0 B5R0.2 C#CCCC#N Z295890044 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 C#CCCCN Z1945700461 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C#CCCNC Z3270794267 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 C#CCNCC Z815264056 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.2 C/C=C/CCN Z1268152372 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 C/C=C/OCC Z281777810 [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|3,0,1]=4 8 B5R0.2 C=CCNCC Z2044769224 [0,0,0,0,0,0|3,0,1]=4 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|2,0,1]=3 11 B5R0.2 CCCCC=O Z104472992 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 CCCCCN Z104472246 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.2 CCCNCC Z138446288 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.2 CCNCC#N Z235583784 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.2 CCNCCF Z1198305484 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.2 CCNCCO Z1258992395 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.2 CCNOCC Z223690220 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.2 CCOCC#N Z295205412 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.2 CCOCCN Z271005962 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.2 CCOCCO Z104473122 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.2 CCSCCN Z3061111063 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.2 CNCCCO Z104756980 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.2 CNCCOC Z1259162131 [0,0,0,0,0,0|1,0,0]=1 24 B5R0.2 CNCCSC Z1398461959 [0,0,0,0,0,0|1,1,0]=2 25 B5R0.2 COCCC#N Z277467992 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.2 COCCCO Z431517702 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.2 COCCOC Z104473014 [0,0,0,0,0,0|0,0,0]=0 28 B5R0.2 N#CCCCN Z1649677743 [0,0,0,0,0,0|4,0,0]=4 29 B5R0.2 N#CCCCO Z385458622 [0,0,0,0,0,0|4,0,0]=4 30 B5R0.2 NCCCCF Z2177031126 [0,0,0,0,0,0|4,0,0]=4 31 B5R0.2 NCCCCN Z104472592 [0,0,0,0,0,0|4,0,0]=4 32 B4R0.2 C#CCCN Z1267881669 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.2 CC#CCN Z1713595498 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.2 CCCC#N Z238878246 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.2 CCCCN Z104474314 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.2 CCCCO Z104473488 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.2 CCCNN Z415728048 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 CNCC#N Z1262250834 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 COCC#N Z86023357 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.2 COCCO Z104473522 [1,0,0,0,0,0|0,0,0]=1 41 B4R0.2 CSCCO Z149154880 [1,0,0,0,0,0|0,1,0]=2 42 B4R0.2 N#CCCN Z1895741700 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.2 NCCCN Z104478068 [1,0,0,0,0,0|3,0,0]=4 44 B4R0.2 NCCCO Z56771034 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.1 C#CCC(=O)OC Z1198160347 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.1 C#CCC(N)CC Z969111798 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.1 C=CCC(N)CC Z1981870426 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.1 C=CCC(O)CC Z808662120 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.1 CCC(=O)COC Z825742020 [0,1,0,0,0,0|1,0,1]=3 50 B6R0.1 CCC(C)CNC Z1266854907 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.1 