,0,0|2,0,1]=4 329 B8R1.36 C=CCNCC1CC1 Z431957590 [0,0,0,1,0,0|2,0,1]=4 330 B8R1.36 CCCCNC1CC1 Z361993970 [0,0,0,1,0,0|2,0,0]=3 331 B8R1.36 CCNCCC1CC1 Z826524836 [0,0,0,1,0,0|3,0,0]=4 332 B8R1.36 CCOCCC1CO1 Z1495386137 [0,0,0,1,0,0|2,0,0]=3 333 B8R1.36 COCCNC1CC1 Z1708090045 [0,0,0,1,0,0|3,0,0]=4 334 B8R1.36 N#CCOCC1CC1 Z332379900 [0,0,0,1,0,0|1,0,1]=3 335 B8R1.36 NCCCOC1CC1 Z5593566245 [0,0,0,1,0,0|2,0,0]=3 336 B8R1.36 NCCNCC1CC1 Z2941505334 [0,0,0,1,0,0|2,0,0]=3 337 B8R1.36 NCCOCC1CC1 Z1266854848 [0,0,0,1,0,0|1,0,0]=2 338 B8R1.36 NCCSCC1CC1 Z431958616 [0,0,0,1,0,0|1,1,0]=3 339 B8R1.36 O=CCCCC1CC1 Z1511869605 [0,0,0,1,0,0|1,0,2]=4 340 B8R1.36 OCCCNC1CC1 Z138414456 [0,0,0,1,0,0|2,0,0]=3 341 B8R1.36 OCCNCC1CC1 Z335251956 [0,0,0,1,0,0|1,0,0]=2 342 B8R1.36 OCCOCC1CC1 Z854231442 [0,0,0,1,0,0|0,0,0]=1 343 B8R1.36 OCCOCC1CO1 Z332379868 [0,0,0,1,0,0|1,0,0]=2 344 B8R1.49 C1CCCNCCC1 Z104480232 [0,0,0,1,0,0|2,0,0]=3 345 B5R0.2 C/C=C/OCC Z281777810 [2,0,0,0,0,0|0,0,2]=4 346 B5R0.2 CC#CCCO Z1033337288 [2,0,0,0,0,0|0,0,2]=4 347 B5R0.2 CCCCC=O Z104472992 [2,0,0,0,0,0|0,0,2]=4 348 B5R0.2 CCCCCN Z104472246 [2,0,0,0,0,0|1,0,0]=3 349 B5R0.2 CCCNCC Z138446288 [2,0,0,0,0,0|1,0,0]=3 350 B5R0.2 CCNCCF Z1198305484 [2,0,0,0,0,0|2,0,0]=4 351 B5R0.2 CCNCCO Z1258992395 [2,0,0,0,0,0|1,0,0]=3 352 B5R0.2 CCNOCC Z223690220 [2,0,0,0,0,0|1,0,0]=3 353 B5R0.2 CCOCC#N Z295205412 [2,0,0,0,0,0|1,0,1]=4 354 B5R0.2 CCOCCN Z271005962 [2,0,0,0,0,0|1,0,0]=3 355 B5R0.2 CCOCCO Z104473122 [2,0,0,0,0,0|0,0,0]=2 356 B5R0.2 CCSCCN Z3061111063 [2,0,0,0,0,0|1,1,0]=4 357 B5R0.2 CNCCCO Z104756980 [2,0,0,0,0,0|1,0,0]=3 358 B5R0.2 CNCCOC Z1259162131 [2,0,0,0,0,0|1,0,0]=3 359 B5R0.2 CNCCSC Z1398461959 [2,0,0,0,0,0|1,1,0]=4 360 B5R0.2 COCCC#N Z277467992 [2,0,0,0,0,0|1,0,1]=4 361 B5R0.2 COCCCO Z431517702 [2,0,0,0,0,0|1,0,0]=3 362 B5R0.2 COCCOC Z104473014 [2,0,0,0,0,0|1,0,0]=3 363 B5R0.2 N#CCCCO Z385458622 [2,0,0,0,0,0|1,0,1]=4 364 B5R0.2 NCCCCF Z2177031126 [2,0,0,0,0,0|2,0,0]=4 365 B5R0.2 NCCCCN Z104472592 [2,0,0,0,0,0|2,0,0]=4 366 B7R0.3 C/C=C/CC(N)CO Z1718361642 [1,1,0,0,0,0|0,0,2]=4 367 B7R0.3 CC(CN)CCCO Z2234185702 [1,1,0,0,0,0|1,0,0]=3 368 B7R0.3 CCC(C)NCCO Z335251014 [1,1,0,0,0,0|1,0,0]=3 369 B7R0.3 CCC(N)CCOC Z818738108 [1,1,0,0,0,0|2,0,0]=4 370 B7R0.3 CCC(O)CCCN Z1259162031 [1,1,0,0,0,0|1,0,0]=3 371 B7R0.3 CCCCC(=O)CC Z406378226 [1,1,0,0,0,0|1,0,0]=3 372 B7R0.3 CCCCC(C)NC Z446022384 [1,1,0,0,0,0|2,0,0]=4 373 B7R0.3 CCCCC(N)CC Z3303777618 [1,1,0,0,0,0|1,0,0]=3 374 B7R0.3 CCCCC(N)CN Z756921038 [1,1,0,0,0,0|1,0,0]=3 375 B7R0.3 CCCNC(=O)CC Z33030426 [1,1,0,0,0,0|2,0,0]=4 376 B7R0.3 CCNCC(C)CC Z335456758 [1,1,0,0,0,0|1,0,0]=3 377 B7R0.3 CCNCC(O)CC Z600449680 [1,1,0,0,0,0|1,0,0]=3 378 B7R0.3 CCOCC(O)CN Z271097110 [1,1,0,0,0,0|1,0,0]=3 379 B7R0.3 CCOCC(O)CO Z1178483452 [1,1,0,0,0,0|1,0,0]=3 380 B7R0.3 CCSCC(C)NC Z1238713281 [1,1,0,0,0,0|1,1,0]=4 381 B7R0.3 CNC(=O)OCCO Z1198150357 [1,1,0,0,0,0|1,0,1]=4 382 B7R0.3 COCCC(C)CN Z879061310 [1,1,0,0,0,0|2,0,0]=4 383 B7R0.4 CC(=O)NCCCO Z353570744 [1,1,0,0,0,0|1,0,1]=4 384 B7R0.4 CC(C)C/C=C/CO Z1813145997 [1,1,0,0,0,0|0,0,2]=4 385 B7R0.4 CC(C)CCCCN Z1250132304 [1,1,0,0,0,0|1,0,0]=3 386 B7R0.4 CC(C)CNCCO Z3269089575 [1,1,0,0,0,0|1,0,0]=3 387 B7R0.4 CC(C)COCCN Z594038266 [1,1,0,0,0,0|1,0,0]=3 388 B7R0.4 CC(C)CSCCN Z1520645037 [1,1,0,0,0,0|1,1,0]=4 389 B7R0.4 CC(C)NCCCO Z56799938 [1,1,0,0,0,0|1,0,0]=3 390 B7R0.4 CC(C)OCCC#N Z317037874 [1,1,0,0,0,0|1,0,1]=4 391 B7R0.4 CC(C)OCCCN Z2677507870 [1,1,0,0,0,0|1,0,0]=3 392 B7R0.4 CC(C)OCCCO Z1080358780 [1,1,0,0,0,0|1,0,0]=3 393 B7R0.4 CC(N)CCCCN Z2186882580 [1,1,0,0,0,0|1,0,0]=3 394 B7R0.4 CC(N)CCCCO Z2234185667 [1,1,0,0,0,0|0,0,0]=2 395 B7R0.4 CCCCCC(=N)N Z3490473907 [1,1,0,0,0,0|1,0,1]=4 396 B7R0.4 CCCCCC(=O)O Z104503532 [1,1,0,0,0,0|0,0,1]=3 397 B7R0.4 CCCCCC(C)N Z104495176 [1,1,0,0,0,0|1,0,0]=3 398 B7R0.4 CCCCOC(=O)N Z104476286 [1,1,0,0,0,0|0,0,2]=4 399 B7R0.4 CCCNCC(=O)O Z744582718 [1,1,0,0,0,0|1,0,1]=4 400 B7R0.4 CCCNCC(C)C Z90518190 [1,1,0,0,0,0|2,0,0]=4 401 B7R0.4 CCCNCC(F)F Z1262250827 [1,1,0,0,0,0|2,0,0]=4 402 B7R0.4 CCCOCC(=O)O Z406677750 [1,1,0,0,0,0|0,0,1]=3 403 B7R0.4 CCCSCC(=O)O Z228425458 [1,1,0,0,0,0|0,1,1]=4 404 B7R0.4 CCNCCC(=O)O Z1869802098 [1,1,0,0,0,0|1,0,1]=4 405 B7R0.4 CCOCCC(=O)O Z316258938 [1,1,0,0,0,0|1,0,1]=4 406 B7R0.4 CCSCCC(=O)O Z197206046 [1,1,0,0,0,0|1,0,1]=4 407 B7R0.4 CN(C)CCCCN Z285162754 [1,1,0,0,0,0|2,0,0]=4 408 B7R0.4 CNCCCC(=O)O Z57043473 [1,1,0,0,0,0|1,0,1]=4 409 B7R0.4 COCCCC(=O)O Z316258912 [1,1,0,0,0,0|1,0,1]=4 410 B7R0.4 COCCCC(C)O Z854048762 [1,1,0,0,0,0|1,0,0]=3 411 B7R0.4 CSCCCC(=O)O Z54602911 [1,1,0,0,0,0|1,0,1]=4 412 B7R0.4 NC(=O)COCCO Z1198148880 [1,1,0,0,0,0|1,0,1]=4 413 B7R0.4 NCCCCC(=O)O Z271111992 [1,1,0,0,0,0|1,0,1]=4 414 B7R0.4 NCCCCC(F)F Z4580667156 [1,1,0,0,0,0|2,0,0]=4 415 B7R0.4 NCCOCC(=O)O Z1650039500 [1,1,0,0,0,0|1,0,1]=4 416 B7R0.4 O=C(O)CCCCBr Z104479696 [1,1,0,0,0,0|1,0,1]=4 417 B7R0.4 O=C(O)CCCCS Z808230828 [1,1,0,0,0,0|1,0,1]=4 418 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,1,0,0,0,0|1,0,1]=4 419 B7R0.4 O=C([O-])COCCO Z1744715804 [1,1,0,0,0,0|1,0,1]=4 420 B7R0.4 OCCNCC(F)F Z608352548 [1,1,0,0,0,0|2,0,0]=4 421 B7R0.4 OCCOCC(F)F Z1251415632 [1,1,0,0,0,0|1,0,0]=3 422 B7R0.7 CCCC(C)CCN Z2768767726 [1,1,0,0,0,0|1,0,0]=3 423 B7R0.7 CCCC(C)CNC Z3214687920 [1,1,0,0,0,0|2,0,0]=4 424 B7R0.7 CCCC(O)CCO Z1198158209 [1,1,0,0,0,0|0,0,0]=2 425 B7R0.7 CCNC(=O)CCO