0 B5R0.2 C#CCCCN Z1945700461 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 C#CCCNC Z3270794267 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C#CCNCC Z815264056 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 C/C=C/CCN Z1268152372 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.2 C/C=C/OCC Z281777810 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.2 C=C/C=C/CN Z3270208113 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.2 C=CCCC#N Z1219746591 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.2 C=CCCCN Z993058434 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 C=CCNCC Z2044769224 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.2 CC#CCCO Z1033337288 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.2 CC#CCNC Z2679312432 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.2 CCC#CCN Z4935566672 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.2 CCCCC=O Z104472992 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.2 CCCCCN Z104472246 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.2 CCCNCC Z138446288 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.2 CCNCC#N Z235583784 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.2 CCNCCF Z1198305484 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.2 CCNCCO Z1258992395 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.2 CCNOCC Z223690220 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.2 CCOCC#N Z295205412 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.2 CCOCCN Z271005962 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.2 CCOCCO Z104473122 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.2 CCSCCN Z3061111063 [0,0,0,0,0,0|2,1,1]=4 23 B5R0.2 CNCCCO Z104756980 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.2 CNCCOC Z1259162131 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.2 CNCCSC Z1398461959 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.2 COCCC#N Z277467992 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.2 COCCCO Z431517702 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.2 COCCOC Z104473014 [0,0,0,0,0,0|4,0,0]=4 29 B5R0.2 N#CCCCN Z1649677743 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.2 N#CCCCO Z385458622 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.2 NCCC#CBr Z4777809731 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.2 NCCCCF Z2177031126 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.2 NCCCCN Z104472592 [0,0,0,0,0,0|3,0,1]=4 34 B4R0.2 C#CCCN Z1267881669 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 C=NCC#N Z425450894 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 CCCC#N Z238878246 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.2 CCCCN Z104474314 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.2 CCCCO Z104473488 [1,0,0,0,0,0|0,0,2]=3 39 B4R0.2 CCCNN Z415728048 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.2 CNCC#N Z1262250834 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 COCC#N Z86023357 [1,0,0,0,0,0|1,0,2]=4 42 B4R0.2 COCCO Z104473522 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.2 CSCCO Z149154880 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.2 N#CCCN Z1895741700 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 NC/C=C/Cl Z2941400887 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.2 NCCCN Z104478068 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 NCCCO Z56771034 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.1 C#CCC(N)CC Z969111798 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.1 C=CCC(N)CC Z1981870426 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.1 C=CCC(N)CO Z1815149150 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.1 C=CCC(O)CC Z808662120 [0,1,0,0,0,0|2,0,0]=3 52 B6R0.1 CCC(C)CNC Z1266854907 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.1 CCC(C)N=C=S Z323038722 [0,1,0,0,0,0|1,1,1]=4 54 B6R0.1 CCC(N)CCO Z1258578227 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.1 CCC(N)COC Z825742260 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.1 CCC(O)CCN Z406342052 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.1 CCC(O)CCO Z1198157972 [0,1,0,0,0,0|1,0,2]=4 58 B6R0.1 CCCC(=O)CN Z1203579017 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 CCCC(=O)NO Z59181937 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.1 CCCC(C)C#N Z415654768 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.1 CCCC(C)NC Z394693580 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.1 CCCC(N)C#N Z398513448 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.1 CCCC(N)CC Z1642389626 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.1 