CCC(N)CCO Z1258578227 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.1 CCC(N)COC Z825742260 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.1 CCC(O)CCN Z406342052 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.1 CCC(O)CCO Z1198157972 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.1 CCCC(C)C#N Z415654768 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.1 CCCC(C)NC Z394693580 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.1 CCCC(N)C#N Z398513448 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.1 CCCC(N)CC Z1642389626 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.1 CCCC(N)CN Z425861040 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.1 CCCC(O)CN Z419084742 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.1 CCNC(C)CC Z2509351098 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.1 CNC(C)CC#N Z666295372 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.1 CNC(C)CCO Z1198266877 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.1 CNC(C)COC Z815264298 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.1 CNC(C)CSC Z995116552 [0,1,0,0,0,0|1,1,0]=3 66 B6R0.1 CNCC(=O)NC Z57981096 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.1 CNCC(=O)OC Z89264972 [0,1,0,0,0,0|1,0,1]=3 68 B6R0.1 CNCC(C)OC Z2065788390 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.1 CNC[C@H](O)CO Z600533638 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.1 COC(C)CC#N Z847151020 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.1 COC(C)CCN Z802903932 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.1 COCC(C)CO Z1192375999 [0,1,0,0,0,0|2,0,0]=3 73 B6R0.1 COCC(N)C#N Z1601562385 [0,1,0,0,0,0|2,0,0]=3 74 B6R0.1 COCC(N)CN Z1203580237 [0,1,0,0,0,0|2,0,0]=3 75 B6R0.1 COCC(N)CO Z1945984156 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.1 COCC(O)CN Z271097108 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.1 CSC(C)CCN Z732208464 [0,1,0,0,0,0|2,1,0]=4 78 B6R0.1 CSC(C)CCO Z1262258908 [0,1,0,0,0,0|2,1,0]=4 79 B6R0.1 CSCC(C)CN Z732208434 [0,1,0,0,0,0|2,1,0]=4 80 B6R0.1 CSCC(C)CO Z1270310211 [0,1,0,0,0,0|2,1,0]=4 81 B6R0.1 CSCC(O)CO Z1126770422 [0,1,0,0,0,0|2,1,0]=4 82 B6R0.4 C#CCCC(C)O Z854048672 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.4 C=CCCC(=O)C Z406376894 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.4 C=CCCC(C)N Z3681295487 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.4 CC#CCC(C)N Z975788700 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.4 CC(=O)CCC#N Z1251352415 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.4 CC(C)CCCN Z992716898 [0,1,0,0,0,0|3,0,0]=4 88 B6R0.4 CC(N)CCCN Z2230911100 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.4 CC(N)CCCO Z1203578676 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.4 CC(O)CCCN Z1198178891 [0,1,0,0,0,0|3,0,0]=4 91 B6R0.4 CCCCB(O)O Z1147227739 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.4 CCCCC(=N)N Z1723418909 [0,1,0,0,0,0|3,0,0]=4 93 B6R0.4 CCCCC(=O)N Z104476278 [0,1,0,0,0,0|3,0,0]=4 94 B6R0.4 CCCCC(=O)O Z104473312 [0,1,0,0,0,0|3,0,0]=4 95 B6R0.4 CCCCC(C)N Z3300506318 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.4 CCCNC(=O)C Z33030314 [0,1,0,0,0,0|3,0,0]=4 97 B6R0.4 CCNCC(C)C Z380844664 [0,1,0,0,0,0|3,0,0]=4 98 B6R0.4 CCNCC(C)O Z138692768 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.4 