Z975909368 [1,1,0,0,0,0|1,0,1]=4 426 B7R0.7 CCNC(C)COC Z1245537976 [1,1,0,0,0,0|2,0,0]=4 427 B7R0.7 CCOC(=N)CSC Z4498865780 [1,1,0,0,0,0|1,0,1]=4 428 B7R0.7 CCOC(=O)CNC Z1262237263 [1,1,0,0,0,0|1,0,1]=4 429 B7R0.7 CCOC(=O)OCC Z104482516 [1,1,0,0,0,0|1,0,1]=4 430 B7R0.7 CCOC(C)OCC Z104476998 [1,1,0,0,0,0|1,0,0]=3 431 B7R0.7 COCC(N)CCO Z1238548168 [1,1,0,0,0,0|1,0,0]=3 432 B7R0.7 COCC(O)CCN Z1182310348 [1,1,0,0,0,0|2,0,0]=4 433 B7R0.7 NCCC(N)CCN Z4461966452 [1,1,0,0,0,0|2,0,0]=4 434 B7R0.7 NCCC(O)CCN Z4497194547 [1,1,0,0,0,0|2,0,0]=4 435 B9R0.4 CC(=O)CC(=O)OCCO Z1255385954 [0,2,0,0,0,0|0,0,2]=4 436 B9R0.5 CCCCCC(O)CCO Z1198158015 [0,2,0,0,0,0|1,0,0]=3 437 B9R0.5 CCCCNC(=O)CCC Z31763357 [0,2,0,0,0,0|2,0,0]=4 438 B9R0.5 CCOC(=O)COCCN Z2235644494 [0,2,0,0,0,0|1,0,1]=4 439 B9R0.5 COCCCN(C)CCN Z608346606 [0,2,0,0,0,0|2,0,0]=4 440 B9R0.18 CCCCC(N)CCCC Z5099120554 [0,2,0,0,0,0|2,0,0]=4 441 B9R0.18 COCCN(C)CCCN Z319975860 [0,2,0,0,0,0|2,0,0]=4 442 B9R0.18 O=C(CCCO)NCCO Z1203731574 [0,2,0,0,0,0|1,0,1]=4 443 B9R0.40 CCCCC(CN)CCC Z992309480 [0,2,0,0,0,0|2,0,0]=4 444 B9R0.40 CCCCN(CCC)N=O Z1198147488 [0,2,0,0,0,0|2,0,0]=4 445 B9R0.2 CC(=O)NCCOCCO Z353623894 [0,2,0,0,0,0|0,0,1]=3 446 B9R0.2 CC(C)CCNCCC#N Z53117023 [0,2,0,0,0,0|2,0,0]=4 447 B9R0.2 CC(C)CCOCCC#N Z317037852 [0,2,0,0,0,0|1,0,0]=3 448 B9R0.2 CC(C)NCCOCCN Z1323539861 [0,2,0,0,0,0|1,0,0]=3 449 B9R0.2 CC(C)NCCOCCO Z2017842782 [0,2,0,0,0,0|0,0,0]=2 450 B9R0.2 CCCCCCCC(=O)O Z104495238 [0,2,0,0,0,0|1,0,0]=3 451 B9R0.2 CCCCCOCC(=O)O Z409357548 [0,2,0,0,0,0|0,0,1]=3 452 B9R0.2 CCCCSCCC(=O)O Z149304844 [0,2,0,0,0,0|0,1,0]=3 453 B9R0.2 CCCNCCCN(C)C Z334950180 [0,2,0,0,0,0|2,0,0]=4 454 B9R0.2 CCNCCCCC(=O)O Z2893830564 [0,2,0,0,0,0|1,0,1]=4 455 B9R0.2 CCOCCOCC(=O)O Z316258972 [0,2,0,0,0,0|0,0,1]=3 456 B9R0.2 COCCNCCC(=O)O Z53116030 [0,2,0,0,0,0|2,0,0]=4 457 B9R0.2 COCCOCCC(=O)O Z316259200 [0,2,0,0,0,0|1,0,0]=3 458 B9R0.2 NC(=O)NCCOCCO Z198194948 [0,2,0,0,0,0|1,0,1]=4 459 B9R0.2 NCCCCCCC(=O)O Z56896351 [0,2,0,0,0,0|1,0,1]=4 460 B9R0.2 NCCOCCCC(=O)O Z5080450038 [0,2,0,0,0,0|1,0,1]=4 461 B9R0.2 O=C(O)CCNCCCO Z53116999 [0,2,0,0,0,0|2,0,0]=4 462 B9R0.45 CCCCCCCCCO Z104476100 [0,2,0,0,0,0|1,0,0]=3 463 B9R0.45 CCCCCCCNC=O Z1203732044 [0,2,0,0,0,0|1,0,1]=4 464 B9R0.45 CCCCCCNCCO Z137800948 [0,2,0,0,0,0|1,0,0]=3 465 B9R0.45 CCCCOCCCCO Z993012624 [0,2,0,0,0,0|0,0,0]=2 466 B9R0.45 CNCCOCCCOC Z839536458 [0,2,0,0,0,0|1,0,0]=3 467 B9R0.45 COCCCNCCOC Z235637138 [0,2,0,0,0,0|1,0,0]=3 468 B9R0.45 COCCOCCCCN Z285178626 [0,2,0,0,0,0|0,0,0]=2 469 B9R0.45 NCCCCCCCCN Z1203577927 [0,2,0,0,0,0|2,0,0]=4 470 B9R0.45 NCCCCCCCCO Z4745386600 [0,2,0,0,0,0|1,0,0]=3 471 B9R0.45 NCCSCCSCCN Z2740753669 [0,2,0,0,0,0|1,1,0]=4 472 B9R0.45 OCCCCCOCCO Z1897250794 [0,2,0,0,0,0|0,0,0]=2 473 B9R0.45 OCCOCCOCCF Z1618124684 [0,2,0,0,0,0|0,0,0]=2 474 B9R0.45 OCCOCCOCCO Z104476078 [0,2,0,0,0,0|0,0,0]=2 475 B9R0.45 OCCOCCSCCO Z756091788 [0,2,0,0,0,0|0,0,0]=2 476 B9R0.46 CCCCCCC(C)CO Z1238840360 [0,2,0,0,0,0|1,0,0]=3 477 B9R0.46 CCCCCCC(C)NN Z1691545122 [0,2,0,0,0,0|2,0,0]=4 478 B9R0.46 CCCCCCC(C)OC Z1416182763 [0,2,0,0,0,0|1,0,0]=3 479 B9R0.46 CCCCCCC(N)CC Z5869944669 [0,2,0,0,0,0|2,0,0]=4 480 B9R0.1 CC(C)CCCC(C)CN Z5875145536 [0,2,0,0,0,0|2,0,0]=4 481 B9R0.1 CC(C)COCC(O)CN Z285181512 [0,2,0,0,0,0|2,0,0]=4 482 B9R0.1 CN(C)CCOC(=O)CO Z3303138104 [0,2,0,0,0,0|1,0,1]=4 483 B9R0.20 CCCCCC(C)(C)CN Z995183114 [0,2,0,0,0,0|2,0,0]=4 484 B9R0.20 COCCNC(C)(C)CO Z267081364 [0,2,0,0,0,0|2,0,0]=4 485 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,2,0,0,0,0|1,0,1]=4 486 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [0,2,0,0,0,0|0,0,1]=3 487 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [0,2,0,0,0,0|0,1,1]=4 488 B9R0.47 COCCOC(C)C(=O)O Z316259198 [0,2,0,0,0,0|1,0,1]=4 489 B9R0.50 COC(COCCN)OC Z1203653693 [0,2,0,0,0,0|2,0,0]=4 490 B9R0.38 CC(C)(C)CCNCCO Z4874679298 [0,2,0,0,0,0|1,0,0]=3 491 B9R0.38 CC(C)(C)CNCCCO Z276423094 [0,2,0,0,0,0|2,0,0]=4 492 B9R0.38 CCCCNCC(F)(F)F Z1245537973 [0,2,0,0,0,0|2,0,0]=4 493 B9R0.38 COCCOCC(C)(C)O Z1255435424 [0,2,0,0,0,0|1,0,0]=3 494 B9R0.38 CS(=O)(=O)CCOCCN Z1262237291 [0,2,0,0,0,0|2,0,0]=4 495 B9R0.38 FC(F)(F)COCCCCl Z291231772 [0,2,0,0,0,0|2,0,0]=4 496 B9R0.38 NCCCOCC(F)(F)F Z432066840 [0,2,0,0,0,0|2,0,0]=4 497 B9R0.38 OCCCOCC(F)(F)F Z803130648 [0,2,0,0,0,0|2,0,0]=4 498 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [0,2,0,0,0,0|1,0,1]=4 499 B9R0.55 CC(C)CCNCC(C)C Z4894350750 [0,2,0,0,0,0|2,0,0]=4 500 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [0,2,0,0,0,0|0,0,1]=3 501 B9R0.55 CC(C)CCSCC(=O)O Z228589154 [0,2,0,0,0,0|0,1,1]=4 502 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [0,2,0,0,0,0|1,0,1]=4 503 B9R0.55 CC(O)CCCCN(C)C Z902046980 [0,2,0,0,0,0|2,0,0]=4 504 B7R1.1 BrCC1CCCO1 Z90660999 [1,0,0,1,0,0|1,0,0]=3 505 B7R1.1 CCC1CCCN1 Z281773802 [1,0,0,1,0,0|1,0,0]=3 506 B7R1.1 CCC1CCNC1 Z1407004100 [1,0,0,1,0,0|1,0,0]=3 507 B7R1.1 CNC1CCCC1 Z102766802 [1,0,0,1,0,0|2,0,0]=4 508 B7R1.1 CNC1CCOC1 Z1079260566 [1,0,0,1,0,0|1,0,0]=3 509 B7R1.1 CNC1CCSC1 Z102767000 [1,0,0,1,0,0|1,1,0]=4 510 B7R1.1 CO[C@@H]1CCNC1 Z1335657682 [1,0,0,1,0,0|2,0,0]=4 511 B7R1.1 CO[C@H]1CCNC1 Z1335657810 [1,0,0,1,0,0|2,0,0]=4 512 B7R1.1 ClCC1CCCO1 Z56893271 [1,0,0,1,0,0|1,0,0]=3 513 B7R1.1 FCC1CCCN1 Z2216711551 [1,0,0,1,0,0|2,0,0]=4 514 B7R1.1 N#CC1CCCC1 Z285131394 [1,0,0,1,0,0|1,0,1]=4 515 B7R1.1 N#CC1CCCO1 Z1079178976 [1,0,0,1,0,0|1,0,1]=4 516 B7R1.1 N#CC1CCOC1 Z605647006 [1,0,0,1,0,0|1,0,1]=4 517 B7R1.1 NCC1CCCC1 Z367452206 [1,0,0,1,0,0|1,0,0]=3 518 B7R1.1 NCC1CCCS1 Z1201677924 [1,0,0,1,0,0|1,1,0]=4 519 B7R1.1 NCC1COCO1 Z2298138033 [1,0,0,1,0,0|1,0,0]=3 520 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [1,0,0,1,0,0|2,0,0]=4 521 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [1,0,0,1,0,0|2,0,0]=4 522 B7R1.1 NNC1CCCC1 Z285139110 [1,0,0,1,0,0|2,0,0]=4 523 B7R1.1 O=CC1CCCC1 Z875036058 [1,0,0,1,0,0|0,0,2]=4 524 B7R1.1 O=CC1CCOC1 Z199056102 [1,0,0,1,0,0|1,0,1]=4 525 B7R1.1 OCC1CC=CC1 Z1201622687 [1,0,0,1,0,0|0,0,2]=4 526 B7R1.1 OCC1CCCC1 Z397587414 [1,0,0,1,0,0|0,0,0]=2 527 B7R1.1 OCC1CCCN1 Z825308062 [1,0,0,1,0,0|1,0,0]=3 528 B7R1.1 OCC1CCCS1 Z1201679857 [1,0,0,1,0,0|0,1,0]=3 529 B7R1.1 OCC1CCNC1 Z976722188 [1,0,0,1,0,0|1,0,0]=3 530 B7R1.1 OCC1CCOC1 Z335245192 [1,0,0,1,0,0|1,0,0]=3 531 B7R1.1 OCC1CCSC1 Z1201679855 [1,0,0,1,0,0|1,0,0]=3 532 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [1,0,0,1,0,0|1,0,0]=3 533 B7R1.3 CC1CNCCN1 Z104480242 [1,0,0,1,0,0|2,0,0]=4 534 B7R1.3 CC1CNCCO1 Z204013884 [1,0,0,1,0,0|1,0,0]=3 535 B7R1.3 CC1CNCCS1 Z334686272 [1,0,0,1,0,0|1,1,0]=4 536 B7R1.3 CC1COCCN1 Z336087928 [1,0,0,1,0,0|1,0,0]=3 537 B7R1.3 CC1CSCCN1 Z334686282 [1,0,0,1,0,0|1,1,0]=4 538 B7R1.3 CN1CCNCC1 Z57834041 [1,0,0,1,0,0|2,0,0]=4 539 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [1,0,0,1,0,0|2,0,0]=4 540 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [1,0,0,1,0,0|2,0,0]=4 541 B7R1.3 FC1CCNCC1 Z1741960061 [1,0,0,1,0,0|2,0,0]=4 542 B7R1.3 NC1CCCCC1 Z1945707495 [1,0,0,1,0,0|1,0,0]=3 543 B7R1.3 NC1CCCOC1 Z1013492300 [1,0,0,1,0,0|1,0,0]=3 544 B7R1.3 NC1CCCSC1 Z1029463244 [1,0,0,1,0,0|1,1,0]=4 545 B7R1.3 NC1CCOCC1 Z600428352 [1,0,0,1,0,0|1,0,0]=3 546 B7R1.3 NC1CCSCC1 Z992716928 [1,0,0,1,0,0|1,1,0]=4 547 B7R1.3 O=C1CCCCC1 Z104474256 [1,0,0,1,0,0|0,0,2]=4 548 B7R1.3 O=C1CCCCO1 Z432085120 [1,0,0,1,0,0|0,0,2]=4 549 B7R1.3 OC1CCCCC1 Z104473498 [1,0,0,1,0,0|0,0,0]=2 550 B7R1.3 OC1CCCSC1 Z993818972 [1,0,0,1,0,0|0,1,0]=3 551 B7R1.3 OC1CCNCC1 Z56347197 [1,0,0,1,0,0|1,0,0]=3 552 B7R1.3 OC1CCOCC1 Z1359429523 [1,0,0,1,0,0|1,0,0]=3 553 B7R1.3 OC1CCONC1 Z3325124334 [1,0,0,1,0,0|2,0,0]=4 554 B7R1.3 OC1CNCCO1 Z1428160315 [1,0,0,1,0,0|1,0,0]=3 555 B7R1.3 OC1COCOC1 Z431564488 [1,0,0,1,0,0|1,0,0]=3 556 B7R1.4 CC1CCCC1=O Z813018382 [1,0,0,1,0,0|0,0,2]=4 557 B7R1.4 CC1CCCC1N Z1219738990 [1,0,0,1,0,0|1,0,0]=3 558 B7R1.4 CC1CCNC1C Z1335657674 [1,0,0,1,0,0|1,0,0]=3 559 B7R1.4 CC1CNCC1C Z1281657986 [1,0,0,1,0,0|2,0,0]=4 560 B7R1.4 CC1SCCC1N Z2408712737 [1,0,0,1,0,0|1,1,0]=4 561 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [1,0,0,1,0,0|1,0,0]=3 562 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [1,0,0,1,0,0|1,0,0]=3 563 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [1,0,0,1,0,0|1,0,0]=3 564 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [1,0,0,1,0,0|1,0,0]=3 565 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [1,0,0,1,0,0|1,0,0]=3 566 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [1,0,0,1,0,0|1,0,0]=3 567 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [1,0,0,1,0,0|2,0,0]=4 568 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [1,0,0,1,0,0|1,0,0]=3 569 B7R1.4 N[C@@H]1COC[C@@H]1F Z2756848808 [1,0,0,1,0,0|2,0,0]=4 570 B7R1.4 N[C@@H]1COC[C@H]1F Z4185697479 [1,0,0,1,0,0|2,0,0]=4 571 B7R1.4 N[C@@H]1COC[C@H]1N Z2306914123 [1,0,0,1,0,0|2,0,0]=4 572 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [1,0,0,1,0,0|1,1,0]=4 573 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [1,0,0,1,0,0|1,0,0]=3 574 B7R1.4 OC1CCCC1O Z600452564 [1,0,0,1,0,0|1,0,0]=3 575 B7R1.4 OC1CNCC1O Z1147229592 [1,0,0,1,0,0|2,0,0]=4 576 B7R1.4 O[C@@H]1CNC[C@H]1F Z2307368320 [1,0,0,1,0,0|2,0,0]=4 577 B7R1.4 O[C@@H]1CNC[C@H]1O Z2309778206 [1,0,0,1,0,0|2,0,0]=4 578 B7R1.4 O[C@H]1CNC[C@H]1O Z1318268689 [1,0,0,1,0,0|2,0,0]=4 579 B7R1.5 CC1CC1CCN Z4888675966 [1,0,0,1,0,0|1,0,0]=3 580 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [1,0,0,1,0,0|1,0,0]=3 581 B7R1.5 CNCC1CC1C Z3752925195 [1,0,0,1,0,0|2,0,0]=4 582 B7R1.6 CCCC1CNC1 Z2310679174 [1,0,0,1,0,0|2,0,0]=4 583 B7R1.6 CCNC1CCC1 Z2144245483 [1,0,0,1,0,0|1,0,0]=3 584 B7R1.6 CNCC1CCC1 Z1692482598 [1,0,0,1,0,0|2,0,0]=4 585 B7R1.6 COCC1CCN1 Z2213893372 [1,0,0,1,0,0|2,0,0]=4 586 B7R1.6 N#CCC1CCC1 Z1198184443 [1,0,0,1,0,0|1,0,1]=4 587 B7R1.6 NCCC1CCC1 Z1405445718 [1,0,0,1,0,0|1,0,0]=3 588 B7R1.6 NCCN1CCC1 Z1203582961 [1,0,0,1,0,0|2,0,0]=4 589 B7R1.6 O=CCC1CCC1 Z1198184444 [1,0,0,1,0,0|0,0,2]=4 590 B7R1.7 C=CCCC1CO1 Z1255485443 [1,0,0,1,0,0|0,0,2]=4 591 B7R1.7 CCCCC1CO1 Z1020679810 [1,0,0,1,0,0|0,0,0]=2 592 B7R1.7 CCNCC1CC1 Z1692483163 [1,0,0,1,0,0|1,0,0]=3 593 B7R1.7 CCOCC1CO1 Z271128258 [1,0,0,1,0,0|1,0,0]=3 594 B7R1.7 CNCCC1CC1 Z1480642691 [1,0,0,1,0,0|2,0,0]=4 595 B7R1.7 COCCC1CO1 Z1495386141 [1,0,0,1,0,0|1,0,0]=3 596 B7R1.7 FCCNC1CC1 Z5629279666 [1,0,0,1,0,0|2,0,0]=4 597 B7R1.7 NCCCC1CC1 Z2465611603 [1,0,0,1,0,0|1,0,0]=3 598 B7R1.7 NCCNC1CC1 Z756920128 [1,0,0,1,0,0|2,0,0]=4 599 B7R1.7 NCCOC1CC1 Z2786559006 [1,0,0,1,0,0|1,0,0]=3 600 B7R1.7 O=CCCC1CC1 Z1233208002 [1,0,0,1,0,0|0,0,2]=4 601 B7R1.7 OCCNC1CC1 Z285050134 [1,0,0,1,0,0|1,0,0]=3 602 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [1,0,0,1,0,0|1,0,0]=3 603 B7R1.8 CO[C@@H]1CC[C@H]1N Z2311224799 [1,0,0,1,0,0|2,0,0]=4 604 B7R1.9 CCC1CC1C=O Z1513989944 [1,0,0,1,0,0|0,0,2]=4 605 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [1,0,0,1,0,0|0,0,2]=4 606 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [1,0,0,1,0,0|1,0,0]=3 607 B7R1.9 ClC[C@H]1O[C@H]1CCl Z1205660922 [1,0,0,1,0,0|2,0,0]=4 608 B7R1.24 C1CCCNCC1 Z57127566 [1,0,0,1,0,0|1,0,0]=3 609 B7R1.24 C1CCNOCC1 Z1824482753 [1,0,0,1,0,0|1,0,0]=3 610 B7R1.24 C1CNCCOC1 Z359510198 [1,0,0,1,0,0|1,0,0]=3 611 B7R1.24 C1CNCCSC1 Z1954803255 [1,0,0,1,0,0|1,1,0]=4 612 B9R1.2 CC1CC(CCO1)CO Z1268632086 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.2 CC1CNCC(O1)CO Z1509113623 [0,1,0,1,0,0|1,0,0]=3 614 B9R1.2 CC1COCC(O1)CN Z4877532429 [0,1,0,1,0,0|1,0,0]=3 615 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [0,1,0,1,0,0|1,0,0]=3 616 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [0,1,0,1,0,0|2,0,0]=4 617 B9R1.2 CCC1CCCC(C1)N Z1210580079 [0,1,0,1,0,0|2,0,0]=4 618 B9R1.2 CCC1CCCC(C1)O Z1192057272 [0,1,0,1,0,0|1,0,0]=3 619 B9R1.2 CCC1CNCC(C1)C Z5611307807 [0,1,0,1,0,0|2,0,0]=4 620 B9R1.2 CCC1CNCC(O1)C Z405744530 [0,1,0,1,0,0|1,0,0]=3 621 B9R1.2 CCN1CCCC(C1)O Z104478102 [0,1,0,1,0,0|2,0,0]=4 622 B9R1.2 CC[C@@H]1CNC[C@@H](N1)C Z2583036320 [0,1,0,1,0,0|2,0,0]=4 623 B9R1.2 CC[C@@H]1C[C@@H](CCO1)N Z2568676427 [0,1,0,1,0,0|1,0,0]=3 624 B9R1.2 CN1CCCC(C1)CO Z103740616 [0,1,0,1,0,0|2,0,0]=4 625 B9R1.2 CN1CCOC(C1)CN Z803081680 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.2 CN1CCOC(C1)CO Z1255388024 [0,1,0,1,0,0|1,0,0]=3 627 B9R1.2 CNC1CCCC(C1)O Z3064472236 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.2 COC1CCCC(C1)O Z104476334 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.2 C[C@@H]1CCC[C@@H](N1)CN Z3617085231 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.2 C[C@@H]1CCC[C@@H](N1)CO Z2738355370 [0,1,0,1,0,0|1,0,0]=3 631 B9R1.2 C[C@H]1C[C@H](CCN1)CO Z2102741286 [0,1,0,1,0,0|2,0,0]=4 632 B9R1.2 NCC1CCCC(C1)F Z2429425744 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.2 NC[C@@H]1C[C@@H](CCO1)O Z3200658572 [0,1,0,1,0,0|1,0,0]=3 634 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [0,1,0,1,0,0|1,0,1]=4 635 B9R1.7 CC1CCC(C1)CCN Z3271769493 [0,1,0,1,0,0|2,0,0]=4 636 B9R1.7 CC1CCN(C1)CCO Z785808944 [0,1,0,1,0,0|1,0,0]=3 637 B9R1.7 CCCC1CCC(C1)N Z1233210255 [0,1,0,1,0,0|2,0,0]=4 638 B9R1.7 CNC[C@@H]1C[C@H](CN1)O Z2242008674 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.7 COC[C@@H]1C[C@@H](CN1)O Z2298137791 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.8 C#CCC1CCCCN1 Z3036653487 [0,1,0,1,0,0|2,0,0]=4 641 B9R1.8 C#CCC1CNCCO1 Z4381345958 [0,1,0,1,0,0|1,0,1]=4 642 B9R1.8 C#CCC1COCCN1 Z3826375267 [0,1,0,1,0,0|1,0,1]=4 643 B9R1.8 C=CCC1CCCCN1 Z3976272491 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.8 CCCC1CCCCN1 Z1665033554 [0,1,0,1,0,0|2,0,0]=4 645 B9R1.8 CCCC1CCCNC1 Z1404660494 [0,1,0,1,0,0|2,0,0]=4 646 B9R1.8 CCCC1CCNCC1 Z963408928 [0,1,0,1,0,0|2,0,0]=4 647 B9R1.8 CCCC1CNCCN1 Z1203732978 [0,1,0,1,0,0|2,0,0]=4 648 B9R1.8 CCCC1CNCCO1 Z1203829779 [0,1,0,1,0,0|1,0,0]=3 649 B9R1.8 CCCC1COCCN1 Z4607148847 [0,1,0,1,0,0|1,0,0]=3 650 B9R1.8 CCNC1CCCCC1 Z235346963 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.8 CCNC1CCCOC1 Z2432621390 [0,1,0,1,0,0|1,0,0]=3 652 B9R1.8 CCOC1CCCNC1 Z334959362 [0,1,0,1,0,0|2,0,0]=4 653 B9R1.8 CNCC1CCCCC1 Z102767074 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.8 COCC1CCCCN1 Z2238934630 [0,1,0,1,0,0|1,0,0]=3 655 B9R1.8 COCC1CCCNC1 Z317037142 [0,1,0,1,0,0|2,0,0]=4 656 B9R1.8 COCC1CCNCC1 Z1267773745 [0,1,0,1,0,0|2,0,0]=4 657 B9R1.8 COCC1CNCCO1 Z1171972187 [0,1,0,1,0,0|1,0,0]=3 658 B9R1.8 ClCCN1CCCCC1 Z235354563 [0,1,0,1,0,0|2,0,0]=4 659 B9R1.8 ClCCN1CCOCC1 Z104490276 [0,1,0,1,0,0|2,0,0]=4 660 B9R1.8 FCCN1CCNCC1 Z1203734738 [0,1,0,1,0,0|2,0,0]=4 661 B9R1.8 N#CCC1CCCCC1 Z295382924 [0,1,0,1,0,0|2,0,0]=4 662 B9R1.8 NCCC1CCCCC1 Z367451182 [0,1,0,1,0,0|2,0,0]=4 663 B9R1.8 NCCC1CCCCO1 Z432420620 [0,1,0,1,0,0|1,0,0]=3 664 B9R1.8 NCCC1CCNCC1 Z756921054 [0,1,0,1,0,0|2,0,0]=4 665 B9R1.8 NCCC1CCOCC1 Z851015130 [0,1,0,1,0,0|2,0,0]=4 666 B9R1.8 NCCC1CCSCC1 Z2768149804 [0,1,0,1,0,0|2,0,0]=4 667 B9R1.8 NCCN1CCNCC1 Z57127897 [0,1,0,1,0,0|2,0,0]=4 668 B9R1.8 NCCN1CCOCC1 Z104477830 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.8 O=CCC1CCCCC1 Z993017728 [0,1,0,1,0,0|1,0,1]=4 670 B9R1.8 O=CCC1CCCCO1 Z1511748073 [0,1,0,1,0,0|0,0,1]=3 671 B9R1.8 O=CCC1CCCOC1 Z1198309923 [0,1,0,1,0,0|1,0,1]=4 672 B9R1.8 OCCC1CCCCC1 Z397587116 [0,1,0,1,0,0|1,0,0]=3 673 B9R1.8 OCCC1CCCCO1 Z1198184633 [0,1,0,1,0,0|0,0,0]=2 674 B9R1.8 OCCC1CCCNC1 Z1263820461 [0,1,0,1,0,0|1,0,0]=3 675 B9R1.8 OCCC1CCCOC1 Z1198309922 [0,1,0,1,0,0|1,0,0]=3 676 B9R1.8 OCCC1CCNCC1 Z336087886 [0,1,0,1,0,0|1,0,0]=3 677 B9R1.8 OCCC1CCOCC1 Z1178491138 [0,1,0,1,0,0|1,0,0]=3 678 B9R1.8 OCCC1CSCCN1 Z1375026565 [0,1,0,1,0,0|1,1,0]=4 679 B9R1.8 OCCN1CCCCC1 Z104479032 [0,1,0,1,0,0|1,0,0]=3 680 B9R1.8 OCCN1CCNCC1 Z104477190 [0,1,0,1,0,0|1,0,0]=3 681 B9R1.8 OCCN1CCOCC1 Z104474266 [0,1,0,1,0,0|1,0,0]=3 682 B9R1.8 OCCN1CCSCC1 Z425793720 [0,1,0,1,0,0|1,0,0]=3 683 B9R1.8 SCCN1CCOCC1 Z220616938 [0,1,0,1,0,0|1,1,0]=4 684 B9R1.9 CC1CC(C1)CCCN Z5102110275 [0,1,0,1,0,0|2,0,0]=4 685 B9R1.12 CCCCC1CCCN1 Z3244909133 [0,1,0,1,0,0|2,0,0]=4 686 B9R1.12 CCCNC1CCCC1 Z1076533152 [0,1,0,1,0,0|2,0,0]=4 687 B9R1.12 CCNCC1CCCO1 Z810541800 [0,1,0,1,0,0|1,0,0]=3 688 B9R1.12 CCNCC1CCOC1 Z316387370 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.12 CNCCC1CCCO1 