CCCC(N)CN Z425861040 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.1 CCCC(O)CN Z419084742 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.1 CCCN(C)N=O Z1198147496 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.1 CCNC(C)CC Z2509351098 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.1 CCOC(=N)CC Z3033961910 [0,1,0,0,0,0|1,0,2]=4 69 B6R0.1 CCOC(C)CN Z844631802 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.4 C#CCCC(=O)O Z295890062 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.4 C#CCCC(C)O Z854048672 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.4 C#CCNC(=O)C Z220957448 [0,1,0,0,0,0|1,0,2]=4 73 B6R0.4 C#CCNC(=O)N Z198194920 [0,1,0,0,0,0|1,0,2]=4 74 B6R0.4 C#CCOC(=O)N Z1203578973 [0,1,0,0,0,0|0,0,2]=3 75 B6R0.4 C=CCCC(=O)C Z406376894 [0,1,0,0,0,0|1,0,2]=4 76 B6R0.4 C=CCCC(=O)O Z995028722 [0,1,0,0,0,0|1,0,2]=4 77 B6R0.4 C=CCCC(C)N Z3681295487 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.4 C=CCNC(=O)C Z32064466 [0,1,0,0,0,0|1,0,2]=4 79 B6R0.4 C=CCNC(=O)N Z56904662 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.4 C=CCNC(C)C Z607822478 [0,1,0,0,0,0|3,0,0]=4 81 B6R0.4 C=COCC(C)C Z916978390 [0,1,0,0,0,0|1,0,0]=2 82 B6R0.4 CC#CCC(C)N Z975788700 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.4 CC(=O)CCC#N Z1251352415 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.4 CC(=O)NCCCl Z57983106 [0,1,0,0,0,0|2,0,0]=3 85 B6R0.4 CC(=O)OCCN Z1973465551 [0,1,0,0,0,0|1,0,0]=2 86 B6R0.4 CC(C)CCCN Z992716898 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.4 CC(C)CN=C=S Z87001659 [0,1,0,0,0,0|1,1,1]=4 88 B6R0.4 CC(C)OCCN Z1688198421 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.4 CC(C)OCCO Z104478444 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.4 CC(N)CCCN Z2230911100 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.4 CC(N)CCCO Z1203578676 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.4 CC(O)CCCN Z1198178891 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,1,0,0,0,0|1,0,1]=3 94 B6R0.4 CCC#CC(=O)O Z1205493735 [0,1,0,0,0,0|1,0,1]=3 95 B6R0.4 CCCCB(O)O Z1147227739 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.4 CCCCC(=N)N Z1723418909 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.4 CCCCC(=O)N Z104476278 [0,1,0,0,0,0|1,0,0]=2 98 B6R0.4 CCCCC(=O)O Z104473312 [0,1,0,0,0,0|1,0,0]=2 99 B6R0.4 CCCCC(C)N Z3300506318 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.4 CCCNC(=O)C Z33030314 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.4 CCCNC(=S)N Z56930715 [0,1,0,0,0,0|1,1,0]=3 102 B6R0.4 CCCOC(=O)N Z1198148877 [0,1,0,0,0,0|0,0,0]=1 103 B6R0.4 CCNCC(=O)N Z1459435506 [0,1,0,0,0,0|2,0,0]=3 104 B6R0.4 CCNCC(=O)O Z744593094 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.4 CCNCC(C)C Z380844664 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.4 CCNCC(C)O Z138692768 [0,1,0,0,0,0|2,0,1]=4 107 B6R0.4 CCOCC(=O)O Z104495232 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.4 CCOCC(C)N Z839575202 [0,1,0,0,0,0|1,0,1]=3 109 B6R0.4 CCSCC(C)N Z1203641186 [0,1,0,0,0,0|1,1,1]=4 110 B6R0.4 CNCCC(=O)C Z1536943318 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.4 CNCCC(C)C Z607822512 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.4 CNCCC(C)O Z1203731868 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.4 COCCC(=N)N Z1592042674 [0,1,0,0,0,0|3,0,0]=4 114 B6R0.4 COCCC(=O)C Z362119682 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.4 COCCC(=O)N Z394696458 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.4 COCCC(=O)O Z285184634 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.4 COCCC(C)N Z361881180 [0,1,0,0,0,0|3,0,0]=4 118 B6R0.4 COCCC(C)O Z818738042 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.4 CS/C=C/C(=O)O Z1868430572 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.4 CSCCC(=N)N Z1266823407 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.4 CSCCC(=O)O Z54719251 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.4 N#CCCC(=O)N Z57160408 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.4 N#CCNC(=O)N Z600498544 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.4 N=C(N)NCCN Z2235813444 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.4 N=C(N)NCCO Z911465228 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.4 N=C(N)SCCO Z57111959 [0,1,0,0,0,0|2,1,0]=4 127 B6R0.4 NC(=O)CCCO Z1203578394 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.4 NC(=O)NCCF Z1203582184 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.4 NC(=O)OCCO Z1198158440 [0,1,0,0,0,0|1,0,0]=2 130 B6R0.4 NCCCC(=O)N Z398513418 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.4 