CCOCC(C)N Z839575202 [0,1,0,0,0,0|3,0,0]=4 100 B6R0.4 CCSCC(C)N Z1203641186 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.4 CN(C)CCC#N Z57980324 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.4 CNCCC(=O)C Z1536943318 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.4 CNCCC(C)C Z607822512 [0,1,0,0,0,0|2,0,0]=3 104 B6R0.4 CNCCC(C)O Z1203731868 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.4 CNCCN(C)C Z138123106 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.4 COCCC(=N)N Z1592042674 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.4 COCCC(=O)C Z362119682 [0,1,0,0,0,0|1,0,0]=2 108 B6R0.4 COCCC(=O)N Z394696458 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.4 COCCC(=O)O Z285184634 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.4 COCCC(C)N Z361881180 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.4 COCCC(C)O Z818738042 [0,1,0,0,0,0|1,0,0]=2 112 B6R0.4 COCCN(C)C Z5121096537 [0,1,0,0,0,0|1,0,0]=2 113 B6R0.4 CSCCC(=N)N Z1266823407 [0,1,0,0,0,0|2,1,0]=4 114 B6R0.4 CSCCC(=O)O Z54719251 [0,1,0,0,0,0|2,1,0]=4 115 B6R0.6 C#CCCCCN Z1431002697 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.6 C#CCNCCC Z815264308 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.6 C=CCCCCN Z1198160046 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.6 CCCCCCO Z104473568 [0,1,0,0,0,0|2,0,0]=3 119 B6R0.6 CCCCN=C=S Z104473876 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.6 CCCNCC#N Z235653524 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.6 CCCOCCN Z4449042604 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.6 CCNCCCF Z1203824341 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.6 CCNCCCO Z138139914 [0,1,0,0,0,0|3,0,0]=4 124 B6R0.6 CCNCCSC Z2412193591 [0,1,0,0,0,0|1,1,0]=3 125 B6R0.6 CCOCCCO Z1080358490 [0,1,0,0,0,0|2,0,0]=3 126 B6R0.6 CNCCCCN Z2939606540 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.6 CNCCCCO Z839096662 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.6 CNCCCOC Z137847932 [0,1,0,0,0,0|1,0,0]=2 129 B6R0.6 CNCCCSC Z102766932 [0,1,0,0,0,0|1,1,0]=3 130 B6R0.6 COCCCC#N Z295205400 [0,1,0,0,0,0|1,0,1]=3 131 B6R0.6 COCCCCO Z431605254 [0,1,0,0,0,0|1,0,0]=2 132 B6R0.6 COCCN=C=O Z1094719556 [0,1,0,0,0,0|1,0,1]=3 133 B6R0.6 CONCCCN Z2492414217 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.6 N#CCCCCN Z823279224 [0,1,0,0,0,0|3,0,0]=4 135 B6R0.6 N#CCCCCO Z431952150 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.6 NCCCCCF Z3524160733 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.6 NCCCCCN Z951173830 [0,1,0,0,0,0|3,0,0]=4 138 B6R1.1 C1=CCCCC1 Z104474726 [0,0,0,1,0,0|2,0,1]=4 139 B6R1.1 C1=CCNCC1 Z1623864216 [0,0,0,1,0,0|2,0,1]=4 140 B6R1.1 C1=CCONC1 Z1486018651 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.1 C1CCONC1 Z1787355355 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.1 C1CNCCN1 Z1245537944 [0,0,0,1,0,0|2,0,0]=3 143 B6R1.1 C1COCCN1 Z57127568 [0,0,0,1,0,0|1,0,0]=2 144 B6R1.1 C1CSCCN1 Z352252014 [0,0,0,1,0,0|1,1,0]=3 145 B6R1.2 C=C1CCNC1 Z3019986853 [0,0,0,1,0,0|2,0,1]=4 146 B6R1.2 C=C1CNOC1 Z3037884222 [0,0,0,1,0,0|2,0,1]=4 147 B6R1.2 CC1=CCNC1 Z1203734447 [0,0,0,1,0,0|2,0,1]=4 148 B6R1.2 CC1CCCN1 Z1274177652 [0,0,0,1,0,0|3,0,0]=4 149 B6R1.2 CC1CCNC1 Z729771722 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.2 CC1CNNC1 