0 B6R1.1 C1=CCCCC1 Z104474726 [0,0,0,0,0,0|1,0,1]=2 1 B6R1.1 C1=CCNCC1 Z1623864216 [0,0,0,0,0,0|1,0,2]=3 2 B6R1.1 C1=CCONC1 Z1486018651 [0,0,0,0,0,0|1,0,2]=3 3 B6R1.1 C1=NCCCN1 Z1198163087 [0,0,0,0,0,0|2,0,1]=3 4 B6R1.1 C1CCONC1 Z1787355355 [0,0,0,0,0,0|1,0,0]=1 5 B6R1.1 C1CNCCN1 Z1245537944 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.1 C1COCCN1 Z57127568 [0,0,0,0,0,0|1,0,0]=1 7 B6R1.1 C1CSCCN1 Z352252014 [0,0,0,0,0,0|1,1,0]=2 8 B7R1.3 C=C1CCNCC1 Z1124146875 [0,1,0,0,0,0|1,0,1]=3 9 B7R1.3 CC1=CCCNC1 Z2143573194 [0,1,0,0,0,0|1,0,2]=4 10 B7R1.3 CC1CNCCN1 Z104480242 [0,1,0,0,0,0|2,0,0]=3 11 B7R1.3 CC1CNCCO1 Z204013884 [0,1,0,0,0,0|1,0,0]=2 12 B7R1.3 CC1CNCCS1 Z334686272 [0,1,0,0,0,0|1,1,0]=3 13 B7R1.3 CC1COCCN1 Z336087928 [0,1,0,0,0,0|1,0,0]=2 14 B7R1.3 CC1CSCCN1 Z334686282 [0,1,0,0,0,0|1,1,0]=3 15 B7R1.3 CN1CCNCC1 Z57834041 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [0,1,0,0,0,0|1,0,0]=2 17 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [0,1,0,0,0,0|2,0,0]=3 18 B7R1.3 FC1=CCCNC1 Z1570657372 [0,1,0,0,0,0|1,0,2]=4 19 B7R1.3 FC1CCNCC1 Z1741960061 [0,1,0,0,0,0|1,0,0]=2 20 B7R1.3 NC1=NCCCC1 Z1723418848 [0,1,0,0,0,0|1,0,1]=3 21 B7R1.3 NC1=NCCCN1 Z1259041088 [0,1,0,0,0,0|2,0,1]=4 22 B7R1.3 NC1=NCCCS1 Z2211231389 [0,1,0,0,0,0|1,1,1]=4 23 B7R1.3 NC1C=CCCC1 Z1203579654 [0,1,0,0,0,0|1,0,1]=3 24 B7R1.3 NC1CCCCC1 Z1945707495 [0,1,0,0,0,0|1,0,0]=2 25 B7R1.3 NC1CCCOC1 Z1013492300 [0,1,0,0,0,0|0,0,0]=1 26 B7R1.3 NC1CCCSC1 Z1029463244 [0,1,0,0,0,0|0,1,0]=2 27 B7R1.3 NC1CCOCC1 Z600428352 [0,1,0,0,0,0|0,0,0]=1 28 B7R1.3 NC1CCSCC1 Z992716928 [0,1,0,0,0,0|0,1,0]=2 29 B7R1.3 O=C1C=CCCC1 Z295197140 [0,1,0,0,0,0|1,0,2]=4 30 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,1,0,0,0,0|0,0,3]=4 31 B7R1.3 O=C1CCCCC1 Z104474256 [0,1,0,0,0,0|1,0,0]=2 32 B7R1.3 O=C1CCCCN1 Z168817684 [0,1,0,0,0,0|1,0,1]=3 33 B7R1.3 O=C1CCCCO1 Z432085120 [0,1,0,0,0,0|0,0,1]=2 34 B7R1.3 O=C1CCCCS1 Z1726147018 [0,1,0,0,0,0|0,1,1]=3 35 B7R1.3 O=C1CCCNC1 Z3063726909 [0,1,0,0,0,0|1,0,1]=3 36 B7R1.3 O=C1CCCNN1 Z1416174508 [0,1,0,0,0,0|2,0,1]=4 37 B7R1.3 O=C1CCCSC1 Z979714552 [0,1,0,0,0,0|0,1,1]=3 38 B7R1.3 O=C1CCNCC1 Z1741959513 [0,1,0,0,0,0|1,0,1]=3 39 B7R1.3 O=C1CNCCN1 Z56968535 [0,1,0,0,0,0|2,0,1]=4 40 B7R1.3 O=C1CSCCN1 Z337709368 [0,1,0,0,0,0|1,1,1]=4 41 B7R1.3 O=C1CSCSC1 Z1251333166 [0,1,0,0,0,0|1,1,1]=4 42 B7R1.3 O=C1NCCCN1 Z1203730774 [0,1,0,0,0,0|2,0,1]=4 43 B7R1.3 O=C1NCCCO1 Z1198312172 [0,1,0,0,0,0|1,0,1]=3 44 B7R1.3 O=C1NNCCO1 Z2732442016 [0,1,0,0,0,0|2,0,1]=4 45 B7R1.3 O=S1CCNCC1 Z1263714072 [0,1,0,0,0,0|1,1,0]=3 46 B7R1.3 OC1CCCCC1 Z104473498 [0,1,0,0,0,0|1,0,0]=2 47 B7R1.3 OC1CCCSC1 Z993818972 [0,1,0,0,0,0|0,1,0]=2 48 B7R1.3 OC1CCNCC1 Z56347197 [0,1,0,0,0,0|1,0,0]=2 49 B7R1.3 OC1CCOCC1 Z1359429523 [0,1,0,0,0,0|0,0,0]=1 50 B7R1.3 OC1CCONC1 Z3325124334 [0,1,0,0,0,0|1,0,0]=2 51 B7R1.3 OC1CNCCO1 Z1428160315 [0,1,0,0,0,0|1,0,0]=2 52 B7R1.3 OC1COCOC1 Z431564488 [0,1,0,0,0,0|1,0,0]=2 53 B5R0.2 C#CCCCN Z1945700461 [0,0,1,0,0,0|1,0,2]=4 54 B5R0.2 C#CCCNC Z3270794267 [0,0,1,0,0,0|1,0,2]=4 55 B5R0.2 C#CCNCC Z815264056 [0,0,1,0,0,0|1,0,2]=4 56 B5R0.2 C/C=C/CCN Z1268152372 [0,0,1,0,0,0|1,0,2]=4 57 B5R0.2 C/C=C/OCC Z281777810 [0,0,1,0,0,0|0,0,2]=3 58 B5R0.2 C=CCCCN Z993058434 [0,0,1,0,0,0|1,0,2]=4 59 B5R0.2 C=CCNCC Z2044769224 [0,0,1,0,0,0|1,0,2]=4 60 B5R0.2 CC#CCCO Z1033337288 [0,0,1,0,0,0|0,0,2]=3 61 B5R0.2 CC#CCNC Z2679312432 [0,0,1,0,0,0|1,0,2]=4 62 B5R0.2 CCC#CCN Z4935566672 [0,0,1,0,0,0|1,0,2]=4 63 B5R0.2 CCCCC=O Z104472992 [0,0,1,0,0,0|0,0,2]=3 64 B5R0.2 CCCCCN Z104472246 [0,0,1,0,0,0|1,0,0]=2 65 B5R0.2 CCCNCC Z138446288 [0,0,1,0,0,0|1,0,0]=2 66 B5R0.2 CCNCC#N Z235583784 [0,0,1,0,0,0|2,0,1]=4 67 B5R0.2 CCNCCF Z1198305484 [0,0,1,0,0,0|2,0,0]=3 68 B5R0.2 CCNCCO Z1258992395 [0,0,1,0,0,0|1,0,0]=2 69 B5R0.2 CCNOCC Z223690220 [0,0,1,0,0,0|1,0,0]=2 70 B5R0.2 CCOCC#N Z295205412 [0,0,1,0,0,0|1,0,1]=3 71 B5R0.2 CCOCCN Z271005962 [0,0,1,0,0,0|1,0,0]=2 72 B5R0.2 CCOCCO Z104473122 [0,0,1,0,0,0|1,0,0]=2 73 B5R0.2 CCSCCN Z3061111063 [0,0,1,0,0,0|1,1,0]=3 74 B5R0.2 CNCCCO Z104756980 [0,0,1,0,0,0|1,0,0]=2 75 B5R0.2 CNCCOC Z1259162131 [0,0,1,0,0,0|1,0,0]=2 76 B5R0.2 CNCCSC Z1398461959 [0,0,1,0,0,0|1,1,0]=3 77 B5R0.2 COCCC#N Z277467992 [0,0,1,0,0,0|1,0,1]=3 78 B5R0.2 COCCCO Z431517702 [0,0,1,0,0,0|1,0,0]=2 79 B5R0.2 COCCOC Z104473014 [0,0,1,0,0,0|1,0,0]=2 80 B5R0.2 N#CCCCN Z1649677743 [0,0,1,0,0,0|2,0,1]=4 81 B5R0.2 N#CCCCO Z385458622 [0,0,1,0,0,0|1,0,1]=3 82 B5R0.2 NCCCCF Z2177031126 [0,0,1,0,0,0|2,0,0]=3 83 B5R0.2 NCCCCN Z104472592 [0,0,1,0,0,0|2,0,0]=3 84 B5R0.2 OC/C=C/CO Z237581088 [0,0,1,0,0,0|1,0,2]=4 85 B7R2.13 C1=CC2OC2C1 Z1238546190 [0,0,0,1,0,0|0,0,2]=3 86 B7R2.13 C1CC2CC2N1 Z1964347529 [0,0,0,1,0,0|1,0,0]=2 87 B7R2.13 C1CC2OC2C1 Z255149904 [0,0,0,1,0,0|0,0,0]=1 88 B7R2.13 C1NCC2C1C2 Z1270630267 [0,0,0,1,0,0|1,0,0]=2 89 B5R1.1 C1=CCNC1 Z2306624771 [0,0,0,0,1,0|1,0,2]=4 90 B7R1.24 C1=CCCNCC1 Z1255363448 [0,0,0,0,0,1|1,0,1]=3 91 B7R1.24 C1CCCNCC1 Z57127566 [0,0,0,0,0,1|1,0,0]=2 92 B7R1.24 C1CCNOCC1 Z1824482753 [0,0,0,0,0,1|0,0,0]=1 93 B7R1.24 C1CNCCOC1 Z359510198 [0,0,0,0,0,1|0,0,0]=1 94 B7R1.24 C1CNCCSC1 Z1954803255 [0,0,0,0,0,1|0,1,0]=2 95 B7R1.24 C1CSSCCN1 Z1203735354 [0,0,0,0,0,1|1,1,0]=3 96 B4R0.2 CCCC#N Z238878246 [1,0,1,0,0,0|1,0,1]=4 97 B4R0.2 CCCCN Z104474314 [1,0,1,0,0,0|1,0,0]=3 98 B4R0.2 CCCCO Z104473488 [1,0,1,0,0,0|0,0,0]=2 99 B4R0.2 CCCNN Z415728048 [1,0,1,0,0,0|2,0,0]=4 100 B4R0.2 COCC#N Z86023357 [1,0,1,0,0,0|1,0,1]=4 101 B4R0.2 COCCO Z104473522 [1,0,1,0,0,0|1,0,0]=3 102 B4R0.2 CSCCO Z149154880 [1,0,1,0,0,0|1,0,0]=3 103 B4R0.2 NCCCN Z104478068 [1,0,1,0,0,0|2,0,0]=4 104 B4R0.2 NCCCO Z56771034 [1,0,1,0,0,0|1,0,0]=3 105 B6R0.1 C#CCC(N)CC Z969111798 [0,1,1,0,0,0|1,0,1]=4 106 B6R0.1 C=CCC(N)CC Z1981870426 [0,1,1,0,0,0|1,0,1]=4 107 B6R0.1 C=CCC(N)CO Z1815149150 [0,1,1,0,0,0|0,0,2]=4 108 B6R0.1 C=CCC(O)CC Z808662120 [0,1,1,0,0,0|1,0,1]=4 109 B6R0.1 CC(CN)CCO Z1203581915 [0,1,1,0,0,0|1,0,0]=3 110 B6R0.1 CC(CO)CCN Z5410631465 [0,1,1,0,0,0|1,0,0]=3 111 B6R0.1 CCC(=O)COC Z825742020 [0,1,1,0,0,0|0,0,1]=3 112 B6R0.1 CCC(C)CNC Z1266854907 [0,1,1,0,0,0|1,0,0]=3 113 B6R0.1 CCC(N)CCO Z1258578227 [0,1,1,0,0,0|0,0,0]=2 114 B6R0.1 CCC(N)COC Z825742260 [0,1,1,0,0,0|0,0,0]=2 115 B6R0.1 CCC(O)CCN Z406342052 [0,1,1,0,0,0|1,0,0]=3 116 B6R0.1 CCC(O)CCO Z1198157972 [0,1,1,0,0,0|0,0,0]=2 117 B6R0.1 CCCC(=O)CN Z1203579017 [0,1,1,0,0,0|1,0,1]=4 118 B6R0.1 CCCC(=O)NO Z59181937 [0,1,1,0,0,0|1,0,1]=4 119 B6R0.1 CCCC(C)C#N Z415654768 [0,1,1,0,0,0|1,0,1]=4 120 B6R0.1 CCCC(C)NC Z394693580 [0,1,1,0,0,0|1,0,0]=3 121 B6R0.1 CCCC(N)C#N Z398513448 [0,1,1,0,0,0|1,0,1]=4 122 B6R0.1 CCCC(N)CC Z1642389626 [0,1,1,0,0,0|1,0,0]=3 123 B6R0.1 CCCC(N)CN Z425861040 [0,1,1,0,0,0|1,0,0]=3 124 B6R0.1 CCCC(O)CN Z419084742 [0,1,1,0,0,0|1,0,0]=3 125 B6R0.1 CCNC(=O)CO Z431952024 [0,1,1,0,0,0|1,0,1]=4 126 B6R0.1 CCNC(C)CC Z2509351098 [0,1,1,0,0,0|1,0,0]=3 127 B6R0.1 CCOC(=N)CC Z3033961910 [0,1,1,0,0,0|0,0,1]=3 128 B6R0.1 CCOC(=O)CN Z594038186 [0,1,1,0,0,0|1,0,1]=4 129 B6R0.1 CCOC(=O)CO Z385458066 [0,1,1,0,0,0|1,0,1]=4 130 B6R0.1 CCOC(C)CN Z844631802 [0,1,1,0,0,0|1,0,0]=3 131 B6R0.1 CCS(=O)CCN Z1266854910 [0,1,1,0,0,0|1,1,0]=4 132 B6R0.1 CNC(=O)CCO Z975909370 [0,1,1,0,0,0|1,0,1]=4 133 B6R0.1 CNC(C)CCO Z1198266877 [0,1,1,0,0,0|1,0,0]=3 134 B6R0.1 CNC(C)COC Z815264298 [0,1,1,0,0,0|1,0,0]=3 135 B6R0.1 CNC(C)CSC Z995116552 [0,1,1,0,0,0|1,1,0]=4 136 B6R0.1 CNCC(=O)OC Z89264972 [0,1,1,0,0,0|1,0,1]=4 137 B6R0.1 CNCC(C)OC Z2065788390 [0,1,1,0,0,0|1,0,0]=3 138 B6R0.1 CNC[C@H](O)CO Z600533638 [0,1,1,0,0,0|1,0,0]=3 139 B6R0.1 COC(C)CC#N Z847151020 [0,1,1,0,0,0|1,0,1]=4 140 B6R0.1 COC(C)CCN Z802903932 [0,1,1,0,0,0|1,0,0]=3 141 B6R0.1 COCC(C)CO Z1192375999 [0,1,1,0,0,0|1,0,0]=3 142 B6R0.1 COCC(N)C#N Z1601562385 [0,1,1,0,0,0|1,0,1]=4 143 B6R0.1 COCC(N)CN Z1203580237 [0,1,1,0,0,0|1,0,0]=3 144 B6R0.1 COCC(N)CO Z1945984156 [0,1,1,0,0,0|1,0,0]=3 145 B6R0.1 COCC(O)CN Z271097108 [0,1,1,0,0,0|1,0,0]=3 