NCCCC(=O)O Z104475620 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.4 NCCCS(=O)O Z1203579399 [0,1,0,0,0,0|3,0,0]=4 133 B6R0.4 NCCNC(=O)N Z1268152381 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.4 NCCOC(=O)N Z1587257433 [0,1,0,0,0,0|1,0,0]=2 135 B6R0.4 O=C(O)/C=C/CO Z3178016098 [0,1,0,0,0,0|2,0,1]=4 136 B6R0.4 O=C(O)C#CCO Z1198169479 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.4 O=C(O)CCCS Z147642510 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.6 C#CCCCCN Z1431002697 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.6 C#CCNCCC Z815264308 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.6 C=C/C=C/CCN Z2786180930 [0,1,0,0,0,0|2,0,1]=4 141 B6R0.6 C=CCCCCN Z1198160046 [0,1,0,0,0,0|2,0,0]=3 142 B6R0.6 C=CCNCCO Z137800938 [0,1,0,0,0,0|3,0,0]=4 143 B6R0.6 C=CCOCCN Z976678988 [0,1,0,0,0,0|2,0,0]=3 144 B6R0.6 C=CCSCCN Z1262237162 [0,1,0,0,0,0|2,1,0]=4 145 B6R0.6 CCCCCCO Z104473568 [0,1,0,0,0,0|1,0,2]=4 146 B6R0.6 CCCCN=C=S Z104473876 [0,1,0,0,0,0|1,1,1]=4 147 B6R0.6 CCCNCC#N Z235653524 [0,1,0,0,0,0|2,0,1]=4 148 B6R0.6 CCCOCCN Z4449042604 [0,1,0,0,0,0|1,0,1]=3 149 B6R0.6 CCNCCCF Z1203824341 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.6 CCNCCCO Z138139914 [0,1,0,0,0,0|1,0,2]=4 151 B6R0.6 CCNCCSC Z2412193591 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.6 CCOCCCO Z1080358490 [0,1,0,0,0,0|1,0,1]=3 153 B6R0.6 CNCCCCN Z2939606540 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.6 CNCCCCO Z839096662 [0,1,0,0,0,0|1,0,2]=4 155 B6R0.6 CNCCCOC Z137847932 [0,1,0,0,0,0|3,0,0]=4 156 B6R0.6 CNCCCSC Z102766932 [0,1,0,0,0,0|3,0,0]=4 157 B6R0.6 COCCCC#N Z295205400 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.6 COCCCCO Z431605254 [0,1,0,0,0,0|1,0,2]=4 159 B6R0.6 COCCN=C=O Z1094719556 [0,1,0,0,0,0|1,0,1]=3 160 B6R0.6 CONCCCN Z2492414217 [0,1,0,0,0,0|3,0,0]=4 161 B6R0.6 N#CCCCCN Z823279224 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.6 N#CCCCCO Z431952150 [0,1,0,0,0,0|2,0,1]=4 163 B6R0.6 NCCCCCF Z3524160733 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.6 NCCCCCN Z951173830 [0,1,0,0,0,0|2,0,1]=4 165 B6R0.6 O=CCCCC=O Z57127529 [0,1,0,0,0,0|1,0,1]=3 166 B6R1.1 C1=CCCCC1 Z104474726 [0,0,0,1,0,0|2,0,0]=3 167 B6R1.1 C1=CCNCC1 Z1623864216 [0,0,0,1,0,0|3,0,0]=4 168 B6R1.1 C1=NCCCN1 Z1198163087 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.1 C1CCONC1 Z1787355355 [0,0,0,1,0,0|2,0,0]=3 170 B6R1.1 C1COCCN1 Z57127568 [0,0,0,1,0,0|2,0,1]=4 171 B6R1.2 C=C1CCNC1 Z3019986853 [0,0,0,1,0,0|3,0,0]=4 172 B6R1.2 CC1=CCNC1 Z1203734447 [0,0,0,1,0,0|3,0,0]=4 173 B6R1.2 CC1=COC=N1 Z1198313432 [0,0,0,1,0,0|1,0,2]=4 174 B6R1.2 CC1=NCCN1 Z204020260 [0,0,0,1,0,0|3,0,0]=4 175 B6R1.2 CC1=NCCS1 Z104480256 [0,0,0,1,0,0|2,1,0]=4 176 B6R1.2 CC1CCCN1 Z1274177652 [0,0,0,1,0,0|2,0,1]=4 177 B6R1.2 CC1CCNC1 Z729771722 [0,0,0,1,0,0|2,0,1]=4 178 B6R1.2 CC1CNNC1 Z4953319766 [0,0,0,1,0,0|3,0,0]=4 179 B6R1.2 N=C1CCCN1 Z204007506 [0,0,0,1,0,0|2,0,0]=3 180 B6R1.2 NC1=NCCO1 Z336087916 [0,0,0,1,0,0|2,0,0]=3 181 B6R1.2 NC1=NNCC1 Z1569708704 [0,0,0,1,0,0|3,0,0]=4 182 B6R1.2 NC1C=CCC1 Z2679312470 [0,0,0,1,0,0|3,0,0]=4 183 B6R1.2 NC1CC=CC1 Z1416200863 [0,0,0,1,0,0|3,0,0]=4 184 B6R1.2 NC1CCOC1 Z802544198 [0,0,0,1,0,0|2,0,1]=4 185 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [0,0,0,1,0,0|3,0,0]=4 186 B6R1.2 O=C1C=CCO1 Z1219048777 [0,0,0,1,0,0|0,0,2]=3 187 B6R1.2 O=C1CCCN1 Z104472846 [0,0,0,1,0,0|1,0,0]=2 188 B6R1.2 O=C1CCNC1 Z1741976513 [0,0,0,1,0,0|2,0,0]=3 189 B6R1.2 O=C1CCNN1 Z2935001239 [0,0,0,1,0,0|2,0,0]=3 190 B6R1.2 O=C1CCSC1 Z104495638 [0,0,0,1,0,0|2,0,0]=3 191 B6R1.2 O=C1NCCN1 Z104494954 [0,0,0,1,0,0|2,0,0]=3 192 B6R1.2 O=C1NCCO1 Z104474784 [0,0,0,1,0,0|1,0,0]=2 193 B6R1.2 O=C1NCCS1 Z55928860 [0,0,0,1,0,0|1,1,0]=3 194 B6R1.2 O=C1OCCO1 Z1172235744 [0,0,0,1,0,0|1,0,0]=2 195 B6R1.2 O=S1CCCC1 Z278052312 [0,0,0,1,0,0|2,0,0]=3 196 B6R1.2 OC1C=CCC1 Z1255485846 [0,0,0,1,0,0|3,0,0]=4 197 B6R1.2 OC1CCOC1 Z1124541349 [0,0,0,1,0,0|2,0,1]=4 198 B6R1.2 SC1=NCCN1 Z104497392 [0,0,0,1,0,0|2,1,0]=4 199 B6R1.3 NCCC1CC1 Z1267773823 [0,0,0,1,0,0|2,0,1]=4 200 B6R1.3 O=C=NC1CC1 Z316172632 [0,0,0,1,0,0|1,0,1]=3 201 B6R1.3 O=CCC1CC1 Z905066058 [0,0,0,1,0,0|1,0,0]=2 202 B6R1.3 OCCC1CC1 Z826525694 [0,0,0,1,0,0|1,0,2]=4 203 B6R1.4 CC1CCC1N Z2082999653 [0,0,0,1,0,0|2,0,1]=4 204 B6R1.6 CCC1CNC1 Z1203733931 [0,0,0,1,0,0|3,0,0]=4 205 B6R1.6 CNC1CCC1 Z1263820270 [0,0,0,1,0,0|3,0,0]=4 206 B6R1.6 N#CC1CCC1 Z406694072 [0,0,0,1,0,0|2,0,1]=4 207 B6R1.6 NCC1CCC1 Z381061564 [0,0,0,1,0,0|2,0,1]=4 208 B6R1.6 O=CC1CCC1 Z1079442452 [0,0,0,1,0,0|1,0,0]=2 209 B6R1.8 C=C1CC1CN Z3454021936 [0,0,0,1,0,0|3,0,0]=4 210 B6R1.8 CC1CC1C#N Z1079178904 [0,0,0,1,0,0|2,0,1]=4 211 B6R1.8 CC1CC1C=O Z1079442440 [0,0,0,1,0,0|1,0,0]=2 212 B6R1.8 CC1CC1CN Z415636622 [0,0,0,1,0,0|2,0,1]=4 213 B6R1.8 CC1CC1CO Z397587430 [0,0,0,1,0,0|1,0,2]=4 214 B6R1.8 CC1OC1CCl Z1205657581 [0,0,0,1,0,0|2,0,1]=4 215 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [0,0,0,1,0,0|1,0,0]=2 216 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [0,0,0,1,0,0|1,0,0]=2 217 B6R1.8 O=CC1CC1Cl Z1262480603 [0,0,0,1,0,0|2,0,0]=3 218 B6R1.8 O=C[C@@H]1C[C@H]1Cl Z4541248007 [0,0,0,1,0,0|2,0,0]=3 219 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|0,0,2]=4 220 B3R0.1 NCCF Z1966571823 [2,0,0,0,0,0|2,0,0]=4 221 B3R0.1 NCCN Z104473714 [2,0,0,0,0,0|2,0,0]=4 222 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|1,0,0]=3 223 B3R0.1 NCCS Z104474494 [2,0,0,0,0,0|1,1,0]=4 224 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|1,0,0]=3 225 B5R0.1 C#CCC(=O)O Z295890060 [1,1,0,0,0,0|0,0,2]=4 226 B5R0.1 C#CCC(C)N Z3490223481 [1,1,0,0,0,0|1,0,1]=4 227 B5R0.1 C#CCC(C)O Z969111576 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.1 C/C=C/C(=O)O Z104476026 [1,1,0,0,0,0|0,0,2]=4 229 B5R0.1 C=C(C)CCN Z1203582475 [1,1,0,0,0,0|2,0,0]=4 230 B5R0.1 C=CCC(C)N Z1269638561 [1,1,0,0,0,0|1,0,0]=3 231 B5R0.1 CC#CC(=O)N Z1203579284 [1,1,0,0,0,0|0,0,2]=4 232 B5R0.1 CC(=O)CCO Z906206900 [1,1,0,0,0,0|1,0,0]=3 233 B5R0.1 CC(C)CC#N Z104473272 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.1 CC(C)CCO Z104473558 [1,1,0,0,0,0|0,0,2]=4 235 B5R0.1 CC(C)NC=O Z1201617634 [1,1,0,0,0,0|1,0,0]=3 236 B5R0.1 CC(N)CC#N Z1267773800 [1,1,0,0,0,0|1,0,1]=4 237 B5R0.1 CC(N)CCO Z385458430 [1,1,0,0,0,0|0,0,2]=4 238 B5R0.1 CC(O)CC#N Z847151284 [1,1,0,0,0,0|1,0,1]=4 239 B5R0.1 CC(O)CCN Z802904114 [1,1,0,0,0,0|1,0,1]=4 240 B5R0.1 CC(O)CCO Z104473530 [1,1,0,0,0,0|0,0,2]=4 241 B5R0.1 CCCC(=N)N Z1198394172 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.1 CCCC(=O)N Z33546461 [1,1,0,0,0,0|0,0,0]=2 243 B5R0.1 CCCC(=O)O Z104495380 [1,1,0,0,0,0|0,0,0]=2 244 B5R0.1 CCCC(C)N Z2417819590 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.1 CCNC(=N)N Z2574931373 [1,1,0,0,0,0|2,0,0]=4 246 B5R0.1 CCOC(=N)N Z1741973543 [1,1,0,0,0,0|1,0,0]=3 247 B5R0.1 CCOC(=O)N Z33546369 [1,1,0,0,0,0|0,0,0]=2 248 B5R0.1 CCSC(=N)N Z1708092306 [1,1,0,0,0,0|1,1,0]=4 249 B5R0.1 CNCC(=O)N Z415678308 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.1 CNCC(=O)O Z104480276 [1,1,0,0,0,0|1,0,0]=3 251 B5R0.1 CNCC(C)C Z951367674 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.1 CNCC(C)N Z1413780485 [1,1,0,0,0,0|1,0,1]=4 253 B5R0.1 CNCC(C)O Z138692700 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.1 COCC(=N)N Z1258620054 [1,1,0,0,0,0|2,0,0]=4 255 B5R0.1 COCC(=O)N Z33546778 [1,1,0,0,0,0|1,0,0]=3 256 B5R0.1 COCC(=O)O Z104477404 [1,1,0,0,0,0|1,0,0]=3 257 B5R0.1 COCC(C)O Z825742124 [1,1,0,0,0,0|0,0,1]=3 258 B5R0.1 COC[C@@H](C)N Z1270482298 [1,1,0,0,0,0|0,0,1]=3 259 B5R0.1 COC[C@H](C)N Z1270502316 [1,1,0,0,0,0|0,0,1]=3 260 B5R0.1 CS(=O)CCN Z802568576 [1,1,0,0,0,0|1,1,0]=4 261 B5R0.1 CSCC(=N)N Z1459934800 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.1 CSCC(=O)N Z33545668 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.1 CSCC(C)O Z732208306 [1,1,0,0,0,0|0,1,1]=4 264 B5R0.1 CSCS(=O)C Z1255438413 [1,1,0,0,0,0|1,1,0]=4 265 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,1,0,0,0,0|0,0,2]=4 266 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.1 N#CCC(=O)N Z56896153 [1,1,0,0,0,0|1,0,1]=4 268 B5R0.1 N#CCC(=O)O Z104476112 [1,1,0,0,0,0|1,0,1]=4 269 B5R0.1 N=C(N)CCO Z1198394167 [1,1,0,0,0,0|2,0,0]=4 270 B5R0.1 NC(=O)CCO Z431951940 [1,1,0,0,0,0|1,0,0]=3 271 B5R0.1 NCCC(=O)N Z415728050 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.1 NCCC(=O)O Z57127544 [1,1,0,0,0,0|1,0,0]=3 273 B5R0.1 NOCC(=O)O Z90662171 [1,1,0,0,0,0|2,0,0]=4 274 B5R0.1 O=C(O)CCCl Z203045320 [1,1,0,0,0,0|1,0,0]=3 275 B5R0.1 O=C(O)CCS Z104474322 [1,1,0,0,0,0|1,0,0]=3 276 B5R0.1 O=C(O)CNO Z1205493750 [1,1,0,0,0,0|2,0,0]=4 277 B5R0.3 C=CC(N)CO Z2146514374 [1,1,0,0,0,0|2,0,0]=4 278 B5R0.3 CCC(C)CN Z2350903977 [1,1,0,0,0,0|1,0,1]=4 279 B5R0.3 CCC(C)NC Z594038230 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.3 CCC(N)C#N Z445129502 [1,1,0,0,0,0|1,0,1]=4 281 B5R0.3 CCC(N)CN Z1263714131 [1,1,0,0,0,0|1,0,1]=4 282 B5R0.3 CCC(N)CO Z104474862 [1,1,0,0,0,0|0,0,2]=4 283 B5R0.3 CCC(O)C#N Z419078094 [1,1,0,0,0,0|1,0,1]=4 284 B5R0.3 CCC(O)CN Z419084746 [1,1,0,0,0,0|1,0,1]=4 285 B5R0.3 CCC(O)CO Z600450538 [1,1,0,0,0,0|0,0,2]=4 286 B5R0.3 CCN(C)C=O Z1258520870 [1,1,0,0,0,0|1,0,0]=3 287 B5R0.3 CCN(C)N=O Z1198147516 [1,1,0,0,0,0|2,0,0]=4 288 B5R0.3 CC[C@@H](N)C#N Z1203638467 [1,1,0,0,0,0|1,0,1]=4 289 