Z4953319766 [0,0,0,1,0,0|3,0,0]=4 151 B6R1.2 FC1CCNC1 Z1139751347 [0,0,0,1,0,0|3,0,0]=4 152 B6R1.2 NC1CCOC1 Z802544198 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.2 NC1CCSC1 Z1267885911 [0,0,0,1,0,0|2,1,0]=4 154 B6R1.2 O=C1CCNC1 Z1741976513 [0,0,0,1,0,0|3,0,0]=4 155 B6R1.2 O=C1CCSC1 Z104495638 [0,0,0,1,0,0|2,1,0]=4 156 B6R1.2 O=S1CCCC1 Z278052312 [0,0,0,1,0,0|2,1,0]=4 157 B6R1.2 OC1CCOC1 Z1124541349 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.2 OC1CCSC1 Z335244836 [0,0,0,1,0,0|2,1,0]=4 159 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,0,0,1,0,0|3,0,0]=4 160 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,0,0,1,0,0|3,0,0]=4 161 B6R1.3 ClCCC1CO1 Z1205657512 [0,0,0,1,0,0|2,0,0]=3 162 B6R1.3 NCCC1CC1 Z1267773823 [0,0,0,1,0,0|3,0,0]=4 163 B6R1.3 O=CCC1CC1 Z905066058 [0,0,0,1,0,0|3,0,0]=4 164 B6R1.3 OCCC1CC1 Z826525694 [0,0,0,1,0,0|3,0,0]=4 165 B6R1.4 CC1CCC1N Z2082999653 [0,0,0,1,0,0|3,0,0]=4 166 B6R1.6 CCC1CNC1 Z1203733931 [0,0,0,1,0,0|2,0,0]=3 167 B6R1.6 CNC1CCC1 Z1263820270 [0,0,0,1,0,0|2,0,0]=3 168 B6R1.6 COC1CNC1 Z1267773781 [0,0,0,1,0,0|1,0,0]=2 169 B6R1.6 N#CC1CCC1 Z406694072 [0,0,0,1,0,0|3,0,0]=4 170 B6R1.6 NCC1CCC1 Z381061564 [0,0,0,1,0,0|3,0,0]=4 171 B6R1.6 NCC1CNC1 Z1198274908 [0,0,0,1,0,0|3,0,0]=4 172 B6R1.6 O=CC1CCC1 Z1079442452 [0,0,0,1,0,0|3,0,0]=4 173 B6R1.8 CC1CC1C#N Z1079178904 [0,0,0,1,0,0|3,0,0]=4 174 B6R1.8 CC1CC1C=O Z1079442440 [0,0,0,1,0,0|3,0,0]=4 175 B6R1.8 CC1CC1CN Z415636622 [0,0,0,1,0,0|3,0,0]=4 176 B6R1.8 CC1CC1CO Z397587430 [0,0,0,1,0,0|3,0,0]=4 177 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [0,0,0,1,0,0|3,0,0]=4 178 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [0,0,0,1,0,0|3,0,0]=4 179 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|0,0,2]=4 180 B3R0.1 NCCF Z1966571823 [2,0,0,0,0,0|2,0,0]=4 181 B3R0.1 NCCN Z104473714 [2,0,0,0,0,0|2,0,0]=4 182 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|1,0,0]=3 183 B3R0.1 NCCS Z104474494 [2,0,0,0,0,0|1,1,0]=4 184 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|0,1,0]=3 185 B5R0.1 C#CCC(C)N Z3490223481 [1,1,0,0,0,0|1,0,1]=4 186 B5R0.1 C#CCC(C)O Z969111576 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.1 C=C(C)CCN Z1203582475 [1,1,0,0,0,0|2,0,0]=4 188 B5R0.1 C=CCC(C)N Z1269638561 [1,1,0,0,0,0|1,0,1]=4 189 B5R0.1 CC(=O)CCO Z906206900 [1,1,0,0,0,0|1,0,0]=3 190 B5R0.1 CC(C)CC#N Z104473272 [1,1,0,0,0,0|2,0,0]=4 191 B5R0.1 CC(C)CCO Z104473558 [1,1,0,0,0,0|1,0,0]=3 192 B5R0.1 CC(N)CC#N Z1267773800 [1,1,0,0,0,0|2,0,0]=4 193 B5R0.1 CC(N)CCO Z385458430 [1,1,0,0,0,0|1,0,0]=3 194 B5R0.1 CC(O)CC#N Z847151284 [1,1,0,0,0,0|2,0,0]=4 195 B5R0.1 CC(O)CCN Z802904114 [1,1,0,0,0,0|2,0,0]=4 196 B5R0.1 CC(O)CCO Z104473530 [1,1,0,0,0,0|1,0,0]=3 197 B5R0.1 CCCC(=N)N Z1198394172 [1,1,0,0,0,0|2,0,0]=4 198 B5R0.1 CCCC(=O)N Z33546461 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.1 CCCC(=O)O Z104495380 [1,1,0,0,0,0|1,0,1]=4 200 B5R0.1 CCCC(C)N Z2417819590 [1,1,0,0,0,0|1,0,0]=3 201 B5R0.1 CN(C)CCF Z5487577684 [1,1,0,0,0,0|2,0,0]=4 202 B5R0.1 CN(C)CCO Z104473552 [1,1,0,0,0,0|1,0,0]=3 203 B5R0.1 CN(C)CCS Z362025514 [1,1,0,0,0,0|1,1,0]=4 204 B5R0.1 CNCC(=O)O Z104480276 [1,1,0,0,0,0|1,0,1]=4 205 B5R0.1 CNCC(C)C Z951367674 [1,1,0,0,0,0|1,0,0]=3 206 B5R0.1 CNCC(C)N Z1413780485 [1,1,0,0,0,0|1,0,0]=3 207 B5R0.1 CNCC(C)O Z138692700 [1,1,0,0,0,0|1,0,0]=3 