146 B6R0.1 CSC(C)CCN Z732208464 [0,1,1,0,0,0|1,1,0]=4 147 B6R0.1 CSC(C)CCO Z1262258908 [0,1,1,0,0,0|1,0,0]=3 148 B6R0.1 CSCC(C)CN Z732208434 [0,1,1,0,0,0|1,1,0]=4 149 B6R0.1 CSCC(C)CO Z1270310211 [0,1,1,0,0,0|1,0,0]=3 150 B6R0.1 CSCC(O)CO Z1126770422 [0,1,1,0,0,0|1,0,0]=3 151 B6R0.1 NCC[C@H](F)CN Z4607150940 [0,1,1,0,0,0|2,0,0]=4 152 B6R0.4 C#CCCC(C)O Z854048672 [0,1,1,0,0,0|0,0,2]=4 153 B6R0.4 C=CCCC(C)N Z3681295487 [0,1,1,0,0,0|1,0,1]=4 154 B6R0.4 C=COCC(C)C Z916978390 [0,1,1,0,0,0|0,0,2]=4 155 B6R0.4 CC#CCC(C)N Z975788700 [0,1,1,0,0,0|1,0,1]=4 156 B6R0.4 CC(=O)OCCN Z1973465551 [0,1,1,0,0,0|1,0,1]=4 157 B6R0.4 CC(C)CCCN Z992716898 [0,1,1,0,0,0|1,0,0]=3 158 B6R0.4 CC(C)NCCN Z3375885739 [0,1,1,0,0,0|2,0,0]=4 159 B6R0.4 CC(C)NCCO Z137800940 [0,1,1,0,0,0|1,0,0]=3 160 B6R0.4 CC(C)OCC#N Z295206482 [0,1,1,0,0,0|1,0,1]=4 161 B6R0.4 CC(C)OCCN Z1688198421 [0,1,1,0,0,0|1,0,0]=3 162 B6R0.4 CC(C)OCCO Z104478444 [0,1,1,0,0,0|1,0,0]=3 163 B6R0.4 CC(C)SCCN Z2092369402 [0,1,1,0,0,0|1,1,0]=4 164 B6R0.4 CC(N)CCCN Z2230911100 [0,1,1,0,0,0|1,0,0]=3 165 B6R0.4 CC(N)CCCO Z1203578676 [0,1,1,0,0,0|0,0,0]=2 166 B6R0.4 CC(O)CCCN Z1198178891 [0,1,1,0,0,0|1,0,0]=3 167 B6R0.4 CCCCB(O)O Z1147227739 [0,1,1,0,0,0|1,0,0]=3 168 B6R0.4 CCCCC(=N)N Z1723418909 [0,1,1,0,0,0|1,0,1]=4 169 B6R0.4 CCCCC(=O)N Z104476278 [0,1,1,0,0,0|0,0,2]=4 170 B6R0.4 CCCCC(=O)O Z104473312 [0,1,1,0,0,0|0,0,1]=3 171 B6R0.4 CCCCC(C)N Z3300506318 [0,1,1,0,0,0|1,0,0]=3 172 B6R0.4 CCCNC(=O)C Z33030314 [0,1,1,0,0,0|1,0,1]=4 173 B6R0.4 CCCOC(=O)N Z1198148877 [0,1,1,0,0,0|1,0,1]=4 174 B6R0.4 CCNCC(=O)O Z744593094 [0,1,1,0,0,0|1,0,1]=4 175 B6R0.4 CCNCC(C)C Z380844664 [0,1,1,0,0,0|1,0,0]=3 176 B6R0.4 CCNCC(C)O Z138692768 [0,1,1,0,0,0|1,0,0]=3 177 B6R0.4 CCNCC(F)F Z1691545150 [0,1,1,0,0,0|2,0,0]=4 178 B6R0.4 CCOCC(=O)O Z104495232 [0,1,1,0,0,0|1,0,1]=4 179 B6R0.4 CCOCC(C)N Z839575202 [0,1,1,0,0,0|0,0,0]=2 180 B6R0.4 CCSCC(C)N Z1203641186 [0,1,1,0,0,0|0,1,0]=3 181 B6R0.4 CNCCC(=O)C Z1536943318 [0,1,1,0,0,0|1,0,1]=4 182 B6R0.4 CNCCC(C)C Z607822512 [0,1,1,0,0,0|1,0,0]=3 183 B6R0.4 CNCCC(C)O Z1203731868 [0,1,1,0,0,0|1,0,0]=3 184 B6R0.4 CNCCN(C)C Z138123106 [0,1,1,0,0,0|2,0,0]=4 185 B6R0.4 COCCC(=N)N Z1592042674 [0,1,1,0,0,0|1,0,1]=4 186 B6R0.4 COCCC(=O)C Z362119682 [0,1,1,0,0,0|0,0,1]=3 187 B6R0.4 COCCC(=O)N Z394696458 [0,1,1,0,0,0|1,0,1]=4 188 B6R0.4 COCCC(=O)O Z285184634 [0,1,1,0,0,0|1,0,1]=4 189 B6R0.4 COCCC(C)N Z361881180 [0,1,1,0,0,0|0,0,0]=2 190 B6R0.4 COCCC(C)O Z818738042 [0,1,1,0,0,0|0,0,0]=2 191 B6R0.4 COCCN(C)C Z5121096537 [0,1,1,0,0,0|1,0,0]=3 192 B6R0.4 CSCCC(=O)O Z54719251 [0,1,1,0,0,0|1,0,1]=4 193 B6R0.4 NC(=O)CCCO Z1203578394 [0,1,1,0,0,0|1,0,1]=4 194 B6R0.4 NCCCC(=O)O Z104475620 [0,1,1,0,0,0|1,0,1]=4 195 B6R0.4 NCCCC(F)F Z1198165810 [0,1,1,0,0,0|2,0,0]=4 196 B6R0.4 NCCCS(=O)O Z1203579399 [0,1,1,0,0,0|2,0,0]=4 197 B6R0.4 O=C(O)CCCS Z147642510 [0,1,1,0,0,0|1,0,1]=4 198 B6R0.6 C#CCCCCN Z1431002697 [0,1,1,0,0,0|1,0,1]=4 199 B6R0.6 C#CCNCCC Z815264308 [0,1,1,0,0,0|1,0,1]=4 200 B6R0.6 C=CCCCCN Z1198160046 [0,1,1,0,0,0|1,0,1]=4 201 B6R0.6 C=CCNCCO Z137800938 [0,1,1,0,0,0|0,0,2]=4 202 B6R0.6 C=CCOCCN Z976678988 [0,1,1,0,0,0|0,0,2]=4 203 B6R0.6 CCC#CCCN Z1203585246 [0,1,1,0,0,0|1,0,1]=4 204 B6R0.6 CCCCCCO Z104473568 [0,1,1,0,0,0|0,0,0]=2 205 B6R0.6 CCCCN=C=S Z104473876 [0,1,1,0,0,0|0,1,1]=4 206 B6R0.6 CCCNCC#N Z235653524 [0,1,1,0,0,0|1,0,1]=4 207 B6R0.6 CCCOCCN Z4449042604 [0,1,1,0,0,0|0,0,0]=2 208 B6R0.6 CCNCCCF Z1203824341 [0,1,1,0,0,0|1,0,0]=3 209 B6R0.6 CCNCCCO Z138139914 [0,1,1,0,0,0|0,0,0]=2 210 B6R0.6 CCNCCSC Z2412193591 [0,1,1,0,0,0|0,1,0]=3 211 B6R0.6 CCOCCCO Z1080358490 [0,1,1,0,0,0|0,0,0]=2 212 B6R0.6 CNCCCCN Z2939606540 [0,1,1,0,0,0|1,0,0]=3 213 B6R0.6 CNCCCCO Z839096662 [0,1,1,0,0,0|0,0,0]=2 214 B6R0.6 CNCCCOC Z137847932 [0,1,1,0,0,0|0,0,0]=2 215 B6R0.6 CNCCCSC Z102766932 [0,1,1,0,0,0|0,1,0]=3 216 B6R0.6 COCCCC#N Z295205400 [0,1,1,0,0,0|0,0,1]=3 217 B6R0.6 COCCCCO Z431605254 [0,1,1,0,0,0|0,0,0]=2 218 