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,1,0,0,0,0|0,0,2]=4 290 B5R0.3 CC[C@H](N)CO Z1203162358 [1,1,0,0,0,0|0,0,2]=4 291 B5R0.3 COC(C)CN Z1795817756 [1,1,0,0,0,0|1,0,1]=4 292 B5R0.3 COC(C)CO Z1198150719 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,2,0,0,0,0|1,0,0]=3 297 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,2,0,0,0,0|1,0,0]=3 298 B7R0.2 CCC(C)NC(=S)N Z56907642 [0,2,0,0,0,0|1,1,0]=4 299 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,2,0,0,0,0|1,0,0]=3 300 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,2,0,0,0,0|2,0,0]=4 301 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,2,0,0,0,0|2,0,0]=4 302 B7R0.2 COC(C)CC(=O)O Z431536426 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,2,0,0,0,0|2,0,0]=4 306 B7R0.3 C#CC(=O)NCCN Z3038435158 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.3 C#CCOC(=O)CN Z3401786508 [0,2,0,0,0,0|0,0,2]=4 308 B7R0.3 C/C=C/CC(N)CO Z1718361642 [0,2,0,0,0,0|2,0,0]=4 309 B7R0.3 C=CC(=O)NOCC Z1251326848 [0,2,0,0,0,0|2,0,0]=4 310 B7R0.3 CC/C=C/C(=O)NC Z404206580 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.3 CCC(=O)NCCN Z1455674775 [0,2,0,0,0,0|2,0,0]=4 312 B7R0.3 CCCCC(=O)CC Z406378226 [0,2,0,0,0,0|1,0,0]=3 313 B7R0.3 CCCCN(C)N=O Z1198149449 [0,2,0,0,0,0|2,0,0]=4 314 B7R0.3 CCCNC(=O)CC Z33030426 [0,2,0,0,0,0|1,0,0]=3 315 B7R0.3 CCCNC(=S)NN Z56985754 [0,2,0,0,0,0|1,1,0]=4 316 B7R0.3 CCNCC(=O)NC Z55849445 [0,2,0,0,0,0|2,0,0]=4 317 B7R0.3 CCNCC(=O)OC Z138464962 [0,2,0,0,0,0|2,0,0]=4 318 B7R0.3 CCOCC(O)CN Z271097110 [0,2,0,0,0,0|1,0,1]=4 319 B7R0.3 CCOCC(O)CO Z1178483452 [0,2,0,0,0,0|1,0,1]=4 320 B7R0.3 CN(C=O)CCC#N Z1258520788 [0,2,0,0,0,0|1,0,1]=4 321 B7R0.3 CNC(=O)CCCN Z451350656 [0,2,0,0,0,0|2,0,0]=4 322 B7R0.3 CNC(=O)NCCO Z177090556 [0,2,0,0,0,0|2,0,0]=4 323 B7R0.3 CNC(=O)OCCO Z1198150357 [0,2,0,0,0,0|1,0,0]=3 324 B7R0.3 CNCCC(=O)NC Z852427258 [0,2,0,0,0,0|2,0,0]=4 325 B7R0.3 CNCCC(=O)OC Z140562916 [0,2,0,0,0,0|2,0,0]=4 326 B7R0.3 COC(=O)NCCN Z2237317343 [0,2,0,0,0,0|2,0,0]=4 327 B7R0.3 NCC(=O)NCCO Z401366912 [0,2,0,0,0,0|2,0,0]=4 328 B7R0.3 NCCCC(=O)NO Z3488307998 [0,2,0,0,0,0|2,0,0]=4 329 B7R0.3 O=C(CO)NCCO Z1203732626 [0,2,0,0,0,0|2,0,0]=4 330 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,2,0,0,0,0|2,0,0]=4 331 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,2,0,0,0,0|1,0,0]=3 332 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,2,0,0,0,0|1,0,0]=3 333 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,2,0,0,0,0|1,0,0]=3 334 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,2,0,0,0,0|1,0,0]=3 335 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,2,0,0,0,0|2,0,0]=4 336 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,2,0,0,0,0|2,0,0]=4 337 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,2,0,0,0,0|2,0,0]=4 339 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,2,0,0,0,0|2,0,0]=4 340 B7R0.5 COCC(C)C(=O)O Z431541094 [0,2,0,0,0,0|2,0,0]=4 341 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,2,0,0,0,0|2,0,0]=4 343 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,2,0,0,0,0|2,0,0]=4 344 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,2,0,0,0,0|2,0,0]=4 345 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,2,0,0,0,0|2,0,0]=4 346 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,2,0,0,0,0|2,0,0]=4 347 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,2,0,0,0,0|2,0,0]=4 348 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,2,0,0,0,0|2,0,0]=4 349 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,2,0,0,0,0|2,0,0]=4 350 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,2,0,0,0,0|2,0,0]=4 351 B7R0.7 CCOC(C)OCC Z104476998 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.12 O=CNC(CO)CO Z1259117052 [0,2,0,0,0,0|2,0,0]=4 353 B7R0.4 C#CCCNC(=O)C Z1188389866 [0,2,0,0,0,0|1,0,1]=4 354 B7R0.4 C#CCCNC(=O)N Z1188370499 [0,2,0,0,0,0|1,0,1]=4 355 B7R0.4 C#CCCOC(=O)N Z1509495134 [0,2,0,0,0,0|0,0,1]=3 356 B7R0.4 C#CCOCC(=O)O Z362807246 [0,2,0,0,0,0|0,0,2]=4 357 B7R0.4 C=CCCCC(=O)O Z1205493561 [0,2,0,0,0,0|1,0,1]=4 358 B7R0.4 C=CCOCC(=O)O Z362807794 [0,2,0,0,0,0|0,0,2]=4 359 B7R0.4 CC#CCCC(=O)O Z1205493674 [0,2,0,0,0,0|1,0,1]=4 360 B7R0.4 CC(=O)NCCCN Z295405102 [0,2,0,0,0,0|1,0,0]=3 361 B7R0.4 CC(=O)NCCCO Z353570744 [0,2,0,0,0,0|1,0,0]=3 362 B7R0.4 CC(C)C/C=C/CO Z1813145997 [0,2,0,0,0,0|1,0,1]=4 363 B7R0.4 CC(C)COCCN Z594038266 [0,2,0,0,0,0|1,0,1]=4 364 B7R0.4 CC(C)OCCCN Z2677507870 [0,2,0,0,0,0|1,0,1]=4 365 B7R0.4 CC(C)OCCCO Z1080358780 [0,2,0,0,0,0|1,0,1]=4 366 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,2,0,0,0,0|1,0,0]=3 367 B7R0.4 CCCCCC(=N)N Z3490473907 [0,2,0,0,0,0|2,0,0]=4 368 