208 B5R0.1 CNCC(F)F Z1259341074 [1,1,0,0,0,0|2,0,0]=4 209 B5R0.1 COCC(=N)N Z1258620054 [1,1,0,0,0,0|1,0,1]=4 210 B5R0.1 COCC(=O)N Z33546778 [1,1,0,0,0,0|0,0,2]=4 211 B5R0.1 COCC(=O)O Z104477404 [1,1,0,0,0,0|0,0,1]=3 212 B5R0.1 COCC(C)O Z825742124 [1,1,0,0,0,0|0,0,0]=2 213 B5R0.1 COC[C@@H](C)N Z1270482298 [1,1,0,0,0,0|0,0,0]=2 214 B5R0.1 COC[C@H](C)N Z1270502316 [1,1,0,0,0,0|0,0,0]=2 215 B5R0.1 CS(=O)CCN Z802568576 [1,1,0,0,0,0|1,1,0]=4 216 B5R0.1 CSCC(C)O Z732208306 [1,1,0,0,0,0|0,1,0]=3 217 B5R0.1 CSCS(=O)C Z1255438413 [1,1,0,0,0,0|0,2,0]=4 218 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,1,0,0,0,0|2,0,0]=4 220 B5R0.1 N=C(N)CCO Z1198394167 [1,1,0,0,0,0|2,0,0]=4 221 B5R0.1 NC(=O)CCO Z431951940 [1,1,0,0,0,0|2,0,0]=4 222 B5R0.1 NOCC(=O)O Z90662171 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.3 C#CC(N)CO Z2235790715 [1,1,0,0,0,0|1,0,1]=4 224 B5R0.3 C=CC(N)CO Z2146514374 [1,1,0,0,0,0|1,0,1]=4 225 B5R0.3 CC(C#N)CO Z406338220 [1,1,0,0,0,0|2,0,0]=4 226 B5R0.3 CC(CN)CO Z406342068 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.3 CC(CO)CS Z1262475362 [1,1,0,0,0,0|2,0,0]=4 228 B5R0.3 CCC(=O)CC Z104476878 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.3 CCC(C)CN Z2350903977 [1,1,0,0,0,0|2,0,0]=4 230 B5R0.3 CCC(C)NC Z594038230 [1,1,0,0,0,0|1,0,0]=3 231 B5R0.3 CCC(N)C#N Z445129502 [1,1,0,0,0,0|2,0,0]=4 232 B5R0.3 CCC(N)CN Z1263714131 [1,1,0,0,0,0|2,0,0]=4 233 B5R0.3 CCC(N)CO Z104474862 [1,1,0,0,0,0|1,0,0]=3 234 B5R0.3 CCC(O)C#N Z419078094 [1,1,0,0,0,0|2,0,0]=4 235 B5R0.3 CCC(O)CN Z419084746 [1,1,0,0,0,0|2,0,0]=4 236 B5R0.3 CCC(O)CO Z600450538 [1,1,0,0,0,0|1,0,0]=3 237 B5R0.3 CC[C@@H](N)C#N Z1203638467 [1,1,0,0,0,0|2,0,0]=4 238 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,1,0,0,0,0|1,0,0]=3 239 B5R0.3 CC[C@H](N)CO Z1203162358 [1,1,0,0,0,0|1,0,0]=3 240 B5R0.3 CNC(=O)CO Z431952700 [1,1,0,0,0,0|1,0,1]=4 241 B5R0.3 CNC(C)CN Z941154208 [1,1,0,0,0,0|2,0,0]=4 242 B5R0.3 COC(=O)CN Z57042020 [1,1,0,0,0,0|1,0,1]=4 243 B5R0.3 COC(C)CN Z1795817756 [1,1,0,0,0,0|1,0,0]=3 244 B5R0.3 COC(C)CO Z1198150719 [1,1,0,0,0,0|0,0,0]=2 245 B5R0.3 CSC(C)CN Z844632970 [1,1,0,0,0,0|1,1,0]=4 246 B5R0.3 CSC(C)CO Z1273053291 [1,1,0,0,0,0|0,1,0]=3 247 B5R0.3 N#CC(N)CO Z2301438409 [1,1,0,0,0,0|2,0,0]=4 248 B5R0.3 NC(CO)CO Z1203577940 [1,1,0,0,0,0|2,0,0]=4 249 B5R0.3 OCC(O)CO Z104473548 [1,1,0,0,0,0|2,0,0]=4 250 B5R0.3 OCC(O)CS Z1255382958 [1,1,0,0,0,0|2,0,0]=4 251 B7R0.2 CCC(C)CC(C)N Z2472857681 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.2 COC(=O)CC(C)N Z169856728 [0,2,0,0,0,0|1,0,1]=4 253 B7R0.2 COC(C)CC(=O)O Z431536426 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.3 CCC(N)CCOC Z818738108 [0,2,0,0,0,0|1,0,0]=3 255 B7R0.3 CCC(O)CCCN Z1259162031 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.3 CCCCC(=O)CC Z406378226 [0,2,0,0,0,0|2,0,0]=4 257 B7R0.3 CCCCC(C)NC Z446022384 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.3 CCCCC(N)CC Z3303777618 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.3 CCCCC(N)CN Z756921038 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.3 CCCCN(C)N=O Z1198149449 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.3 CCNCC(=O)OC Z138464962 [0,2,0,0,0,0|1,0,1]=4 262 B7R0.3 CCNCC(C)CC Z335456758 [0,2,0,0,0,0|2,0,0]=4 263 B7R0.3 CCNCC(O)CC Z600449680 [0,2,0,0,0,0|2,0,0]=4 264 B7R0.3 CCOCC(O)CN Z271097110 