B6R0.6 COCCN=C=O Z1094719556 [0,1,1,0,0,0|1,0,1]=4 219 B6R0.6 CONCCCN Z2492414217 [0,1,1,0,0,0|1,0,0]=3 220 B6R0.6 ClCCNCCCl Z57388616 [0,1,1,0,0,0|2,0,0]=4 221 B6R0.6 FCCNCCF Z4880681336 [0,1,1,0,0,0|2,0,0]=4 222 B6R0.6 N#CCCCCN Z823279224 [0,1,1,0,0,0|1,0,1]=4 223 B6R0.6 N#CCCCCO Z431952150 [0,1,1,0,0,0|0,0,1]=3 224 B6R0.6 NCC#CCCO Z1203639371 [0,1,1,0,0,0|0,0,2]=4 225 B6R0.6 NCCC#CCO Z4947584692 [0,1,1,0,0,0|0,0,2]=4 226 B6R0.6 NCCCCCF Z3524160733 [0,1,1,0,0,0|1,0,0]=3 227 B6R0.6 NCCCCCN Z951173830 [0,1,1,0,0,0|1,0,0]=3 228 B6R0.6 NCCNCCN Z104475186 [0,1,1,0,0,0|2,0,0]=4 229 B6R0.6 OCCNCCO Z104475196 [0,1,1,0,0,0|1,0,0]=3 230 B6R1.2 C=C1CCNC1 Z3019986853 [0,1,0,0,1,0|1,0,1]=4 231 B6R1.2 C=C1CNOC1 Z3037884222 [0,1,0,0,1,0|1,0,1]=4 232 B6R1.2 CC1CCCN1 Z1274177652 [0,1,0,0,1,0|1,0,0]=3 233 B6R1.2 CC1CCNC1 Z729771722 [0,1,0,0,1,0|1,0,0]=3 234 B6R1.2 CC1CNNC1 Z4953319766 [0,1,0,0,1,0|2,0,0]=4 235 B6R1.2 FC1CCNC1 Z1139751347 [0,1,0,0,1,0|1,0,0]=3 236 B6R1.2 N=C1CCCN1 Z204007506 [0,1,0,0,1,0|1,0,1]=4 237 B6R1.2 NC1=NCCO1 Z336087916 [0,1,0,0,1,0|1,0,1]=4 238 B6R1.2 NC1C=CCC1 Z2679312470 [0,1,0,0,1,0|0,0,2]=4 239 B6R1.2 NC1CC=CC1 Z1416200863 [0,1,0,0,1,0|0,0,2]=4 240 B6R1.2 NC1CCOC1 Z802544198 [0,1,0,0,1,0|0,0,0]=2 241 B6R1.2 NC1CCSC1 Z1267885911 [0,1,0,0,1,0|0,1,0]=3 242 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [0,1,0,0,1,0|0,0,2]=4 243 B6R1.2 O=C1CCCN1 Z104472846 [0,1,0,0,1,0|1,0,1]=4 244 B6R1.2 O=C1CCNC1 Z1741976513 [0,1,0,0,1,0|1,0,1]=4 245 B6R1.2 O=C1CCSC1 Z104495638 [0,1,0,0,1,0|0,1,1]=4 246 B6R1.2 O=C1NCCO1 Z104474784 [0,1,0,0,1,0|1,0,1]=4 247 B6R1.2 O=C1OCCO1 Z1172235744 [0,1,0,0,1,0|1,0,1]=4 248 B6R1.2 O=S1CCCC1 Z278052312 [0,1,0,0,1,0|0,1,0]=3 249 B6R1.2 OC1C=CCC1 Z1255485846 [0,1,0,0,1,0|0,0,2]=4 250 B6R1.2 OC1CCOC1 Z1124541349 [0,1,0,0,1,0|0,0,0]=2 251 B6R1.2 OC1CCSC1 Z335244836 [0,1,0,0,1,0|0,1,0]=3 252 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,1,0,0,1,0|1,0,0]=3 253 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,1,0,0,1,0|1,0,0]=3 254 B8R1.22 CC1CCCCNC1 Z1723849152 [0,1,0,0,0,1|1,0,0]=3 255 B8R1.22 CC1CCCNCC1 Z425362298 [0,1,0,0,0,1|1,0,0]=3 256 B8R1.22 CC1CCNCCN1 Z3006266627 [0,1,0,0,0,1|1,0,0]=3 257 B8R1.22 CC1CCNCCO1 Z2855997854 [0,1,0,0,0,1|0,0,0]=2 258 B8R1.22 CC1CCNCCS1 Z1270499064 [0,1,0,0,0,1|0,1,0]=3 259 B8R1.22 CC1CCOCCN1 Z2940715295 [0,1,0,0,0,1|0,0,0]=2 260 B8R1.22 CC1CCSCCN1 Z1839475384 [0,1,0,0,0,1|0,1,0]=3 261 B8R1.22 CC1CNCCCN1 Z1203732447 [0,1,0,0,0,1|1,0,0]=3 262 B8R1.22 CC1CNCCCO1 Z425722880 [0,1,0,0,0,1|0,0,0]=2 263 B8R1.22 CC1CNCCOC1 Z1216819166 [0,1,0,0,0,1|0,0,0]=2 264 B8R1.22 CC1CNCCSC1 Z1270496770 [0,1,0,0,0,1|0,1,0]=3 265 B8R1.22 CC1COCCCN1 Z1216819161 [0,1,0,0,0,1|0,0,0]=2 266 B8R1.22 CC1CSCCCN1 Z2895198847 [0,1,0,0,0,1|0,1,0]=3 267 B8R1.22 CN1CCCNCC1 Z104479254 [0,1,0,0,0,1|1,0,0]=3 268 B8R1.22 FC1CCCNCC1 Z1255416656 [0,1,0,0,0,1|1,0,0]=3 269 B8R1.22 FC1CNCCOC1 Z4924614783 [0,1,0,0,0,1|0,0,0]=2 270 B8R1.22 NC1CCC=CCC1 Z2824346881 [0,1,0,0,0,1|1,0,0]=3 271 B8R1.22 NC1CCCCCC1 Z104477488 [0,1,0,0,0,1|1,0,0]=3 272 B8R1.22 NC1CCCSCC1 Z3102941972 [0,1,0,0,0,1|0,1,0]=3 273 B8R1.22 NC1COCCOC1 Z1463350443 [0,1,0,0,0,1|0,0,0]=2 274 B8R1.22 NC1CSCCSC1 Z4628238517 [0,1,0,0,0,1|0,1,0]=3 275 B8R1.22 O=C1CCCCCC1 Z104473100 [0,1,0,0,0,1|1,0,0]=3 276 B8R1.22 O=C1CCNCCN1 Z119989554 [0,1,0,0,0,1|1,0,1]=4 277 B8R1.22 O=C1CCOCCN1 Z821098578 [0,1,0,0,0,1|0,0,1]=3 278 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,1,0,0,0,1|0,1,1]=4 279 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,1,0,0,0,1|1,0,1]=4 280 B8R1.22 O=C1COCCCN1 Z1203733065 [0,1,0,0,0,1|0,0,1]=3 281 B8R1.22 OC1CCCNCC1 Z1198309797 [0,1,0,0,0,1|1,0,0]=3 282 B8R1.22 OC1CNCCOC1 Z2234631219 [0,1,0,0,0,1|0,0,0]=2 283 B8R1.2 BrC=C1CCNCC1 Z4355559318 [0,2,0,0,0,0|1,0,1]=4 284 B8R1.2 BrCC1CCCCO1 Z104484248 [0,2,0,0,0,0|0,0,0]=2 285 B8R1.2 C#CC1CCCCC1 Z1255457380 [0,2,0,0,0,0|1,0,0]=3 286 B8R1.2 C#CC1CCCCN1 Z2940715353 [0,2,0,0,0,0|1,0,0]=3 287 