B7R0.4 CCCCCC(=O)O Z104503532 [0,2,0,0,0,0|1,0,0]=3 369 B7R0.4 CCCCNC(=S)N Z56930717 [0,2,0,0,0,0|1,1,0]=4 370 B7R0.4 CCCCOC(=O)N Z104476286 [0,2,0,0,0,0|0,0,0]=2 371 B7R0.4 CCCNCC(=O)N Z2211231296 [0,2,0,0,0,0|1,0,0]=3 372 B7R0.4 CCCNCC(=O)O Z744582718 [0,2,0,0,0,0|1,0,0]=3 373 B7R0.4 CCCOCC(=O)O Z406677750 [0,2,0,0,0,0|0,0,0]=2 374 B7R0.4 CCCSCC(=O)C Z447929234 [0,2,0,0,0,0|0,1,0]=3 375 B7R0.4 CCCSCC(=O)O Z228425458 [0,2,0,0,0,0|0,1,0]=3 376 B7R0.4 CCNCCC(=O)N Z2681234913 [0,2,0,0,0,0|1,0,0]=3 377 B7R0.4 CCNCCC(=O)O Z1869802098 [0,2,0,0,0,0|1,0,0]=3 378 B7R0.4 CCOCCC(=O)O Z316258938 [0,2,0,0,0,0|1,0,0]=3 379 B7R0.4 CCSCCC(=O)O Z197206046 [0,2,0,0,0,0|1,0,0]=3 380 B7R0.4 CNCCCC(=O)O Z57043473 [0,2,0,0,0,0|1,0,0]=3 381 B7R0.4 CNCCNC(=O)C Z1456777974 [0,2,0,0,0,0|1,0,0]=3 382 B7R0.4 COCCCC(=N)N Z1267882086 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.4 COCCCC(=O)C Z406376722 [0,2,0,0,0,0|1,0,0]=3 384 B7R0.4 COCCCC(=O)O Z316258912 [0,2,0,0,0,0|1,0,0]=3 385 B7R0.4 COCCNC(=O)N Z56904572 [0,2,0,0,0,0|1,0,0]=3 386 B7R0.4 COCOCC(=N)N Z1723549321 [0,2,0,0,0,0|2,0,0]=4 387 B7R0.4 CSCCCC(=O)O Z54602911 [0,2,0,0,0,0|1,0,0]=3 388 B7R0.4 N#CCCCC(=O)O Z1198152304 [0,2,0,0,0,0|1,0,1]=4 389 B7R0.4 NC(=O)COCCO Z1198148880 [0,2,0,0,0,0|1,0,0]=3 390 B7R0.4 NC(=O)NCCCO Z198194722 [0,2,0,0,0,0|1,0,0]=3 391 B7R0.4 NCCCCC(=O)N Z1639630947 [0,2,0,0,0,0|1,0,0]=3 392 B7R0.4 NCCCCC(=O)O Z271111992 [0,2,0,0,0,0|1,0,0]=3 393 B7R0.4 NCCCOC(=O)N Z3337481796 [0,2,0,0,0,0|0,0,0]=2 394 B7R0.4 NCCNCC(=O)O Z2692249907 [0,2,0,0,0,0|2,0,0]=4 395 B7R0.4 NCCOCC(=O)N Z1428158847 [0,2,0,0,0,0|1,0,0]=3 396 B7R0.4 NCCOCC(=O)O Z1650039500 [0,2,0,0,0,0|1,0,0]=3 397 B7R0.4 NCCSCC(=O)O Z1381287295 [0,2,0,0,0,0|1,1,0]=4 398 B7R0.4 O=C(O)CCCCBr Z104479696 [0,2,0,0,0,0|1,0,0]=3 399 B7R0.4 O=C(O)CCCCS Z808230828 [0,2,0,0,0,0|1,0,0]=3 400 B7R0.4 O=C(O)CNCCO Z425411352 [0,2,0,0,0,0|2,0,0]=4 401 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,2,0,0,0,0|1,0,0]=3 402 B7R0.4 O=C([O-])COCCO Z1744715804 [0,2,0,0,0,0|1,0,0]=3 403 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,2,0,0,0,0|1,0,1]=4 404 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,2,0,0,0,0|1,0,0]=3 405 B7R0.6 CC(=O)OCC(=S)N Z411884132 [0,2,0,0,0,0|1,0,1]=4 406 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,2,0,0,0,0|1,0,1]=4 407 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,2,0,0,0,0|2,0,0]=4 408 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,2,0,0,0,0|1,0,0]=3 409 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,2,0,0,0,0|1,0,0]=3 410 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,2,0,0,0,0|2,0,0]=4 411 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,2,0,0,0,0|2,0,0]=4 412 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,2,0,0,0,0|2,0,0]=4 414 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,2,0,0,0,0|1,0,0]=3 415 B7R0.6 CC(N)CCS(=O)C Z1269750451 [0,2,0,0,0,0|2,0,0]=4 416 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,2,0,0,0,0|1,0,0]=3 417 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,2,0,0,0,0|2,0,0]=4 418 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,2,0,0,0,0|2,0,0]=4 419 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,2,0,0,0,0|2,0,0]=4 420 B7R0.8 CCCCS(=O)(=O)N Z55264566 [0,2,0,0,0,0|2,0,0]=4 421 B7R0.1 C#CCOCCCN Z4502872707 [0,2,0,0,0,0|1,0,1]=4 422 B7R0.1 CCCCOCCN Z409191398 [0,2,0,0,0,0|1,0,1]=4 423 B7R0.1 CCCOCCCO Z1080358966 [0,2,0,0,0,0|0,0,2]=4 424 B7R0.1 CCNCCOCC Z138138014 [0,2,0,0,0,0|1,0,1]=4 425 B7R0.1 CCOCCCC#N Z295205414 [0,2,0,0,0,0|1,0,1]=4 426 B7R0.1 CCOCCCCO Z993012560 [0,2,0,0,0,0|1,0,1]=4 427 B7R0.1 COCCOCC#N Z295206426 [0,2,0,0,0,0|1,0,1]=4 428 B7R0.1 COCCOCCN Z285178622 [0,2,0,0,0,0|1,0,1]=4 429 B7R0.1 COCCOCCO Z849748688 [0,2,0,0,0,0|0,0,2]=4 430 B7R0.1 NCCOCCCO Z2044949087 [0,2,0,0,0,0|1,0,1]=4 431 B7R0.1 OCCCOCCO Z1373668758 [0,2,0,0,0,0|0,0,2]=4 432 B5R1.1 C1=CCNC1 Z2306624771 [1,0,0,1,0,0|2,0,0]=4 433 B5R1.2 NC1CCC1 Z1266823158 [1,0,0,1,0,0|1,0,1]=4 434 B5R1.2 NC1COC1 Z317054188 [1,0,0,1,0,0|1,0,1]=4 435 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|0,0,0]=2 436 B5R1.2 OC1COC1 Z1123686553 [1,0,0,1,0,0|1,0,1]=4 437 B5R1.3 CNC1CC1 Z138412880 [1,0,0,1,0,0|1,0,1]=4 438 B5R1.3 ClCC1CO1 Z104473190 [1,0,0,1,0,0|1,0,1]=4 439 B5R1.3 N#CC1CC1 Z247612572 [1,0,0,1,0,0|1,0,1]=4 440 B5R1.3 OCC1CC1 Z104479000 [1,0,0,1,0,0|0,0,2]=4 441 B5R1.3 OCC1CO1 Z104476180 [1,0,0,1,0,0|1,0,1]=4 442 B5R1.3 OC[C@@H]1CO1 Z1222330631 [1,0,0,1,0,0|1,0,1]=4 443 B5R1.3 OC[C@H]1CO1 Z1222330633 [1,0,0,1,0,0|1,0,1]=4 444 B5R1.4 CC1CC1N Z406520774 [1,0,0,1,0,0|1,0,1]=4 445 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [1,0,0,1,0,0|1,0,1]=4 