Z1801307836 [0,1,0,1,0,0|1,0,0]=3 690 B9R1.12 CNCCN1CCCC1 Z138105840 [0,1,0,1,0,0|2,0,0]=4 691 B9R1.12 COCCC1CCNC1 Z1201627339 [0,1,0,1,0,0|2,0,0]=4 692 B9R1.12 FCCNC1CCOC1 Z5569834625 [0,1,0,1,0,0|2,0,0]=4 693 B9R1.12 N#CCOC1CCCC1 Z295205342 [0,1,0,1,0,0|1,0,1]=4 694 B9R1.12 NCCCC1CCCC1 Z744843730 [0,1,0,1,0,0|2,0,0]=4 695 B9R1.12 NCCCC1CCOC1 Z1198224817 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.12 NCCNC1CCCC1 Z4158574763 [0,1,0,1,0,0|2,0,0]=4 697 B9R1.12 NCCOC1CCCC1 Z594038064 [0,1,0,1,0,0|1,0,0]=3 698 B9R1.12 NCCSC1CCCC1 Z1263714075 [0,1,0,1,0,0|1,1,0]=4 699 B9R1.12 O=CCCC1CCCC1 Z993017672 [0,1,0,1,0,0|1,0,1]=4 700 B9R1.12 O=CCCC1CCCO1 Z993017666 [0,1,0,1,0,0|1,0,1]=4 701 B9R1.12 O=CCCC1OCCO1 Z1198155855 [0,1,0,1,0,0|0,0,1]=3 702 B9R1.12 OCCCC1CCCN1 Z979444798 [0,1,0,1,0,0|1,0,0]=3 703 B9R1.12 OCCCC1CCCO1 Z993012576 [0,1,0,1,0,0|1,0,0]=3 704 B9R1.12 OCCNC1CCCC1 Z1162448840 [0,1,0,1,0,0|1,0,0]=3 705 B9R1.12 OCCOC1CCCC1 Z362785380 [0,1,0,1,0,0|0,0,0]=2 706 B9R1.15 C#CC1CCCCC1O Z1725997828 [0,1,0,1,0,0|1,0,1]=4 707 B9R1.15 CC1CC=CCC1CO Z104479344 [0,1,0,1,0,0|1,0,1]=4 708 B9R1.15 CC1CCCCC1C#N Z415654838 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.15 CC1CCCCC1C=O Z1268606365 [0,1,0,1,0,0|1,0,1]=4 710 B9R1.15 CC1CCCCC1CN Z415655074 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.15 CC1COCCC1C#N Z1638513443 [0,1,0,1,0,0|1,0,1]=4 712 B9R1.15 CC1COCCC1CN Z1255367314 [0,1,0,1,0,0|1,0,0]=3 713 B9R1.15 CCC1CCCCC1N Z368844574 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.15 CCC1CCCCC1O Z104476198 [0,1,0,1,0,0|1,0,0]=3 715 B9R1.15 CCN1CCNCC1C Z995014084 [0,1,0,1,0,0|2,0,0]=4 716 B9R1.15 CN1CCNCC1CO Z2738358229 [0,1,0,1,0,0|2,0,0]=4 717 B9R1.15 CNC1CCCCC1C Z324553050 [0,1,0,1,0,0|2,0,0]=4 718 B9R1.15 CNC1CCOCC1C Z4641453836 [0,1,0,1,0,0|1,0,0]=3 719 B9R1.15 COC1CCCCC1N Z285187676 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.15 COC1CCCCC1O Z425453594 [0,1,0,1,0,0|1,0,0]=3 721 B9R1.15 COC1CCNCC1C Z2235681426 [0,1,0,1,0,0|2,0,0]=4 722 B9R1.15 COC1CNCCC1C Z1778561134 [0,1,0,1,0,0|1,0,0]=3 723 B9R1.15 CO[C@@H]1CCCC[C@@H]1N Z4658510162 [0,1,0,1,0,0|2,0,0]=4 724 B9R1.15 CO[C@@H]1CCCC[C@H]1O Z3344357599 [0,1,0,1,0,0|1,0,0]=3 725 B9R1.15 CO[C@@H]1CCCN[C@@H]1C Z3379439443 [0,1,0,1,0,0|2,0,0]=4 726 B9R1.15 CO[C@@H]1CCOC[C@H]1N Z2309916425 [0,1,0,1,0,0|1,0,0]=3 727 B9R1.15 CS[C@H]1CCCC[C@@H]1N Z2182116696 [0,1,0,1,0,0|2,0,0]=4 728 B9R1.15 C[C@@H]1CCCN[C@@H]1CO Z2737203189 [0,1,0,1,0,0|1,0,0]=3 729 B9R1.15 C[C@@H]1NCCC[C@@H]1CO Z5613103409 [0,1,0,1,0,0|1,0,0]=3 730 B9R1.15 NCC1CCCCC1O Z409444222 [0,1,0,1,0,0|1,0,0]=3 731 B9R1.15 NC[C@@H]1CCCC[C@@H]1O Z2306746656 [0,1,0,1,0,0|1,0,0]=3 732 B9R1.15 O=C1NCCCC1CO Z1203732010 [0,1,0,1,0,0|2,0,0]=4 733 B9R1.15 O=C1NCCOC1CO Z2239006921 [0,1,0,1,0,0|1,0,1]=4 734 B9R1.15 OCC1CCCCC1O Z1198163949 [0,1,0,1,0,0|1,0,0]=3 735 B9R1.22 CO[C@@H]1C[C@@H](C[C@@H]1O)N Z4130649749 [0,1,0,1,0,0|2,0,0]=4 736 B9R1.33 CCN[C@@H]1CCC[C@H]1O Z1796000613 [0,1,0,1,0,0|1,0,0]=3 737 B9R1.33 CCSC1CCCC1N Z1238713136 [0,1,0,1,0,0|2,0,0]=4 738 B9R1.33 CN1CCCC1CCN Z1255415415 [0,1,0,1,0,0|2,0,0]=4 739 B9R1.33 CN1CCCC1CCO Z607750234 [0,1,0,1,0,0|1,0,0]=3 740 B9R1.33 CNCC1CCCC1O Z1268477814 [0,1,0,1,0,0|1,0,0]=3 741 B9R1.33 N#CC[C@@H]1CNC[C@H]1O Z3214880607 [0,1,0,1,0,0|1,0,1]=4 742 B9R1.33 NC1CCCC1CCO Z1509036975 [0,1,0,1,0,0|1,0,0]=3 743 B9R1.33 NCC[C@@H]1CCC[C@@H]1O Z4317048669 [0,1,0,1,0,0|1,0,0]=3 744 B9R1.33 NCC[C@@H]1CCC[C@H]1O Z3272980752 [0,1,0,1,0,0|1,0,0]=3 745 B9R1.33 O=C1CCCN1CCO Z104478410 [0,1,0,1,0,0|1,0,1]=4 746 B9R1.48 CN1CCNCC(C1)O Z2310716518 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.48 C[C@@H]1CCNC[C@@H](C1)C Z2865591915 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.49 CC1CCCC(NC1)C Z1203830904 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.49 CC1CCS(=O)CCN1 Z1868316872 [0,1,0,1,0,0|1,1,0]=4 750 B9R1.49 C[C@@H]1CCO[C@@H](CN1)C Z3025866678 [0,1,0,1,0,0|1,0,0]=3 751 B9R1.49 O=C1CCCC(CN1)O Z1255401193 [0,1,0,1,0,0|1,0,1]=4 752 B9R1.50 CC1CCCCCCN1 Z3487835965 [0,1,0,1,0,0|2,0,0]=4 753 B9R1.50 CN1CCCNCCC1 Z2310677612 [0,1,0,1,0,0|2,0,0]=4 754 B9R1.50 NC1CCCCCCC1 Z104478188 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.50 O=C1CCCCCCC1 Z104474712 [0,1,0,1,0,0|1,0,1]=4 756 B9R1.50 O=C1CCCCNCC1 Z5186715583 [0,1,0,1,0,0|1,0,1]=4 757 B9R1.50 OC1CCCCCCC1 Z104472780 [0,1,0,1,0,0|1,0,0]=3 758 B9R1.69 CC1CC(CCC1O)N Z1203641685 [0,1,0,1,0,0|1,0,0]=3 759 B9R1.69 CC1CCC(C(C1)C)N Z854046330 [0,1,0,1,0,0|2,0,0]=4 760 B9R1.69 CC1CCC(C(C1)C)O Z854051758 [0,1,0,1,0,0|1,0,0]=3 761 B9R1.69 CC1CCC(C(C1)O)C Z1201617039 [0,1,0,1,0,0|1,0,0]=3 762 B9R1.69 CC1CCC(CC1C)O Z1201617040 [0,1,0,1,0,0|2,0,0]=4 763 B9R1.69 NC1CC[C@H]([C@H](C1)O)O Z2936002015 [0,1,0,1,0,0|2,0,0]=4 764 B9R1.73 CCCC(N)C1CCC1 Z1198737987 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.73 NC(CCO)C1CCC1 Z3287661201 [0,1,0,1,0,0|1,0,0]=3 766 B9R1.100 NCCOC(=O)C1CC1 Z1992316419 [0,1,0,1,0,0|1,0,1]=4 767 B9R1.117 CC1(CCC1)OCCN Z1511513664 [0,1,0,1,0,0|1,0,0]=3 768 B9R1.134 CC1(OCCO1)CC=O Z1255425684 [0,1,0,1,0,0|1,0,1]=4 769 B9R1.134 NCCC1(CCCC1)O Z2517097572 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.4 CNC[C@@H]1CC[C@H]1OC Z5183373543 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.5 CC1CCNCCS1=O Z1860991527 [0,1,0,1,0,0|1,0,1]=4 772 B9R1.5 N[C@@H]1CCCCC[C@H]1O Z1198180675 [0,1,0,1,0,0|1,0,0]=3 