B8R1.2 C#CC1CCCNC1 Z1741980183 [0,2,0,0,0,0|1,0,0]=3 288 B8R1.2 C#CC1CCNCC1 Z2418193722 [0,2,0,0,0,0|1,0,0]=3 289 B8R1.2 C#CC1COCCN1 Z2235775085 [0,2,0,0,0,0|1,0,0]=3 290 B8R1.2 C=CC1CCCCN1 Z2142036752 [0,2,0,0,0,0|1,0,0]=3 291 B8R1.2 C=CC1CCCNC1 Z2740400893 [0,2,0,0,0,0|1,0,0]=3 292 B8R1.2 C=CC1CCNCC1 Z1266933822 [0,2,0,0,0,0|1,0,0]=3 293 B8R1.2 CCC1CCCCN1 Z839028612 [0,2,0,0,0,0|1,0,0]=3 294 B8R1.2 CCC1CCCNC1 Z381019246 [0,2,0,0,0,0|1,0,0]=3 295 B8R1.2 CCC1CCNCC1 Z1198394219 [0,2,0,0,0,0|1,0,0]=3 296 B8R1.2 CCC1CNCCN1 Z3234914816 [0,2,0,0,0,0|2,0,0]=4 297 B8R1.2 CCC1CNCCO1 Z283724556 [0,2,0,0,0,0|1,0,0]=3 298 B8R1.2 CCC1CNCCS1 Z1203735378 [0,2,0,0,0,0|1,1,0]=4 299 B8R1.2 CCC1COCCN1 Z405749950 [0,2,0,0,0,0|1,0,0]=3 300 B8R1.2 CCN1CCNCC1 Z104472630 [0,2,0,0,0,0|2,0,0]=4 301 B8R1.2 CNC1=NCCCC1 Z1744713171 [0,2,0,0,0,0|1,0,1]=4 302 B8R1.2 CNC1CCCSC1 Z1873867368 [0,2,0,0,0,0|0,1,0]=3 303 B8R1.2 CNC1CCNCC1 Z1511513954 [0,2,0,0,0,0|1,0,0]=3 304 B8R1.2 CNC1CCOCC1 Z440603550 [0,2,0,0,0,0|0,0,0]=2 305 B8R1.2 CNC1CCSCC1 Z3234882084 [0,2,0,0,0,0|0,1,0]=3 306 B8R1.2 COC1=NCCCC1 Z729471270 [0,2,0,0,0,0|1,0,1]=4 307 B8R1.2 COC1CCC=CO1 Z995169098 [0,2,0,0,0,0|0,0,2]=4 308 B8R1.2 COC1CCNCC1 Z169511496 [0,2,0,0,0,0|1,0,0]=3 309 B8R1.2 COC1CNCCO1 Z1203748232 [0,2,0,0,0,0|1,0,0]=3 310 B8R1.2 CSC1CCNCC1 Z1201627011 [0,2,0,0,0,0|1,0,0]=3 311 B8R1.2 ClCC1CCOCO1 Z56932992 [0,2,0,0,0,0|1,0,0]=3 312 B8R1.2 ClCC1CNCCO1 Z1198749808 [0,2,0,0,0,0|1,0,0]=3 313 B8R1.2 FCC1CCCNC1 Z2768770399 [0,2,0,0,0,0|1,0,0]=3 314 B8R1.2 FCC1CNCCO1 Z1262569974 [0,2,0,0,0,0|1,0,0]=3 315 B8R1.2 N#CC1=COCCC1 Z1134174156 [0,2,0,0,0,0|0,0,2]=4 316 B8R1.2 N#CC1CCCCC1 Z210803886 [0,2,0,0,0,0|1,0,0]=3 317 B8R1.2 N#CC1CCCCN1 Z205012332 [0,2,0,0,0,0|1,0,0]=3 318 B8R1.2 N#CC1CCCCS1 Z1413800329 [0,2,0,0,0,0|0,1,0]=3 319 B8R1.2 N#CC1CCCNC1 Z1198184383 [0,2,0,0,0,0|1,0,0]=3 320 B8R1.2 N#CC1CCCOC1 Z1079179226 [0,2,0,0,0,0|0,0,0]=2 321 B8R1.2 N#CC1CCNCC1 Z969559998 [0,2,0,0,0,0|1,0,0]=3 322 B8R1.2 N#CC1CCOCC1 Z440605452 [0,2,0,0,0,0|0,0,0]=2 323 B8R1.2 N#CC1CNCCN1 Z1741976055 [0,2,0,0,0,0|2,0,0]=4 324 B8R1.2 N#CC1CNCCO1 Z1263820378 [0,2,0,0,0,0|1,0,0]=3 325 B8R1.2 N#CC1COCCN1 Z1198234963 [0,2,0,0,0,0|1,0,0]=3 326 B8R1.2 N#CC1CSCCO1 Z1356110445 [0,2,0,0,0,0|1,0,0]=3 327 B8R1.2 N#CC1CSCCS1 Z1201618343 [0,2,0,0,0,0|1,1,0]=4 328 B8R1.2 N#CN1CCOCC1 Z1255457411 [0,2,0,0,0,0|1,0,0]=3 329 B8R1.2 NCC1=CCCCC1 Z2230911155 [0,2,0,0,0,0|1,0,1]=4 330 B8R1.2 NCC1=CCCOC1 Z2096659348 [0,2,0,0,0,0|0,0,2]=4 331 B8R1.2 NCC1=CCOCC1 Z2234185641 [0,2,0,0,0,0|0,0,2]=4 332 B8R1.2 NCC1CCCCC1 Z235354645 [0,2,0,0,0,0|1,0,0]=3 333 B8R1.2 NCC1CCCCO1 Z839575544 [0,2,0,0,0,0|0,0,0]=2 334 B8R1.2 NCC1CCCCS1 Z1318217220 [0,2,0,0,0,0|0,1,0]=3 335 B8R1.2 NCC1CCOCC1 Z440605454 [0,2,0,0,0,0|0,0,0]=2 336 B8R1.2 NCC1CCOCO1 Z1431005851 [0,2,0,0,0,0|1,0,0]=3 337 B8R1.2 NCC1COCCN1 Z2768165249 [0,2,0,0,0,0|1,0,0]=3 338 B8R1.2 NCC1CSCCN1 Z1203585142 [0,2,0,0,0,0|1,1,0]=4 339 B8R1.2 NCC1CSCCS1 Z1198167851 [0,2,0,0,0,0|1,1,0]=4 340 B8R1.2 NC[C@H]1CCCNC1 Z2686452674 [0,2,0,0,0,0|1,0,0]=3 341 B8R1.2 NOC1CCCCO1 Z968560364 [0,2,0,0,0,0|0,0,0]=2 342 B8R1.2 O=CC1=CCCCC1 Z1190318865 [0,2,0,0,0,0|1,0,1]=4 343 B8R1.2 O=CC1=CCCOC1 Z979787886 [0,2,0,0,0,0|0,0,2]=4 344 B8R1.2 O=CC1=CCOCC1 Z1511760351 [0,2,0,0,0,0|0,0,2]=4 345 B8R1.2 O=CC1=COCCC1 Z432415080 [0,2,0,0,0,0|0,0,2]=4 346 B8R1.2 O=CC1CC=CCC1 Z57936862 [0,2,0,0,0,0|1,0,1]=4 347 B8R1.2 O=CC1CCC=CO1 Z600389890 [0,2,0,0,0,0|0,0,2]=4 348 B8R1.2 O=CC1CCCCC1 Z104478974 [0,2,0,0,0,0|1,0,0]=3 349 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,2,0,0,0,0|0,0,0]=2 350 B8R1.2 O=CC1CCCOC1 Z1065877672 [0,2,0,0,0,0|0,0,0]=2 351 B8R1.2 O=CC1CCCSC1 Z1255489365 [0,2,0,0,0,0|0,1,0]=3 352 B8R1.2 O=CC1CCOCC1 Z979759508 [0,2,0,0,0,0|0,0,0]=2 353 B8R1.2 O=CC1CCSCC1 Z1201622265 [0,2,0,0,0,0|0,1,0]=3 354 B8R1.2 O=CN1CCCCC1 Z1255415437 [0,2,0,0,0,0|1,0,0]=3 355 B8R1.2 O=CN1CCNCC1 Z104479110 [0,2,0,0,0,0|2,0,0]=4 356 B8R1.2 O=CN1CCOCC1 