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.3 CCOCC(O)CO Z1178483452 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.3 CCSCC(C)NC Z1238713281 [0,2,0,0,0,0|1,1,0]=4 267 B7R0.3 CNC(=N)CCOC Z2739543518 [0,2,0,0,0,0|1,0,0]=3 268 B7R0.3 CNCCC(=O)NC Z852427258 [0,2,0,0,0,0|2,0,0]=4 269 B7R0.3 CNCCC(=O)OC Z140562916 [0,2,0,0,0,0|1,0,0]=3 270 B7R0.3 COC(=O)CCC#N Z1179894109 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.3 COCCC(C)CN Z879061310 [0,2,0,0,0,0|1,0,0]=3 272 B7R0.5 CCCC(C)C(C)N Z2737299926 [0,2,0,0,0,0|2,0,0]=4 273 B7R0.5 CNCC(C)C(C)C Z3894049929 [0,2,0,0,0,0|2,0,0]=4 274 B7R0.5 CNCC(N)C(C)C Z756920458 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.5 COCC(=O)C(C)C Z825742022 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.5 COCC(C)C(=O)O Z431541094 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.5 COCC(N)C(C)C Z825742262 [0,2,0,0,0,0|1,0,0]=3 279 B7R0.7 C#CCC(N)COC Z969112126 [0,2,0,0,0,0|1,0,1]=4 280 B7R0.7 CCCC(C)CCN Z2768767726 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.7 CCCC(C)CNC Z3214687920 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.7 CCCC(O)CCO Z1198158209 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.7 CCNC(C)COC Z1245537976 [0,2,0,0,0,0|1,0,0]=3 284 B7R0.7 CCOC(=N)CSC Z4498865780 [0,2,0,0,0,0|0,1,1]=4 285 B7R0.7 CCOC(=O)CNC Z1262237263 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.7 CCOC(C)OCC Z104476998 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.7 CNCC(C)COC Z905006554 [0,2,0,0,0,0|1,0,0]=3 288 B7R0.7 CNCC(O)COC Z406679976 [0,2,0,0,0,0|1,0,0]=3 289 B7R0.7 COCC(N)CCO Z1238548168 [0,2,0,0,0,0|1,0,0]=3 290 B7R0.7 COCC(O)CCN Z1182310348 [0,2,0,0,0,0|1,0,0]=3 291 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,2,0,0,0,0|1,0,1]=4 292 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.10 CNC(=N)C(C)OC Z2759956061 [0,2,0,0,0,0|1,0,1]=4 294 B7R0.10 COC(=O)C(C)SC Z821313006 [0,2,0,0,0,0|0,1,1]=4 295 B7R0.11 CCC(C)(N)COC Z4185518785 [0,2,0,0,0,0|1,0,0]=3 296 B7R0.11 CNC(C)(C)COC Z1093758072 [0,2,0,0,0,0|1,0,0]=3 297 B7R0.11 CNCC(C)(C)NC Z4308916979 [0,2,0,0,0,0|2,0,0]=4 298 B7R0.11 COC(C)(C)CCN Z2739025483 [0,2,0,0,0,0|2,0,0]=4 299 B7R0.11 COCC(C)(C)C#N Z1255429538 [0,2,0,0,0,0|2,0,0]=4 300 B7R0.11 COCC(C)(C)CN Z2188171555 [0,2,0,0,0,0|2,0,0]=4 301 B7R0.11 COCC(C)(C)CO Z1198238137 [0,2,0,0,0,0|2,0,0]=4 302 B7R0.11 COCC(C)(N)C#N Z898336310 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.11 COCC(C)(N)CN Z992447310 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.11 COCC(C)(N)CO Z992449368 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.11 COCC(C)(O)CN Z992449016 [0,2,0,0,0,0|2,0,0]=4 306 B7R0.12 CCCC(CO)OC Z2050356185 [0,2,0,0,0,0|1,0,0]=3 307 B7R0.12 COCC(C#N)OC Z1416162543 [0,2,0,0,0,0|0,0,0]=2 308 B7R0.12 COCC(CN)OC Z1820007612 [0,2,0,0,0,0|0,0,0]=2 309 B7R0.4 CC(C)CCCCN Z1250132304 [0,2,0,0,0,0|2,0,0]=4 310 B7R0.4 CC(C)OCCC#N Z317037874 [0,2,0,0,0,0|2,0,0]=4 311 B7R0.4 CC(C)OCCCN Z2677507870 [0,2,0,0,0,0|2,0,0]=4 312 B7R0.4 CC(C)OCCCO Z1080358780 [0,2,0,0,0,0|2,0,0]=4 313 B7R0.4 CC(N)CCCCN Z2186882580 [0,2,0,0,0,0|2,0,0]=4 314 B7R0.4 CC(N)CCCCO Z2234185667 [0,2,0,0,0,0|2,0,0]=4 315 B7R0.4 CCCCCC(C)N Z104495176 [0,2,0,0,0,0|2,0,0]=4 316 B7R0.4 CCCCOC(=O)N Z104476286 [0,2,0,0,0,0|1,0,1]=4 317 B7R0.4 CCCNCC(C)C Z90518190 [0,2,0,0,0,0|2,0,0]=4 