446 B7R1.1 BrCC1CCCO1 Z90660999 [0,1,0,1,0,0|1,0,1]=4 447 B7R1.1 CCC1=CC=CO1 Z640169748 [0,1,0,1,0,0|1,0,1]=4 448 B7R1.1 CNC1CCOC1 Z1079260566 [0,1,0,1,0,0|1,0,1]=4 449 B7R1.1 COC1=NCCC1 Z147641734 [0,1,0,1,0,0|1,0,1]=4 450 B7R1.1 ClCC1CCCO1 Z56893271 [0,1,0,1,0,0|1,0,1]=4 451 B7R1.1 N#CC1CCCO1 Z1079178976 [0,1,0,1,0,0|1,0,1]=4 452 B7R1.1 NCC1C=CCC1 Z2768196818 [0,1,0,1,0,0|2,0,0]=4 453 B7R1.1 NCC1CC=CC1 Z2310699469 [0,1,0,1,0,0|2,0,0]=4 454 B7R1.1 NCC1COCO1 Z2298138033 [0,1,0,1,0,0|0,0,2]=4 455 B7R1.1 O=CC1=CCCC1 Z1190318866 [0,1,0,1,0,0|1,0,0]=3 456 B7R1.1 O=CC1=CCSC1 Z57981092 [0,1,0,1,0,0|1,0,1]=4 457 B7R1.1 O=CC1CC=CC1 Z1504676872 [0,1,0,1,0,0|1,0,1]=4 458 B7R1.1 O=CC1CCCC1 Z875036058 [0,1,0,1,0,0|1,0,0]=3 459 B7R1.1 O=CC1CCOC1 Z199056102 [0,1,0,1,0,0|1,0,0]=3 460 B7R1.1 O=CC1CCSC1 Z1201681645 [0,1,0,1,0,0|1,0,0]=3 461 B7R1.1 O=CN1CCCC1 Z1255394997 [0,1,0,1,0,0|1,0,0]=3 462 B7R1.1 O=NN1CCOC1 Z1198157988 [0,1,0,1,0,0|2,0,0]=4 463 B7R1.1 OCC1CC=CC1 Z1201622687 [0,1,0,1,0,0|2,0,0]=4 464 B7R1.1 OCC1CCOC1 Z335245192 [0,1,0,1,0,0|1,0,1]=4 465 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,1,0,1,0,0|2,0,0]=4 466 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,1,0,1,0,0|2,0,0]=4 467 B7R1.2 CC1CC(CO1)N Z2418414350 [0,1,0,1,0,0|1,0,1]=4 468 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,1,0,1,0,0|1,0,0]=3 469 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,1,0,0|0,0,0]=2 470 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,1,0,1,0,0|2,0,0]=4 471 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,1,0,1,0,0|1,0,1]=4 472 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,1,0,1,0,0|2,0,0]=4 473 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,1,0,1,0,0|1,0,0]=3 474 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,1,0,1,0,0|1,0,0]=3 475 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,1,0,0|2,0,0]=4 477 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,1,0,1,0,0|2,0,0]=4 478 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,1,0,1,0,0|1,0,1]=4 479 B7R1.2 NC1CCS(=O)C1 Z1267860904 [0,1,0,1,0,0|2,0,0]=4 480 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,1,0,1,0,0|1,0,0]=3 481 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,1,0,0|1,0,0]=3 482 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,1,0,1,0,0|1,0,1]=4 483 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,1,0,1,0,0|0,0,1]=3 484 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,1,0,1,0,0|1,0,1]=4 485 B7R1.3 C=C1CCNCC1 Z1124146875 [0,1,0,1,0,0|2,0,0]=4 486 B7R1.3 CC1=CCCNC1 Z2143573194 [0,1,0,1,0,0|2,0,0]=4 487 B7R1.3 CC1CNCCO1 Z204013884 [0,1,0,1,0,0|1,0,1]=4 488 B7R1.3 CC1COCCN1 Z336087928 [0,1,0,1,0,0|1,0,1]=4 489 B7R1.3 FC1=CCCNC1 Z1570657372 [0,1,0,1,0,0|2,0,0]=4 490 B7R1.3 NC1=NCCCC1 Z1723418848 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.3 NC1=NCCCN1 Z1259041088 [0,1,0,1,0,0|2,0,0]=4 492 B7R1.3 NC1=NCCCS1 Z2211231389 [0,1,0,1,0,0|1,1,0]=4 493 B7R1.3 NC1C=CCCC1 Z1203579654 [0,1,0,1,0,0|2,0,0]=4 494 B7R1.3 NC1CCCOC1 Z1013492300 [0,1,0,1,0,0|1,0,1]=4 495 B7R1.3 NC1CCOCC1 Z600428352 [0,1,0,1,0,0|1,0,1]=4 496 B7R1.3 O=C1C=CCCC1 Z295197140 [0,1,0,1,0,0|1,0,0]=3 497 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,1,0,1,0,0|0,0,1]=3 498 B7R1.3 O=C1CCCCC1 Z104474256 [0,1,0,1,0,0|1,0,0]=3 499 B7R1.3 O=C1CCCCN1 Z168817684 [0,1,0,1,0,0|1,0,0]=3 500 B7R1.3 O=C1CCCCO1 Z432085120 [0,1,0,1,0,0|0,0,0]=2 501 B7R1.3 O=C1CCCCS1 Z1726147018 [0,1,0,1,0,0|0,1,0]=3 502 B7R1.3 O=C1CCCNC1 Z3063726909 [0,1,0,1,0,0|1,0,0]=3 503 B7R1.3 O=C1CCCNN1 Z1416174508 [0,1,0,1,0,0|1,0,0]=3 504 B7R1.3 O=C1CCCSC1 Z979714552 [0,1,0,1,0,0|0,1,0]=3 505 B7R1.3 O=C1CCNCC1 Z1741959513 [0,1,0,1,0,0|1,0,0]=3 506 B7R1.3 O=C1CNCCN1 Z56968535 [0,1,0,1,0,0|1,0,0]=3 507 B7R1.3 O=C1CSCCN1 Z337709368 [0,1,0,1,0,0|1,0,0]=3 508 B7R1.3 O=C1CSCSC1 Z1251333166 [0,1,0,1,0,0|1,1,0]=4 509 B7R1.3 O=C1NCCCN1 Z1203730774 [0,1,0,1,0,0|1,0,0]=3 510 B7R1.3 O=C1NCCCO1 Z1198312172 [0,1,0,1,0,0|0,0,0]=2 511 B7R1.3 O=C1NCNCN1 Z1255437058 [0,1,0,1,0,0|2,0,0]=4 512 B7R1.3 O=C1NNCCO1 Z2732442016 [0,1,0,1,0,0|1,0,0]=3 513 B7R1.3 O=S1CCNCC1 Z1263714072 [0,1,0,1,0,0|2,0,0]=4 514 B7R1.3 OC1CCOCC1 Z1359429523 [0,1,0,1,0,0|1,0,1]=4 515 B7R1.3 OC1CCONC1 Z3325124334 [0,1,0,1,0,0|2,0,0]=4 516 B7R1.3 OC1CNCCO1 Z1428160315 [0,1,0,1,0,0|0,0,2]=4 517 B7R1.3 OC1COCOC1 Z431564488 [0,1,0,1,0,0|0,0,2]=4 518 B7R1.4 C=C1CCOC1=O Z1255438435 [0,1,0,1,0,0|0,0,1]=3 519 B7R1.4 C=C1COCC1N Z3066568668 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.4 CC1CCCC1=O Z813018382 [0,1,0,1,0,0|1,0,0]=3 521 B7R1.4 CC1CCNC1=O Z1198147219 [0,1,0,1,0,0|1,0,0]=3 522 B7R1.4 