Z295197308 [0,2,0,0,0,0|1,0,0]=3 357 B8R1.2 O=NN1CCCCC1 Z1198147906 [0,2,0,0,0,0|1,0,0]=3 358 B8R1.2 O=NN1CCNCC1 Z1198149478 [0,2,0,0,0,0|2,0,0]=4 359 B8R1.2 O=NN1CCOCC1 Z1255360497 [0,2,0,0,0,0|1,0,0]=3 360 B8R1.2 O=NN1CCSCC1 Z1198157610 [0,2,0,0,0,0|1,1,0]=4 361 B8R1.2 OCC1CC=CCC1 Z104476102 [0,2,0,0,0,0|1,0,1]=4 362 B8R1.2 OCC1CCCCC1 Z104503428 [0,2,0,0,0,0|1,0,0]=3 363 B8R1.2 OCC1CCCCN1 Z104476610 [0,2,0,0,0,0|1,0,0]=3 364 B8R1.2 OCC1CCCCO1 Z104479808 [0,2,0,0,0,0|0,0,0]=2 365 B8R1.2 OCC1CCCNC1 Z104479614 [0,2,0,0,0,0|1,0,0]=3 366 B8R1.2 OCC1CCCOC1 Z445213352 [0,2,0,0,0,0|0,0,0]=2 367 B8R1.2 OCC1CCNCC1 Z380864362 [0,2,0,0,0,0|1,0,0]=3 368 B8R1.2 OCC1CCOCC1 Z979753218 [0,2,0,0,0,0|0,0,0]=2 369 B8R1.2 OCC1CCSCC1 Z1198266791 [0,2,0,0,0,0|0,1,0]=3 370 B8R1.2 OCC1CNCCO1 Z1235945999 [0,2,0,0,0,0|1,0,0]=3 371 B8R1.2 OCC1COCCN1 Z2513335525 [0,2,0,0,0,0|1,0,0]=3 372 B8R1.2 OCC1COCCO1 Z1020816972 [0,2,0,0,0,0|1,0,0]=3 373 B8R1.2 OCC1CSCCN1 Z1203733048 [0,2,0,0,0,0|1,1,0]=4 374 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [0,2,0,0,0,0|1,0,0]=3 375 B8R1.2 ON=C1CCCCC1 Z49568468 [0,2,0,0,0,0|1,0,0]=3 376 B8R1.2 [C-]#[N+]C1CCOCC1 Z1725967213 [0,2,0,0,0,0|0,0,0]=2 377 B8R1.3 CC1=CCC(CC1)N Z3857655203 [0,2,0,0,0,0|1,0,1]=4 378 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,2,0,0,0,0|1,0,0]=3 379 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,2,0,0,0,0|1,0,1]=4 380 B8R1.3 CC1CCC(CC1)O Z104476106 [0,2,0,0,0,0|1,0,0]=3 381 B8R1.3 CC1CCC(CN1)N Z3544167688 [0,2,0,0,0,0|1,0,0]=3 382 B8R1.3 CC1CCC(CN1)O Z2350906968 [0,2,0,0,0,0|1,0,0]=3 383 B8R1.3 CC1CCC(CO1)O Z1898581838 [0,2,0,0,0,0|0,0,0]=2 384 B8R1.3 CC1CNC(CN1)C Z1255523274 [0,2,0,0,0,0|2,0,0]=4 385 B8R1.3 CC1COC(CN1)C Z327218388 [0,2,0,0,0,0|1,0,0]=3 386 B8R1.3 CN1CCC(CC1)N Z89283296 [0,2,0,0,0,0|1,0,0]=3 387 B8R1.3 C[C@@H]1CC[C@@H](CN1)O Z2309899176 [0,2,0,0,0,0|1,0,0]=3 388 B8R1.3 C[C@@H]1CC[C@H](CN1)O Z2327179252 [0,2,0,0,0,0|1,0,0]=3 389 B8R1.3 C[C@H]1CC[C@@H](CC1)N Z1150306734 [0,2,0,0,0,0|1,0,0]=3 390 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,2,0,0,0,0|1,0,0]=3 391 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,2,0,0,0,0|1,0,1]=4 392 B8R1.3 NC1CCC(CC1)N Z104477550 [0,2,0,0,0,0|1,0,0]=3 393 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,2,0,0,0,0|1,0,1]=4 394 B8R1.3 O=C1CCS(=O)CC1 Z826531086 [0,2,0,0,0,0|0,1,1]=4 395 B8R1.3 OC1CCC(CC1)O Z1178486717 [0,2,0,0,0,0|1,0,0]=3 396 B8R1.4 CC1=CC(CCC1)N Z3895215954 [0,2,0,0,0,0|1,0,1]=4 397 B8R1.4 CC1=CC(CCC1)O Z1255423437 [0,2,0,0,0,0|1,0,1]=4 398 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,2,0,0,0,0|1,0,1]=4 399 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,2,0,0,0,0|0,0,1]=3 400 B8R1.4 CC1CC(CCN1)N Z3950506166 [0,2,0,0,0,0|1,0,0]=3 401 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,2,0,0,0,0|1,0,0]=3 402 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,2,0,0,0,0|1,0,1]=4 403 B8R1.4 CC1CCCC(C1)N Z367450918 [0,2,0,0,0,0|1,0,0]=3 404 B8R1.4 CC1CCCC(N1)C Z104474330 [0,2,0,0,0,0|1,0,0]=3 405 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,2,0,0,0,0|1,0,1]=4 406 B8R1.4 CC1CN(CCN1)C Z1162470821 [0,2,0,0,0,0|2,0,0]=4 407 B8R1.4 CC1CNCC(C1)C Z104474332 [0,2,0,0,0,0|1,0,0]=3 408 B8R1.4 CC1CNCC(C1)O Z2255082098 [0,2,0,0,0,0|1,0,0]=3 409 B8R1.4 CC1CNCC(N1)C Z916970166 [0,2,0,0,0,0|2,0,0]=4 410 B8R1.4 CC1CNCC(O1)C Z104472602 [0,2,0,0,0,0|1,0,0]=3 411 B8R1.4 CC1CNCC(S1)C Z855784294 [0,2,0,0,0,0|1,1,0]=4 412 B8R1.4 CC1COCC(N1)C Z1255523283 [0,2,0,0,0,0|1,0,0]=3 413 B8R1.4 CC1CS(=O)CCN1 Z1227754708 [0,2,0,0,0,0|1,1,0]=4 414 B8R1.4 CN1CC(CCO1)O Z5948414894 [0,2,0,0,0,0|1,0,0]=3 415 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,2,0,0,0,0|1,0,1]=4 416 B8R1.4 CN1CCCC(C1)N Z600584196 [0,2,0,0,0,0|1,0,0]=3 417 B8R1.4 C[C@@H]1CCC[C@H](N1)C Z1925930354 [0,2,0,0,0,0|1,0,0]=3 418 B8R1.4 C[C@@H]1CCN[C@@H](C1)C Z2309899803 [0,2,0,0,0,0|1,0,0]=3 419 B8R1.4 C[C@@H]1CN(CCN1)C Z3379438692 [0,2,0,0,0,0|2,0,0]=4 