318 B7R0.4 CCCSCC(=O)C Z447929234 [0,2,0,0,0,0|2,0,0]=4 319 B7R0.4 CCOCCC(=O)O Z316258938 [0,2,0,0,0,0|2,0,0]=4 320 B7R0.4 CN(C)CCCCN Z285162754 [0,2,0,0,0,0|2,0,0]=4 321 B7R0.4 CNCCCN(C)C Z138118060 [0,2,0,0,0,0|2,0,0]=4 322 B7R0.4 CNCCNC(=O)C Z1456777974 [0,2,0,0,0,0|2,0,0]=4 323 B7R0.4 COCCCC(=N)N Z1267882086 [0,2,0,0,0,0|1,0,1]=4 324 B7R0.4 COCCCC(=O)C Z406376722 [0,2,0,0,0,0|1,0,0]=3 325 B7R0.4 COCCCC(=O)O Z316258912 [0,2,0,0,0,0|1,0,1]=4 326 B7R0.4 COCCCC(C)O Z854048762 [0,2,0,0,0,0|1,0,0]=3 327 B7R0.4 COCCCN(C)C Z2894648941 [0,2,0,0,0,0|1,0,0]=3 328 B7R0.4 COCCNC(=O)N Z56904572 [0,2,0,0,0,0|1,0,1]=4 329 B7R0.4 COCOCC(=N)N Z1723549321 [0,2,0,0,0,0|2,0,0]=4 330 B7R0.6 CC(N)CCN(C)C Z316119490 [0,2,0,0,0,0|2,0,0]=4 331 B7R0.6 CC(N)CCS(=O)C Z1269750451 [0,2,0,0,0,0|1,1,0]=4 332 B7R0.6 CN(C)CCN(C)C Z56755629 [0,2,0,0,0,0|2,0,0]=4 333 B7R0.8 CCCCC(C)(C)N Z4437707785 [0,2,0,0,0,0|2,0,0]=4 334 B7R0.8 CNCCC(C)(C)C Z2380417739 [0,2,0,0,0,0|2,0,0]=4 335 B7R0.8 CNCCC(C)(C)N Z2313105672 [0,2,0,0,0,0|2,0,0]=4 336 B7R0.8 CNCCS(=O)(=O)C Z235580952 [0,2,0,0,0,0|1,1,0]=4 337 B7R0.8 COCCC(C)(C)N Z879061970 [0,2,0,0,0,0|1,0,0]=3 338 B7R0.8 COCCS(=O)(=O)N Z425361010 [0,2,0,0,0,0|1,1,0]=4 339 B7R0.1 C#CCOCCCN Z4502872707 [0,2,0,0,0,0|2,0,0]=4 340 B7R0.1 CC#CCCCCO Z1233226212 [0,2,0,0,0,0|2,0,0]=4 341 B7R0.1 CCCCCCCO Z104473596 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.1 CCCCCCNC Z5419328797 [0,2,0,0,0,0|2,0,0]=4 343 B7R0.1 CCCCOCCN Z409191398 [0,2,0,0,0,0|1,0,0]=3 344 B7R0.1 CCCOCCCO Z1080358966 [0,2,0,0,0,0|2,0,0]=4 345 B7R0.1 CCNCCOCC Z138138014 [0,2,0,0,0,0|1,0,0]=3 346 B7R0.1 CCOCCCC#N Z295205414 [0,2,0,0,0,0|1,0,1]=4 347 B7R0.1 CCOCCCCO Z993012560 [0,2,0,0,0,0|1,0,0]=3 348 B7R0.1 CNCCCCCN Z4097840720 [0,2,0,0,0,0|2,0,0]=4 349 B7R0.1 CNCCCCOC Z875082126 [0,2,0,0,0,0|1,0,0]=3 350 B7R0.1 COCCCCC#N Z815260498 [0,2,0,0,0,0|1,0,0]=3 351 B7R0.1 COCCCCCN Z608347192 [0,2,0,0,0,0|1,0,0]=3 352 B7R0.1 COCCCCCO Z993012416 [0,2,0,0,0,0|1,0,0]=3 353 B7R0.1 COCCNCCF Z2512872814 [0,2,0,0,0,0|1,0,0]=3 354 B7R0.1 COCCNCCN Z2940670642 [0,2,0,0,0,0|1,0,0]=3 355 B7R0.1 COCCNCCO Z266088374 [0,2,0,0,0,0|1,0,0]=3 356 B7R0.1 COCCOCC#N Z295206426 [0,2,0,0,0,0|0,0,0]=2 357 B7R0.1 COCCOCCN Z285178622 [0,2,0,0,0,0|0,0,0]=2 358 B7R0.1 COCCOCCO Z849748688 [0,2,0,0,0,0|0,0,0]=2 359 B7R0.1 CSCCCCC#N Z823282284 [0,2,0,0,0,0|1,1,0]=4 360 B7R0.1 CSCCCCCN Z823285026 [0,2,0,0,0,0|1,1,0]=4 361 B7R0.1 CSCCCCCO Z968557058 [0,2,0,0,0,0|1,1,0]=4 362 B7R0.1 CSCCCCSC Z1198148193 [0,2,0,0,0,0|0,2,0]=4 363 B7R0.1 NCCCCCCN Z104473514 [0,2,0,0,0,0|2,0,0]=4 364 B7R0.1 NCCOCCCO Z2044949087 [0,2,0,0,0,0|2,0,0]=4 365 B7R0.1 OCCCCCCBr Z1255398867 [0,2,0,0,0,0|2,0,0]=4 366 B7R0.1 OCCCCCCO Z104473540 [0,2,0,0,0,0|2,0,0]=4 367 B7R0.1 OCCCOCCO Z1373668758 [0,2,0,0,0,0|2,0,0]=4 368 B5R1.2 NC1CCC1 Z1266823158 [1,0,0,1,0,0|2,0,0]=4 369 B5R1.2 NC1COC1 Z317054188 [1,0,0,1,0,0|1,0,0]=3 370 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|2,0,0]=4 371 B5R1.2 OC1CNC1 Z1012638850 [1,0,0,1,0,0|1,0,0]=3 372 B5R1.2 OC1COC1 Z1123686553 [1,0,0,1,0,0|0,0,0]=2 373 B5R1.3 CNC1CC1 Z138412880 [1,0,0,1,0,0|1,0,0]=3 374 B5R1.3 ClCC1CO1 Z104473190 [1,0,0,1,0,0|1,0,0]=3 375 B5R1.3 N#CC1CC1 Z247612572 [1,0,0,1,0,0|2,0,0]=4 376 B5R1.3 OCC1CC1 Z104479000 [1,0,0,1,0,0|1,0,0]=3 377 B5R1.3 OCC1CO1 Z104476180 [1,0,0,1,0,0|0,0,0]=2 378 