CC1NCCC1=O Z2733314209 [0,1,0,1,0,0|1,0,0]=3 523 B7R1.4 CN1C=COC1=O Z2732441923 [0,1,0,1,0,0|0,0,2]=4 524 B7R1.4 CN1CCCC1=O Z104478382 [0,1,0,1,0,0|1,0,0]=3 525 B7R1.4 CN1CCNC1=O Z336079928 [0,1,0,1,0,0|1,0,0]=3 526 B7R1.4 CN1CCSC1=N Z3242405392 [0,1,0,1,0,0|1,1,0]=4 527 B7R1.4 CN1CNCC1=O Z1601562352 [0,1,0,1,0,0|2,0,0]=4 528 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,1,0,1,0,0|1,0,1]=4 529 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,1,0,0|0,0,0]=2 530 B7R1.4 NC1CCSC1=O Z56922158 [0,1,0,1,0,0|0,1,0]=3 531 B7R1.4 NC1CONC1=O Z336087816 [0,1,0,1,0,0|1,0,0]=3 532 B7R1.4 NN1CCOC1=O Z1198147716 [0,1,0,1,0,0|1,0,0]=3 533 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,1,0,1,0,0|0,1,0]=3 534 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,1,0,1,0,0|1,0,0]=3 535 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,1,0,1,0,0|0,1,0]=3 536 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,1,0,1,0,0|1,0,0]=3 537 B7R1.4 O=C1CCCC1Cl Z104492966 [0,1,0,1,0,0|1,0,0]=3 538 B7R1.4 O=C1NCCC1F Z1203745843 [0,1,0,1,0,0|1,0,0]=3 539 B7R1.6 O=CCC1CCC1 Z1198184444 [0,1,0,1,0,0|1,0,0]=3 540 B7R1.6 O=CCC1COC1 Z1511884358 [0,1,0,1,0,0|1,0,0]=3 541 B7R1.9 CCC1CC1C=O Z1513989944 [0,1,0,1,0,0|1,0,0]=3 542 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [0,1,0,1,0,0|1,0,0]=3 543 B7R1.9 N#CC1CC1C=O Z1511894712 [0,1,0,1,0,0|1,0,1]=4 544 B7R1.10 C=C1CC(C1)C=O Z1486007751 [0,1,0,1,0,0|1,0,1]=4 545 B7R1.10 C=CC1CC(C1)N Z4052438501 [0,1,0,1,0,0|2,0,0]=4 546 B7R1.11 CC1C(C1C=O)Cl Z1262487267 [0,1,0,1,0,0|1,0,0]=3 547 B7R1.11 C[C@H]1C([C@@H]1C)C=O Z3081818776 [0,1,0,1,0,0|1,0,0]=3 548 B7R1.21 CC1(CC1)CC=O Z3247248393 [0,1,0,1,0,0|1,0,0]=3 549 B7R1.22 C=CC(N)C1CC1 Z3444558430 [0,1,0,1,0,0|2,0,0]=4 550 B7R1.22 CC(C=O)C1CC1 Z1263529480 [0,1,0,1,0,0|1,0,0]=3 551 B7R1.22 CN(N=O)C1CC1 Z1934631325 [0,1,0,1,0,0|2,0,0]=4 552 B7R1.25 C=CC1(CCC1)N Z3241265563 [0,1,0,1,0,0|2,0,0]=4 553 B7R1.25 CC1(CCC1)C=O Z1198728427 [0,1,0,1,0,0|1,0,0]=3 554 B7R1.25 CC1(COC1)C=O Z1198234536 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.25 CC1(CSC1)C=O Z2732442937 [0,1,0,1,0,0|2,0,0]=4 556 B7R1.27 CC1CC1(C)C=O Z1513984691 [0,1,0,1,0,0|1,0,0]=3 557 B7R1.7 C=CCCC1CO1 Z1255485443 [0,1,0,1,0,0|2,0,0]=4 558 B7R1.7 C=CCNC1CC1 Z2142036642 [0,1,0,1,0,0|2,0,0]=4 559 B7R1.7 CCOCC1CO1 Z271128258 [0,1,0,1,0,0|1,0,1]=4 560 B7R1.7 NCCOC1CC1 Z2786559006 [0,1,0,1,0,0|1,0,1]=4 561 B7R1.7 O=C/C=C/C1CC1 Z1318198760 [0,1,0,1,0,0|1,0,0]=3 562 B7R1.7 O=C=NCC1CC1 Z826525040 [0,1,0,1,0,0|1,0,1]=4 563 B7R1.7 O=CCCC1CC1 Z1233208002 [0,1,0,1,0,0|1,0,0]=3 564 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,1,0,1,0,0|1,0,0]=3 565 B7R1.12 CC1CC1C(=O)N Z33546780 [0,1,0,1,0,0|1,0,0]=3 566 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,1,0,1,0,0|1,0,0]=3 567 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,1,0,1,0,0|1,0,0]=3 568 B7R1.14 CC1(CC=CC1)N Z2470136742 [0,1,0,1,0,0|2,0,0]=4 569 B7R1.14 CC1(CCOC1)N Z1895741238 [0,1,0,1,0,0|1,0,1]=4 570 B7R1.14 CC1(CNOC1)O Z3035808330 [0,1,0,1,0,0|2,0,0]=4 571 B7R1.14 N=S1(=O)CCCC1 Z1862022759 [0,1,0,1,0,0|2,0,0]=4 572 B7R1.14 O=S1(=O)CCCN1 Z359508120 [0,1,0,1,0,0|2,0,0]=4 573 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,1,0,1,0,0|1,0,0]=3 574 B7R1.17 CC1(CNC1=O)C Z425427928 [0,1,0,1,0,0|1,0,0]=3 575 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,1,0,1,0,0|2,0,0]=4 576 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,1,0,1,0,0|1,0,0]=3 577 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,1,0,1,0,0|2,0,0]=4 578 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,1,0,1,0,0|1,0,0]=3 579 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,1,0,1,0,0|2,0,0]=4 580 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,1,0,1,0,0|1,0,0]=3 583 B7R1.20 NC(=NC1CC1)N Z1815149162 [0,1,0,1,0,0|2,0,0]=4 584 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,1,0,1,0,0|1,0,0]=3 585 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,1,0,1,0,0|1,0,0]=3 586 B7R1.20 NC(=S)NC1CC1 Z85934238 [0,1,0,1,0,0|1,1,0]=4 587 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,1,0,1,0,0|1,0,0]=3 588 B7R1.23 CC1(CC1C=O)Br Z1513978436 [0,1,0,1,0,0|1,0,0]=3 589 B7R1.23 CC1(CC1C=O)C Z1511745659 [0,1,0,1,0,0|1,0,0]=3 590 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [0,1,0,1,0,0|1,0,0]=3 591 B7R1.23 CC1(OC1C=O)C Z1511743636 [0,1,0,1,0,0|2,0,0]=4 592 B7R1.23 O=CC1CC1(Cl)Cl Z1511747117 [0,1,0,1,0,0|2,0,0]=4 593 B7R1.24 C1=CCCNCC1 Z1255363448 [0,1,0,1,0,0|2,0,0]=4 594 B7R1.24 C1CCNOCC1 Z1824482753 [0,1,0,1,0,0|1,0,1]=4 595 B7R1.24 C1CNCCOC1 Z359510198 [0,1,0,1,0,0|1,0,1]=4 596 B7R2.13 C1CC2OC2C1 Z255149904 [0,0,0,2,0,0|1,0,1]=4