420 B8R1.4 C[C@@H]1CNC[C@@H](C1)C Z2944520936 [0,2,0,0,0,0|1,0,0]=3 421 B8R1.4 C[C@@H]1CNC[C@@H](C1)O Z2301535259 [0,2,0,0,0,0|1,0,0]=3 422 B8R1.4 C[C@@H]1CNC[C@H](C1)O Z4073561603 [0,2,0,0,0,0|1,0,0]=3 423 B8R1.4 C[C@@H]1C[C@@H](CCN1)O Z2568671386 [0,2,0,0,0,0|1,0,0]=3 424 B8R1.4 C[C@@H]1C[C@H](CCO1)N Z4121905902 [0,2,0,0,0,0|0,0,0]=2 425 B8R1.4 C[C@H]1CCC[C@H](N1)C Z1203730759 [0,2,0,0,0,0|1,0,0]=3 426 B8R1.4 C[C@H]1CNC[C@H](N1)C Z1203730758 [0,2,0,0,0,0|2,0,0]=4 427 B8R1.4 C[C@H]1CNC[C@H](O1)C Z1203730781 [0,2,0,0,0,0|1,0,0]=3 428 B8R1.4 F[C@@H]1CNC[C@@H](C1)F Z4085231057 [0,2,0,0,0,0|1,0,0]=3 429 B8R1.4 NC1CCCC(C1)O Z2724335128 [0,2,0,0,0,0|1,0,0]=3 430 B8R1.4 NC1CNCC(C1)O Z4465943159 [0,2,0,0,0,0|1,0,0]=3 431 B8R1.4 N[C@@H]1CNC[C@@H](C1)N Z3175310488 [0,2,0,0,0,0|1,0,0]=3 432 B8R1.4 N[C@H]1CCC[C@H](C1)O Z1203578804 [0,2,0,0,0,0|1,0,0]=3 433 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,2,0,0,0,0|1,0,1]=4 434 B8R1.4 O[C@@H]1CNC[C@@H](C1)F Z2525157521 [0,2,0,0,0,0|1,0,0]=3 435 B8R1.4 O[C@@H]1CNC[C@@H](C1)O Z1310777672 [0,2,0,0,0,0|1,0,0]=3 436 B8R1.5 CC1CCCCC1=O Z104477192 [0,2,0,0,0,0|1,0,0]=3 437 B8R1.5 CC1CCCCC1O Z104478402 [0,2,0,0,0,0|1,0,0]=3 438 B8R1.5 CC1CCCNC1=O Z1013766916 [0,2,0,0,0,0|1,0,1]=4 439 B8R1.5 CC1CCCNC1C Z959345762 [0,2,0,0,0,0|1,0,0]=3 440 B8R1.5 CC1CCNCC1N Z4351244628 [0,2,0,0,0,0|1,0,0]=3 441 B8R1.5 CC1CCOCC1N Z3035821495 [0,2,0,0,0,0|0,0,0]=2 442 B8R1.5 CC1CNCCC1=O Z1741969235 [0,2,0,0,0,0|1,0,1]=4 443 B8R1.5 CC1CNCCC1O Z1742055068 [0,2,0,0,0,0|1,0,0]=3 444 B8R1.5 CC1CNCCN1C Z2408371461 [0,2,0,0,0,0|2,0,0]=4 445 B8R1.5 CC1COCCC1=O Z1192338803 [0,2,0,0,0,0|0,0,1]=3 446 B8R1.5 CC1COCCC1N Z1868316869 [0,2,0,0,0,0|0,0,0]=2 447 B8R1.5 CC1COCCC1O Z1255390393 [0,2,0,0,0,0|0,0,0]=2 448 B8R1.5 CC1NCCCC1O Z2235409289 [0,2,0,0,0,0|1,0,0]=3 449 B8R1.5 CC1NCCNC1C Z1255428000 [0,2,0,0,0,0|2,0,0]=4 450 B8R1.5 CC1NCCOC1C Z1187835063 [0,2,0,0,0,0|1,0,0]=3 451 B8R1.5 CC1SCCCC1=O Z1359849054 [0,2,0,0,0,0|0,1,1]=4 452 B8R1.5 C[C@@H]1CC=CC[C@H]1N Z2935743479 [0,2,0,0,0,0|1,0,1]=4 453 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [0,2,0,0,0,0|1,0,0]=3 454 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [0,2,0,0,0,0|1,0,0]=3 455 B8R1.5 C[C@@H]1NCCC[C@@H]1N Z5041247026 [0,2,0,0,0,0|1,0,0]=3 456 B8R1.5 C[C@@H]1NCCC[C@@H]1O Z2568757708 [0,2,0,0,0,0|1,0,0]=3 457 B8R1.5 C[C@@H]1NCCO[C@@H]1C Z2412195478 [0,2,0,0,0,0|1,0,0]=3 458 B8R1.5 C[C@@H]1NCCO[C@H]1C Z4524514028 [0,2,0,0,0,0|1,0,0]=3 459 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [0,2,0,0,0,0|1,0,0]=3 460 B8R1.5 C[C@H]1CCCC[C@H]1N Z3244401660 [0,2,0,0,0,0|1,0,0]=3 461 B8R1.5 NC1CCCCC1=O Z2186882796 [0,2,0,0,0,0|1,0,0]=3 462 B8R1.5 NC1CCCCC1N Z104474510 [0,2,0,0,0,0|1,0,0]=3 463 B8R1.5 NC1CCCNC1=O Z993991168 [0,2,0,0,0,0|1,0,1]=4 464 B8R1.5 NC1CCOCC1O Z2688974552 [0,2,0,0,0,0|0,0,0]=2 465 B8R1.5 NN1CCCCC1=O Z976663668 [0,2,0,0,0,0|1,0,1]=4 466 B8R1.5 N[C@@H]1CCCC[C@@H]1F Z2724313717 [0,2,0,0,0,0|1,0,0]=3 467 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [0,2,0,0,0,0|1,0,0]=3 468 B8R1.5 N[C@@H]1COCC[C@H]1N Z4745609917 [0,2,0,0,0,0|0,0,0]=2 469 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,2,0,0,0,0|0,0,0]=2 470 B8R1.5 N[C@H]1CCCC[C@@H]1N Z1147137780 [0,2,0,0,0,0|1,0,0]=3 471 B8R1.5 N[C@H]1CCCC[C@H]1N Z1203577984 [0,2,0,0,0,0|1,0,0]=3 472 B8R1.5 O=C1CCCCC1=O Z90122041 [0,2,0,0,0,0|1,0,1]=4 473 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,2,0,0,0,0|1,0,0]=3 474 B8R1.5 O=C1NCCCC1F Z1203749514 [0,2,0,0,0,0|1,0,1]=4 475 B8R1.5 OC1CCCCC1O Z600453486 [0,2,0,0,0,0|1,0,0]=3 476 B8R1.5 OC1CCNCC1F Z1416168950 [0,2,0,0,0,0|1,0,0]=3 477 B8R1.5 OC1NCCCC1F Z3995268169 [0,2,0,0,0,0|1,0,0]=3 478 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [0,2,0,0,0,0|1,0,0]=3 479 B8R1.5 O[C@@H]1CNCC[C@H]1F Z2307343627 [0,2,0,0,0,0|1,0,0]=3 480 B8R1.5 O[C@H]1CONC[C@H]1O Z3073361071 [0,2,0,0,0,0|1,0,0]=3 481 B8R1.72 CC1(C=CCCC1)O Z1691624687 [0,2,0,0,0,0|1,0,1]=4 482 