773 B9R1.5 N[C@H]1CCCCC[C@H]1N Z2895202592 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.5 O[C@H]1CCNCC[C@H]1O Z3681811836 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.14 CO[C@@H]1CNC[C@H]1OC Z2417577397 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.14 CO[C@H]1CNC[C@H]1OC Z2472857331 [0,1,0,1,0,0|2,0,0]=4 777 B9R1.14 NC[C@@H]1CCC[C@H]1CF Z5489491630 [0,1,0,1,0,0|2,0,0]=4 778 B9R1.16 CC1CC1CCCC=O Z3271342479 [0,1,0,1,0,0|1,0,1]=4 779 B9R1.17 COCCOC1CNC1 Z1318513962 [0,1,0,1,0,0|1,0,0]=3 780 B9R1.17 NCCCCC1CCC1 Z5398432947 [0,1,0,1,0,0|2,0,0]=4 781 B9R1.17 NCCOCC1CCC1 Z1263592136 [0,1,0,1,0,0|1,0,0]=3 782 B9R1.17 OCCCNC1CCC1 Z859816160 [0,1,0,1,0,0|1,0,0]=3 783 B9R1.17 OCCOCC1CCC1 Z2256067074 [0,1,0,1,0,0|0,0,0]=2 784 B9R1.83 C=CCCCCC1CO1 Z1255356056 [0,1,0,1,0,0|1,0,1]=4 785 B9R1.83 CCCCCCC1CO1 Z1020680070 [0,1,0,1,0,0|1,0,0]=3 786 B9R1.83 CCCCOCC1CO1 Z409191626 [0,1,0,1,0,0|0,0,0]=2 787 B9R1.83 CNCCOCC1CC1 Z839536900 [0,1,0,1,0,0|1,0,0]=3 788 B9R1.83 COCCOCC1CO1 Z285181540 [0,1,0,1,0,0|1,0,0]=3 789 B9R1.83 N#CCCNCC1CC1 Z381045322 [0,1,0,1,0,0|2,0,0]=4 790 B9R1.83 NCCOCCC1CC1 Z3629170058 [0,1,0,1,0,0|1,0,0]=3 791 B9R1.83 O=CCCCCC1CC1 Z3002702510 [0,1,0,1,0,0|1,0,1]=4 792 B9R1.83 O=CCCOCC1CC1 Z1080366652 [0,1,0,1,0,0|0,0,1]=3 793 B9R1.83 OCCCCNC1CC1 Z839096664 [0,1,0,1,0,0|1,0,0]=3 794 B9R1.83 OCCCOCC1CO1 Z4201876111 [0,1,0,1,0,0|1,0,0]=3 795 B9R1.89 C#CC1CCCCNC1 Z2768767729 [0,1,0,1,0,0|2,0,0]=4 796 B9R1.89 CCC1CCCCCN1 Z992736884 [0,1,0,1,0,0|2,0,0]=4 797 B9R1.89 CCC1CCCNCC1 Z425362302 [0,1,0,1,0,0|2,0,0]=4 798 B9R1.89 CCC1CCNCCO1 Z3275232542 [0,1,0,1,0,0|1,0,0]=3 799 B9R1.89 CCC1CCOCCN1 Z3275231194 [0,1,0,1,0,0|1,0,0]=3 800 B9R1.89 CCN1CCCNCC1 Z239604554 [0,1,0,1,0,0|2,0,0]=4 801 B9R1.89 CNC1CCCCCC1 Z102766800 [0,1,0,1,0,0|2,0,0]=4 802 B9R1.89 CNC1CCCNCC1 Z1171155633 [0,1,0,1,0,0|2,0,0]=4 803 B9R1.89 CNC1CCCOCC1 Z5794487564 [0,1,0,1,0,0|1,0,0]=3 804 B9R1.89 COC1CCCNCC1 Z2492774475 [0,1,0,1,0,0|2,0,0]=4 805 B9R1.89 CSC1CCCCNC1 Z1462950888 [0,1,0,1,0,0|1,1,0]=4 806 B9R1.89 FCC1CNCCCO1 Z2295370275 [0,1,0,1,0,0|1,0,0]=3 807 B9R1.89 NCC1C=CCCCC1 Z3443270742 [0,1,0,1,0,0|2,0,0]=4 808 B9R1.89 NCC1CCCCCC1 Z415655096 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.89 NCC1CCCOCC1 Z4438964521 [0,1,0,1,0,0|1,0,0]=3 810 B9R1.89 NCC1CCCSCC1 Z3037487975 [0,1,0,1,0,0|1,1,0]=4 811 B9R1.89 NCC1COCCOC1 Z2310678775 [0,1,0,1,0,0|1,0,0]=3 812 B9R1.89 O=CC1CCCCCC1 Z1079442748 [0,1,0,1,0,0|1,0,1]=4 813 B9R1.89 O=CC1CCCOCC1 Z1268606450 [0,1,0,1,0,0|1,0,1]=4 814 B9R1.89 O=CC1COCCOC1 Z1813175634 [0,1,0,1,0,0|1,0,1]=4 815 B9R1.89 OCC1CCCCCC1 Z992928672 [0,1,0,1,0,0|1,0,0]=3 816 B9R1.89 OCC1CCCCNC1 Z1318147457 [0,1,0,1,0,0|1,0,0]=3 817 B9R1.103 C1CCCCNCCC1 Z1203730912 [0,1,0,1,0,0|2,0,0]=4 818 B9R1.103 C1COCCOCCN1 Z3477416729 [0,1,0,1,0,0|0,0,0]=2 819 B9R1.1 CC1CCC(NC1)CN Z3492445324 [0,1,0,1,0,0|2,0,0]=4 820 B9R1.1 CC1COC(CN1)CO Z1430538108 [0,1,0,1,0,0|1,0,0]=3 821 B9R1.1 CC1COC(CO1)CN Z4984374432 [0,1,0,1,0,0|1,0,0]=3 822 B9R1.1 CCC1COC(CN1)C Z56968897 [0,1,0,1,0,0|1,0,0]=3 823 B9R1.1 CC[C@@H]1CC[C@H](NC1)C Z3337244239 [0,1,0,1,0,0|2,0,0]=4 824 B9R1.1 CC[C@H]1CC[C@@H](CC1)N Z2205958759 [0,1,0,1,0,0|2,0,0]=4 825 B9R1.1 CN1CCC(CC1)CO Z594219182 [0,1,0,1,0,0|2,0,0]=4 826 B9R1.1 C[C@@H]1CC[C@H](OC1)CN Z3770977955 [0,1,0,1,0,0|1,0,0]=3 827 B9R1.1 C[C@@H]1CO[C@H](CO1)CN Z4918953814 [0,1,0,1,0,0|1,0,0]=3 828 B9R1.1 N[C@H]1CC[C@@H](CC1)CF Z3035094917 [0,1,0,1,0,0|2,0,0]=4 829 B9R1.1 N[C@H]1CC[C@@H](CC1)CO Z1203582309 [0,1,0,1,0,0|1,0,0]=3 830 B9R1.1 N[C@H]1CC[C@H](CC1)CO Z1203579954 [0,1,0,1,0,0|1,0,0]=3 831 B9R1.1 OCC1CCC(CC1)O Z1255451065 [0,1,0,1,0,0|1,0,0]=3 832 B9R1.3 CC1CCCC(C1C)N Z104478930 [0,1,0,1,0,0|2,0,0]=4 833 B9R1.3 CC1CCCC(C1N)C Z359419654 [0,1,0,1,0,0|2,0,0]=4 834 B9R1.3 CC1CCCC(C1N)O Z1509035391 [0,1,0,1,0,0|2,0,0]=4 835 B9R1.3 CC1CCCC(C1O)C Z335244846 [0,1,0,1,0,0|1,0,0]=3 836 B9R1.3 CC1CNCC(C1O)C Z1509063911 [0,1,0,1,0,0|2,0,0]=4 837 B9R1.3 N[C@@H]1CCC[C@H]([C@H]1O)O Z4497061557 [0,1,0,1,0,0|2,0,0]=4 838 B9R1.3 O[C@H]1CNC[C@H]([C@H]1O)O Z1203732389 [0,1,0,1,0,0|2,0,0]=4 839 B9R1.11 CC(CN)N1CCCC1 Z228571104 [0,1,0,1,0,0|2,0,0]=4 840 B9R1.11 CCC(C)C1CCCN1 Z3752630998 [0,1,0,1,0,0|2,0,0]=4 841 B9R1.11 CCC(N)C1CCCC1 Z513797602 [0,1,0,1,0,0|2,0,0]=4 842 B9R1.11 CCC(N)C1CCCO1 Z1259145227 [0,1,0,1,0,0|1,0,0]=3 843 B9R1.11 C[C@@H](CN)N1CCCC1 Z4663210446 [0,1,0,1,0,0|2,0,0]=4 844 B9R1.11 NC(CO)C1CCOC1 Z1446874474 [0,1,0,1,0,0|2,0,0]=4 845 B9R1.11 O=C(CO)N1CCCC1 Z431952022 [0,1,0,1,0,0|1,0,1]=4 846 B9R1.21 OC[C@@H]1CC[C@H](N1)CO Z2309988693 [0,1,0,1,0,0|2,0,0]=4 847 B9R1.79 NC(CO)CC1CCC1 Z1263593952 [0,1,0,1,0,0|1,0,0]=3 848 B9R1.79 NCC(O)CC1CCC1 Z5787667532 [0,1,0,1,0,0|2,0,0]=4 849 B9R1.79 O=C(CO)OC1CCC1 Z1962692460 [0,1,0,1,0,0|0,0,1]=3 850 B9R1.80 NCC(=O)OCC1CC1 Z1262327490 [0,1,0,1,0,0|1,0,1]=4 851 B9R1.118 CC1(CCCCC1)CN Z1413780464 [0,1,0,1,0,0|2,0,0]=4 852 B9R1.118 CC1(CCCCC1)CO Z1201620047 [0,1,0,1,0,0|1,0,0]=3 853 B9R1.118 CC1(CCCCN1)CO Z1255397122 [0,1,0,1,0,0|1,0,0]=3 854 B9R1.118 CC1(CCCCO1)C=O Z2178581866 [0,1,0,1,0,0|0,0,2]=4 855 B9R1.118 CC1(CCCNC1)CO Z1198184762 [0,1,0,1,0,0|2,0,0]=4 856 B9R1.118 CC1(CCNCC1)CO Z1683068092 [0,1,0,1,0,0|2,0,0]=4 857 B9R1.118 CC1(CCOCC1)CO Z1255447679 [0,1,0,1,0,0|2,0,0]=4 858 B9R1.118 CC1(COCCO1)C=O Z3827418417 [0,1,0,1,0,0|1,0,1]=4 859 B9R1.118 CCC1(CCCCC1)N Z2235790648 [0,1,0,1,0,0|2,0,0]=4 860 