B8R1.72 CC1(CC=CCC1)N Z2286631083 [0,2,0,0,0,0|1,0,1]=4 483 B8R1.72 CC1(CCCCC1)N Z752370810 [0,2,0,0,0,0|1,0,0]=3 484 B8R1.72 CC1(CCCCC1)O Z449370586 [0,2,0,0,0,0|1,0,0]=3 485 B8R1.72 CC1(CCCCN1)C Z3243651326 [0,2,0,0,0,0|1,0,0]=3 486 B8R1.72 CC1(CCCNC1)C Z1182379631 [0,2,0,0,0,0|1,0,0]=3 487 B8R1.72 CC1(CCCOC1)N Z1582263087 [0,2,0,0,0,0|0,0,0]=2 488 B8R1.72 CC1(CCNCC1)C Z1198394222 [0,2,0,0,0,0|1,0,0]=3 489 B8R1.72 CC1(CCNCC1)F Z2738358281 [0,2,0,0,0,0|1,0,0]=3 490 B8R1.72 CC1(CCNCC1)O Z1416200885 [0,2,0,0,0,0|1,0,0]=3 491 B8R1.72 CC1(CNCCO1)C Z374049350 [0,2,0,0,0,0|1,0,0]=3 492 B8R1.72 CC1(CNCCS1)C Z1203749178 [0,2,0,0,0,0|1,1,0]=4 493 B8R1.72 CC1(COCOC1)C Z1198147441 [0,2,0,0,0,0|1,0,0]=3 494 B8R1.72 CC1(CSCCN1)C Z1203747824 [0,2,0,0,0,0|1,1,0]=4 495 B8R1.72 FC1(CCCNC1)F Z1203161889 [0,2,0,0,0,0|1,0,0]=3 496 B8R1.72 FC1(CCNCC1)F Z1741959990 [0,2,0,0,0,0|1,0,0]=3 497 B8R1.72 N=S1(=O)CCCCC1 Z2941529962 [0,2,0,0,0,0|0,1,0]=3 498 B8R1.72 N=S1(=O)CCNCC1 Z4658857975 [0,2,0,0,0,0|1,1,0]=4 499 B8R1.72 N=S1(=O)CCOCC1 Z1198235499 [0,2,0,0,0,0|1,0,0]=3 500 B8R1.72 O=S1(=O)CCCCN1 Z1201622708 [0,2,0,0,0,0|1,1,0]=4 501 B8R1.72 O=S1(=O)CCNCC1 Z1263529638 [0,2,0,0,0,0|1,1,0]=4 502 B8R1.72 O=S1(=O)CCOCC1 Z992614860 [0,2,0,0,0,0|1,0,0]=3 503 B6R1.3 ClCCC1CO1 Z1205657512 [0,0,1,1,0,0|1,0,0]=3 504 B6R1.3 NCCC1CC1 Z1267773823 [0,0,1,1,0,0|1,0,0]=3 505 B6R1.3 O=CCC1CC1 Z905066058 [0,0,1,1,0,0|0,0,2]=4 506 B6R1.3 OCCC1CC1 Z826525694 [0,0,1,1,0,0|0,0,0]=2 507 B6R1.4 CC1CCC1N Z2082999653 [0,0,1,1,0,0|1,0,0]=3 508 B6R1.6 CCC1CNC1 Z1203733931 [0,0,1,1,0,0|1,0,0]=3 509 B6R1.6 CNC1CCC1 Z1263820270 [0,0,1,1,0,0|1,0,0]=3 510 B6R1.6 COC1CNC1 Z1267773781 [0,0,1,1,0,0|1,0,0]=3 511 B6R1.6 N#CC1CCC1 Z406694072 [0,0,1,1,0,0|1,0,1]=4 512 B6R1.6 NCC1CCC1 Z381061564 [0,0,1,1,0,0|1,0,0]=3 513 B6R1.6 NCC1CNC1 Z1198274908 [0,0,1,1,0,0|2,0,0]=4 514 B6R1.6 O=CC1CCC1 Z1079442452 [0,0,1,1,0,0|0,0,2]=4 515 B6R1.8 CC1CC1C#N Z1079178904 [0,0,1,1,0,0|1,0,1]=4 516 B6R1.8 CC1CC1C=O Z1079442440 [0,0,1,1,0,0|0,0,2]=4 517 B6R1.8 CC1CC1CN Z415636622 [0,0,1,1,0,0|1,0,0]=3 518 B6R1.8 CC1CC1CO Z397587430 [0,0,1,1,0,0|0,0,0]=2 519 B6R1.8 CC1OC1CCl Z1205657581 [0,0,1,1,0,0|1,0,0]=3 520 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [0,0,1,1,0,0|0,0,2]=4 521 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [0,0,1,1,0,0|0,0,2]=4 522 B6R1.8 N[C@@H]1C[C@H]1CF Z3085640372 [0,0,1,1,0,0|2,0,0]=4 523 B8R2.22 C1CC2CNC2C1 Z372839324 [0,0,0,1,0,1|1,0,0]=3 524 B8R2.22 C1C[C@@H]2CC[C@@H]2N1 Z2568680274 [0,0,0,1,0,1|1,0,0]=3 525 B8R2.22 C1C[C@@H]2[C@H]1CNC2 Z2310727771 [0,0,0,1,0,1|1,0,0]=3 526 B8R2.25 C1=CCC2OC2C1 Z2375612263 [0,0,0,1,0,1|0,0,1]=3 527 B8R2.25 C1CC2CC2CN1 Z2568751757 [0,0,0,1,0,1|1,0,0]=3 528 B8R2.25 C1CC2OC2CO1 Z440605384 [0,0,0,1,0,1|0,0,0]=2 529 B8R2.25 C1CCC2OC2C1 Z239871664 [0,0,0,1,0,1|0,0,0]=2 530 B8R2.25 C1CNC2CC2C1 Z2429425564 [0,0,0,1,0,1|1,0,0]=3 531 B8R2.25 C1COC2CC2N1 Z2238336531 [0,0,0,1,0,1|0,0,0]=2 532 B8R2.2 C[C@@]12CNC[C@@H]1C2 Z2961068041 [0,1,0,1,0,0|1,0,0]=3 533 B8R2.2 C[C@]12CCC[C@H]1O2 Z4597543898 [0,1,0,1,0,0|0,0,0]=2 534 B8R2.2 NC12CSCC1C2 Z5976232934 [0,1,0,1,0,0|0,1,0]=3 535 B8R2.2 N[C@@]12CCC[C@@H]1C2 Z2896162962 [0,1,0,1,0,0|1,0,0]=3 536 B8R2.2 N[C@@]12COC[C@@H]1C2 Z2755982948 [0,1,0,1,0,0|0,0,0]=2 537 B8R2.5 NC1CC2C1CC2 Z4081406539 [0,1,0,1,0,0|1,0,0]=3 538 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,1,0,1,0,0|1,0,1]=4 539 B8R2.11 C[C@H]1[C@H]2[C@@H]1CNC2 Z2740752678 [0,1,0,1,0,0|1,0,0]=3 540 B8R2.11 NC1[C@@H]2[C@H]1CCC2 Z1891701563 [0,1,0,1,0,0|1,0,0]=3 541 B8R2.34 C1CC2CC1CN2 Z744843462 [0,1,0,1,0,0|1,0,0]=3 542 B8R2.34 C1CC2CCC1N2 Z235340117 [0,1,0,1,0,0|1,0,0]=3 543 B8R2.34 C1NC2CNC1C2 Z2466331627 [0,1,0,1,0,0|2,0,0]=4 544 B8R2.34 C1O[C@@H]2CN[C@H]1C2 Z1198157093 [0,1,0,1,0,0|1,0,0]=3 545 B8R2.38 N[C@@H]1CC[C@H]2[C@@H]1C2 Z5104202649 [0,1,0,1,0,0|1,0,0]=3 546 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.49 C1CCCNCCC1 Z104480232 [0,0,0,0,0,2|1,0,0]=3