B9R1.118 CCC1(CCCCC1)O Z449370576 [0,1,0,1,0,0|2,0,0]=4 861 B9R1.118 CCC1(CCCNC1)C Z1198369368 [0,1,0,1,0,0|2,0,0]=4 862 B9R1.118 CCC1(CNCCO1)C Z1020801330 [0,1,0,1,0,0|1,0,0]=3 863 B9R1.118 CCC1(COCCN1)C Z1235974651 [0,1,0,1,0,0|1,0,0]=3 864 B9R1.118 NC1(CCCCC1)CO Z2417556977 [0,1,0,1,0,0|1,0,0]=3 865 B9R1.118 NC1(CCOCC1)CO Z234898275 [0,1,0,1,0,0|2,0,0]=4 866 B9R1.118 NC1(CCSCC1)CO Z2256111066 [0,1,0,1,0,0|2,0,0]=4 867 B9R1.118 NCC1(CCCCC1)Br Z1982417702 [0,1,0,1,0,0|2,0,0]=4 868 B9R1.118 NCC1(CCCCC1)N Z235344715 [0,1,0,1,0,0|2,0,0]=4 869 B9R1.118 NCC1(CCCCC1)O Z363991148 [0,1,0,1,0,0|2,0,0]=4 870 B9R1.118 OCC1(CCCNC1)O Z2284393168 [0,1,0,1,0,0|2,0,0]=4 871 B9R1.118 OCC1(CCNCC1)F Z2941371989 [0,1,0,1,0,0|2,0,0]=4 872 B9R1.118 OCC1(CCNCC1)O Z2522871031 [0,1,0,1,0,0|2,0,0]=4 873 B9R1.118 OCC1(CCOCC1)O Z1537124723 [0,1,0,1,0,0|2,0,0]=4 874 B9R1.132 C[C@@H]1[C@@H](CCN1C)CO Z2442061117 [0,1,0,1,0,0|2,0,0]=4 875 B9R1.132 OC[C@@H]1NC[C@H]([C@H]1O)O Z4452704152 [0,1,0,1,0,0|2,0,0]=4 876 B9R1.202 CC1(CCCC1N)CO Z1255430902 [0,1,0,1,0,0|2,0,0]=4 877 B9R1.202 CN1CCCC1(C)CO Z4918241999 [0,1,0,1,0,0|2,0,0]=4 878 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,1,0,1,0,0|1,0,1]=4 879 B9R1.6 CC(C)C1CCCCN1 Z1269638432 [0,1,0,1,0,0|2,0,0]=4 880 B9R1.6 CC(C)C1CCCNC1 Z1201627016 [0,1,0,1,0,0|2,0,0]=4 881 B9R1.6 CC(C)C1CNCCN1 Z1198172518 [0,1,0,1,0,0|2,0,0]=4 882 B9R1.6 CC(C)C1CNCCO1 Z1203831893 [0,1,0,1,0,0|1,0,0]=3 883 B9R1.6 CC(C)C1CNCCS1 Z1270133000 [0,1,0,1,0,0|1,1,0]=4 884 B9R1.6 CC(C)[C@@H]1COCCN1 Z3185478350 [0,1,0,1,0,0|1,0,0]=3 885 B9R1.6 CC(N)C1CCCCC1 Z446020926 [0,1,0,1,0,0|2,0,0]=4 886 B9R1.6 CC(N)C1COCCO1 Z3482741168 [0,1,0,1,0,0|0,0,0]=2 887 B9R1.6 CC(O)C1CCCCC1 Z445987098 [0,1,0,1,0,0|1,0,0]=3 888 B9R1.6 CC(O)C1CCCCN1 Z995042172 [0,1,0,1,0,0|1,0,0]=3 889 B9R1.6 CC(O)C1CCCNC1 Z431526982 [0,1,0,1,0,0|2,0,0]=4 890 B9R1.6 CC(O)C1CCNCC1 Z995042164 [0,1,0,1,0,0|2,0,0]=4 891 B9R1.6 CC(O)C1CCOCC1 Z1171215247 [0,1,0,1,0,0|2,0,0]=4 892 B9R1.6 CC(O)C1CNCCO1 Z1203734763 [0,1,0,1,0,0|1,0,0]=3 893 B9R1.6 C[C@@H](O)C1CCCCC1 Z959151676 [0,1,0,1,0,0|1,0,0]=3 894 B9R1.6 FC(F)C1CCCCN1 Z1222423573 [0,1,0,1,0,0|2,0,0]=4 895 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,1,0,1,0,0|1,0,1]=4 896 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,1,0,1,0,0|1,0,1]=4 897 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,1,0,1,0,0|0,0,1]=3 898 B9R1.6 O=C(O)C1COCCO1 Z362763682 [0,1,0,1,0,0|1,0,1]=4 899 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,1,0,1,0,0|1,0,1]=4 900 B9R1.6 OB(O)C1CCCCC1 Z56789446 [0,1,0,1,0,0|2,0,0]=4 901 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [0,1,0,1,0,0|1,0,1]=4 902 B9R1.13 CC(C)CC1CCCN1 Z2301511576 [0,1,0,1,0,0|2,0,0]=4 903 B9R1.13 CC(N)CC1CCCO1 Z513796812 [0,1,0,1,0,0|1,0,0]=3 904 B9R1.13 CC(O)CC1CCCN1 Z1203731942 [0,1,0,1,0,0|2,0,0]=4 905 B9R1.13 CC(O)CC1CCOC1 Z1322050500 [0,1,0,1,0,0|2,0,0]=4 906 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [0,1,0,1,0,0|1,0,1]=4 907 B9R1.13 O=C(O)CC1OCCO1 Z1205496445 [0,1,0,1,0,0|1,0,1]=4 908 B9R1.13 O=C(O)CN1CCCC1 Z197269292 [0,1,0,1,0,0|1,0,1]=4 909 B9R1.13 OB(O)CC1CCCC1 Z1147227856 [0,1,0,1,0,0|2,0,0]=4 910 B9R1.24 CC1(CCCC1CN)C Z1203586019 [0,1,0,1,0,0|2,0,0]=4 911 B9R1.24 CC1(CNCC1CO)C Z3824732568 [0,1,0,1,0,0|2,0,0]=4 912 B9R1.24 CC1(COCC1CN)C Z4913143803 [0,1,0,1,0,0|2,0,0]=4 913 B9R1.24 CC1(NCCC1CO)C Z2732445891 [0,1,0,1,0,0|2,0,0]=4 914 B9R1.24 OCC1NCCC1(F)F Z2733326155 [0,1,0,1,0,0|2,0,0]=4 915 B9R1.40 CC1(CCCCC1N)C Z1203579141 [0,1,0,1,0,0|2,0,0]=4 916 B9R1.40 CC1(CCCCC1O)C Z1350656299 [0,1,0,1,0,0|1,0,0]=3 917 B9R1.40 CC1(CNCCC1O)C Z1198307024 [0,1,0,1,0,0|2,0,0]=4 918 B9R1.40 CC1(NCCCC1O)C Z2733321182 [0,1,0,1,0,0|2,0,0]=4 919 B9R1.40 CC1CCCCC1(C)O Z449370784 [0,1,0,1,0,0|1,0,0]=3 920 B9R1.40 CC1CCNCC1(C)C Z1665098520 [0,1,0,1,0,0|2,0,0]=4 921 B9R1.40 C[C@@H]1CCNC[C@]1(C)O Z2309893888 [0,1,0,1,0,0|1,0,0]=3 922 B9R1.40 C[C@]1(CCNC[C@@H]1O)O Z4437808787 [0,1,0,1,0,0|1,0,0]=3 923 B9R1.40 C[C@]1(CNCC[C@@H]1O)O Z3333750066 [0,1,0,1,0,0|2,0,0]=4 924 B9R1.40 NC1COCCC1(F)F Z3244401912 [0,1,0,1,0,0|2,0,0]=4 925 B9R1.40 OC1CNCCC1(F)F Z1962223535 [0,1,0,1,0,0|2,0,0]=4 926 B9R1.41 CC(C)C1CCCC1N Z3278384105 [0,1,0,1,0,0|2,0,0]=4 927 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [0,1,0,1,0,0|1,0,1]=4 928 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [0,1,0,1,0,0|1,0,1]=4 929 B9R1.41 CN(C)[C@@H]1CNC[C@@H]1O Z2310717305 [0,1,0,1,0,0|2,0,0]=4 930 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [0,1,0,1,0,0|1,0,1]=4 931 B9R1.41 N[C@@H]1COC[C@H]1C(F)F Z5410132307 [0,1,0,1,0,0|2,0,0]=4 932 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [0,1,0,1,0,0|1,0,1]=4 933 B9R1.67 CC1CCN1CC(=O)O Z2177030978 [0,1,0,1,0,0|1,0,1]=4 934 B9R1.84 CC(C)COC1CNC1 Z1333043385 [0,1,0,1,0,0|2,0,0]=4 935 B9R1.84 O=C(O)CNC1CCC1 Z4897302450 [0,1,0,1,0,0|1,0,1]=4 936 B9R1.85 CC(C)CCNC1CC1 Z324553108 [0,1,0,1,0,0|2,0,0]=4 937 B9R1.85 CC(C)COCC1CO1 Z147642758 [0,1,0,1,0,0|2,0,0]=4 938 B9R1.85 CC(C)OCCC1CO1 Z1495386355 [0,1,0,1,0,0|2,0,0]=4 939 B9R1.85 NC(=O)COCC1CC1 Z458887542 [0,1,0,1,0,0|0,0,2]=4 940 B9R1.85 O=C(O)CNCC1CC1 Z359505670 [0,1,0,1,0,0|1,0,1]=4 941 B9R1.85 O=C(O)COCC1CC1 Z332379290 [0,1,0,1,0,0|0,0,1]=3 942 B9R1.148 CC1(CCCCCC1)N Z1210869367 [0,1,0,1,0,0|2,0,0]=4 943 B9R1.148 CC1(CCCCCC1)O Z449370874 [0,1,0,1,0,0|1,0,0]=3 944 B9R1.148 CC1(CCCCNC1)C Z1504672380 [0,1,0,1,0,0|2,0,0]=4 945 B9R1.148 CC1(CCCNCC1)C Z1258846913 [0,1,0,1,0,0|2,0,0]=4 946 B9R1.148 CC1(CCCNCC1)O Z1945705132 [0,1,0,1,0,0|2,0,0]=4 947 B9R1.148 CC1(CCNCCO1)C Z3033662169 [0,1,0,1,0,0|1,0,0]=3 948 B9R1.148 CC1(CCNCCS1)C Z1681349216 [0,1,0,1,0,0|1,1,0]=4 949 B9R1.148 CC1(CNCCCO1)C Z1269638431 [0,1,0,1,0,0|2,0,0]=4 950 B9R1.148 CC1(CNCCNC1)O Z3606270690 [0,1,0,1,0,0|2,0,0]=4 951 B9R1.148 CC1(CNCCOC1)C Z2310678918 [0,1,0,1,0,0|2,0,0]=4 952 B9R1.148 CC1(CNCCOC1)O Z1999520497 [0,1,0,1,0,0|1,0,0]=3 953 B9R2.24 O[C@@H]1[C@@H]2CO[C@H]1CN2 Z3379722157 [0,0,0,2,0,0|1,0,0]=3 954 B9R2.49 C1CC2CCC1NO2 Z2712744350 [0,0,0,2,0,0|2,0,0]=4 955 B9R2.49 C1CC2CNC1CN2 Z2301438463 [0,0,0,2,0,0|2,0,0]=4 956 B9R2.50 C1CC[C@H]2NC[C@H]2C1 Z2309997705 [0,0,0,2,0,0|2,0,0]=4 957 B9R2.50 C1CN[C@H]2CC[C@@H]2N1 Z4996473367 [0,0,0,2,0,0|2,0,0]=4 958 B9R2.50 C1CN[C@H]2CC[C@H]2C1 Z3072437860 [0,0,0,2,0,0|2,0,0]=4 959 B9R2.53 OC1C2CNCC1C2 Z1020801268 [0,0,0,2,0,0|2,0,0]=4 960 B9R2.56 CC[C@@]12CNC[C@@H]1C2 Z3670752320 [0,0,0,2,0,0|2,0,0]=4 961 B9R2.56 NC[C@@]12CCC[C@@H]1C2 Z2896171841 [0,0,0,2,0,0|2,0,0]=4 962 B9R2.65 NCC1C2C1CCC2 Z3676755604 [0,0,0,2,0,0|2,0,0]=4 963 B9R2.65 OC[C@@H]1[C@@H]2[C@H]1CNC2 Z362759288 [0,0,0,2,0,0|2,0,0]=4 964 B9R2.68 C1CC2CC(N1)CO2 Z3181698309 [0,0,0,2,0,0|1,0,0]=3 965 B9R2.68 C1CC2CCC(C2)N1 Z3719007183 [0,0,0,2,0,0|2,0,0]=4 966 B9R2.68 C1CC2CNCC1C2 Z1359881938 [0,0,0,2,0,0|2,0,0]=4 967 B9R2.68 C1CC2CNCC1N2 Z1741980016 [0,0,0,2,0,0|2,0,0]=4 968 B9R2.68 C1CC2CNCC1O2 Z1198181219 [0,0,0,2,0,0|1,0,0]=3 969 B9R2.68 C1CC2COCC1N2 Z1203732330 [0,0,0,2,0,0|1,0,0]=3 970 B9R2.68 C1CC2CSCC1N2 Z3013893876 [0,0,0,2,0,0|1,1,0]=4 971 B9R2.68 C1CN2CCC(C2)N1 Z2234631228 [0,0,0,2,0,0|2,0,0]=4 972 B9R2.68 C1NC2COCC1C2 Z4789051337 [0,0,0,2,0,0|2,0,0]=4 973 B9R2.68 C1NCC2CC1CO2 Z1688198390 [0,0,0,2,0,0|2,0,0]=4 974 B9R2.123 NC1C2C1CCCC2 Z1335657662 [0,0,0,2,0,0|2,0,0]=4 975 B9R2.123 NC1C2C1COCC2 Z3053117649 [0,0,0,2,0,0|2,0,0]=4 976 B9R2.174 C1CC2(CCO1)CO2 Z1020679958 [0,0,0,2,0,0|2,0,0]=4 977 B9R2.174 C1CC2(CCS1)CO2 Z1198313574 [0,0,0,2,0,0|2,0,0]=4 978 B9R2.174 C1CCC2(CC1)CO2 Z359231458 [0,0,0,2,0,0|1,0,0]=3 979 B9R2.174 C1CCC2(CC2)NC1 Z3014016765 [0,0,0,2,0,0|2,0,0]=4 980 B9R2.174 C1CNCC2(C1)CC2 Z1718490696 [0,0,0,2,0,0|2,0,0]=4 981 B9R2.174 C1COC2(CC2)CN1 Z3068350883 [0,0,0,2,0,0|1,0,0]=3 982 B9R2.174 C1COCC2(C1)CO2 Z1203154403 [0,0,0,2,0,0|2,0,0]=4 983 B9R2.174 C1COCC2(N1)CC2 Z2143576660 [0,0,0,2,0,0|1,0,0]=3 984 B9R2.174 C1CSCC2(N1)CC2 Z5006030900 [0,0,0,2,0,0|1,1,0]=4 985 B9R2.6 CC12CCCCC1O2 Z1255380027 [0,0,0,2,0,0|1,0,0]=3 986 B9R2.6 NC12CCCCC1C2 Z2694811356 [0,0,0,2,0,0|2,0,0]=4 987 B9R2.6 N[C@@]12CCOC[C@@H]1C2 Z4379876205 [0,0,0,2,0,0|2,0,0]=4 988 B9R2.39 NC1CC2CCC1C2 Z1250132652 [0,0,0,2,0,0|2,0,0]=4 989 B9R2.39 NC1CC2CCC1O2 Z1203586766 [0,0,0,2,0,0|2,0,0]=4 990 B9R2.39 NC1CN2CCC1C2 Z3490555917 [0,0,0,2,0,0|2,0,0]=4 991 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1O2 Z2442099637 [0,0,0,2,0,0|2,0,0]=4 992 B9R2.39 N[C@H]1CC2CCC1O2 Z1270498447 [0,0,0,2,0,0|2,0,0]=4 993 B9R2.39 OC1CC2CCC1C2 Z104479470 [0,0,0,2,0,0|1,0,0]=3 994 B9R2.39 OC1CC2CCC1O2 Z1255395449 [0,0,0,2,0,0|2,0,0]=4 995 B9R2.39 OC1CN2CCC1C2 Z1270446274 [0,0,0,2,0,0|1,0,0]=3 996 B9R2.39 O[C@@H]1C[C@H]2CN[C@@H]1C2 Z3288510014 [0,0,0,2,0,0|2,0,0]=4 997 B9R2.1 NC1CC12CCCC2 Z1863617847 [0,0,0,2,0,0|2,0,0]=4 998 B9R2.2 C1CC(CO1)C2CO2 Z1020680010 [0,0,0,2,0,0|2,0,0]=4 999 B9R2.2 C1CCC(C1)C2CO2 Z1020679780 [0,0,0,2,0,0|1,0,0]=3 1000 B9R2.2 C1CNC(C1)C2CC2 Z1268152305 [0,0,0,2,0,0|2,0,0]=4 1001 B9R2.2 C1COC(C1)C2CO2 Z1504674596 [0,0,0,2,0,0|2,0,0]=4 1002 B9R2.3 C1CC2CCNC2C1 Z1201627727 [0,0,0,2,0,0|2,0,0]=4 1003 B9R2.3 C1CC2CNCC2C1 Z1741974542 [0,0,0,2,0,0|2,0,0]=4 1004 B9R2.3 C1C[C@@H]2CNC[C@@H]2O1 Z2235790854 [0,0,0,2,0,0|1,0,0]=3 1005 B9R2.3 C1NC[C@H]2[C@@H]1COC2 Z2143573972 [0,0,0,2,0,0|2,0,0]=4 1006 B9R2.7 CC1CC2C1CNC2 Z3035824168 [0,0,0,2,0,0|2,0,0]=4 1007 B9R2.7 NC1CC2C1CCC2 Z2866593007 [0,0,0,2,0,0|2,0,0]=4 1008 B9R2.7 N[C@@H]1C[C@H]2[C@@H]1COC2 Z2953725599 [0,0,0,2,0,0|2,0,0]=4 1009 B9R2.7 O[C@@H]1C[C@@H]2[C@H]1CCN2 Z4343629833 [0,0,0,2,0,0|2,0,0]=4 1010 B9R2.7 O[C@@H]1C[C@H]2[C@@H]1CCN2 Z5042714030 [0,0,0,2,0,0|2,0,0]=4 1011 B9R2.173 C1CNC2(C1)CCC2 Z1881598353 [0,0,0,2,0,0|2,0,0]=4 1012 B9R2.173 C1COC2(C1)CNC2 Z2678251317 [0,0,0,2,0,0|2,0,0]=4 1013 B9R2.52 C1=CC2OC2CCC1 Z4464852999 [0,0,0,2,0,0|1,0,1]=4 1014 B9R2.52 C1CCC2CC2NC1 Z4496337315 [0,0,0,2,0,0|2,0,0]=4 1015 B9R2.52 C1CCC2OC2CC1 Z278165186 [0,0,0,2,0,0|1,0,0]=3 1016 B9R2.51 C1CCC2CC(C1)N2 Z5134646662 [0,0,0,2,0,0|2,0,0]=4 1017 B9R2.140 NC1CCC12CCC2 Z3301588621 [0,0,0,2,0,0|2,0,0]=4 1018 B9R2.157 C1CC(C1)NC2CC2 Z2718936440 [0,0,0,2,0,0|2,0,0]=4 1019 B9R2.5 F[C@@H]1CCC[C@@]12CO2 Z3006439959 [0,0,0,2,0,0|2,0,0]=4 1020 B9R2.5 NC1CCCC12CC2 Z2690412247 [0,0,0,2,0,0|2,0,0]=4 1021 B9R2.5 OC1CCNC12CC2 Z3243520641 [0,0,0,2,0,0|2,0,0]=4 1022 B9R2.5 OC1CNCC12CC2 Z1964347421 [0,0,0,2,0,0|1,0,0]=3 1023 B9R2.5 OC1COCC12CO2 Z3446039196 [0,0,0,2,0,0|1,0,0]=3 1024 B9R2.14 C[C@]12CC[C@H]1CCN2 Z3409517740 [0,0,0,2,0,0|2,0,0]=4 1025 B9R2.14 N[C@]12CC[C@H]1CNC2 Z4989061547 [0,0,0,2,0,0|2,0,0]=4 1026 B9R2.33 N[C@H]1C[C@@H]2CC[C@@H]2C1 Z4368396323 [0,0,0,2,0,0|2,0,0]=4 1027 B9R2.36 NC1CCC1C2CC2 Z1966566405 [0,0,0,2,0,0|2,0,0]=4 1028 B9R2.79 NC[C@@H]1C[C@H]1C2CC2 Z2240803949 [0,0,0,2,0,0|2,0,0]=4 1029 B9R2.69 C1CC1CCC2CO2 Z2238725689 [0,0,0,2,0,0|1,0,0]=3