B5R1.3 OC[C@@H]1CO1 Z1222330631 [1,0,0,1,0,0|0,0,0]=2 379 B5R1.3 OC[C@H]1CO1 Z1222330633 [1,0,0,1,0,0|0,0,0]=2 380 B5R1.4 CC1CC1N Z406520774 [1,0,0,1,0,0|2,0,0]=4 381 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [1,0,0,1,0,0|2,0,0]=4 382 B7R1.1 CCC1CCCN1 Z281773802 [0,1,0,1,0,0|2,0,0]=4 383 B7R1.1 CCC1CCNC1 Z1407004100 [0,1,0,1,0,0|2,0,0]=4 384 B7R1.1 CNC1CCCC1 Z102766802 [0,1,0,1,0,0|2,0,0]=4 385 B7R1.1 CNC1CCOC1 Z1079260566 [0,1,0,1,0,0|1,0,0]=3 386 B7R1.1 CNC1CCSC1 Z102767000 [0,1,0,1,0,0|1,1,0]=4 387 B7R1.1 COC1=NCCC1 Z147641734 [0,1,0,1,0,0|1,0,1]=4 388 B7R1.1 CO[C@@H]1CCNC1 Z1335657682 [0,1,0,1,0,0|1,0,0]=3 389 B7R1.1 CO[C@H]1CCNC1 Z1335657810 [0,1,0,1,0,0|1,0,0]=3 390 B7R1.1 N#CC1CCOC1 Z605647006 [0,1,0,1,0,0|1,0,1]=4 391 B7R1.1 NCC1=NOCC1 Z3217343112 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.1 NCC1CCCC1 Z367452206 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.1 NCC1COCO1 Z2298138033 [0,1,0,1,0,0|2,0,0]=4 394 B7R1.1 O=CC1CCOC1 Z199056102 [0,1,0,1,0,0|1,0,1]=4 395 B7R1.1 O=NN1CCOC1 Z1198157988 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.1 OCC1CCCC1 Z397587414 [0,1,0,1,0,0|2,0,0]=4 397 B7R1.1 OCC1CCNC1 Z976722188 [0,1,0,1,0,0|2,0,0]=4 398 B7R1.1 OCC1CCOC1 Z335245192 [0,1,0,1,0,0|1,0,0]=3 399 B7R1.1 OCC1CCSC1 Z1201679855 [0,1,0,1,0,0|1,1,0]=4 400 B7R1.2 CC1CC(CO1)N Z2418414350 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.2 CC1CCC(C1)O Z1233224917 [0,1,0,1,0,0|2,0,0]=4 402 B7R1.2 CC1CCC(N1)C Z1413780490 [0,1,0,1,0,0|2,0,0]=4 403 B7R1.2 CC1CNC(C1)C Z1250222491 [0,1,0,1,0,0|2,0,0]=4 404 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,1,0,0|2,0,0]=4 405 B7R1.2 C[C@H]1CC[C@H](N1)C Z3244812696 [0,1,0,1,0,0|2,0,0]=4 406 B7R1.3 C=C1CCNCC1 Z1124146875 [0,1,0,1,0,0|2,0,0]=4 407 B7R1.3 CC1=CCCNC1 Z2143573194 [0,1,0,1,0,0|2,0,0]=4 408 B7R1.3 CC1CNCCN1 Z104480242 [0,1,0,1,0,0|2,0,0]=4 409 B7R1.3 CC1CNCCO1 Z204013884 [0,1,0,1,0,0|1,0,0]=3 410 B7R1.3 CC1CNCCS1 Z334686272 [0,1,0,1,0,0|1,1,0]=4 411 B7R1.3 CC1COCCN1 Z336087928 [0,1,0,1,0,0|1,0,0]=3 412 B7R1.3 CC1CSCCN1 Z334686282 [0,1,0,1,0,0|1,1,0]=4 413 B7R1.3 CN1CCNCC1 Z57834041 [0,1,0,1,0,0|2,0,0]=4 414 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [0,1,0,1,0,0|2,0,0]=4 415 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [0,1,0,1,0,0|2,0,0]=4 416 B7R1.3 FC1CCNCC1 Z1741960061 [0,1,0,1,0,0|2,0,0]=4 417 B7R1.3 NC1CCCCC1 Z1945707495 [0,1,0,1,0,0|2,0,0]=4 418 B7R1.3 NC1CCCOC1 Z1013492300 [0,1,0,1,0,0|1,0,0]=3 419 B7R1.3 NC1CCCSC1 Z1029463244 [0,1,0,1,0,0|1,1,0]=4 420 B7R1.3 NC1CCOCC1 Z600428352 [0,1,0,1,0,0|1,0,0]=3 421 B7R1.3 NC1CCSCC1 Z992716928 [0,1,0,1,0,0|1,1,0]=4 422 B7R1.3 O=C1CCCCC1 Z104474256 [0,1,0,1,0,0|2,0,0]=4 423 B7R1.3 O=C1CCCCO1 Z432085120 [0,1,0,1,0,0|1,0,1]=4 424 B7R1.3 O=C1CCNCC1 Z1741959513 [0,1,0,1,0,0|2,0,0]=4 425 B7R1.3 O=S1CCNCC1 Z1263714072 [0,1,0,1,0,0|1,1,0]=4 426 B7R1.3 OC1CCCCC1 Z104473498 [0,1,0,1,0,0|2,0,0]=4 427 B7R1.3 OC1CCCSC1 Z993818972 [0,1,0,1,0,0|1,1,0]=4 428 B7R1.3 OC1CCNCC1 Z56347197 [0,1,0,1,0,0|2,0,0]=4 429 B7R1.3 OC1CCOCC1 Z1359429523 [0,1,0,1,0,0|1,0,0]=3 430 B7R1.3 OC1CCONC1 Z3325124334 [0,1,0,1,0,0|2,0,0]=4 431 B7R1.3 OC1CNCCO1 Z1428160315 [0,1,0,1,0,0|1,0,0]=3 432 B7R1.3 OC1COCOC1 Z431564488 [0,1,0,1,0,0|2,0,0]=4 433 B7R1.4 C=C1COCC1N Z3066568668 [0,1,0,1,0,0|1,0,1]=4 434 B7R1.4 CC1=C(CNC1)C Z1203817906 [0,1,0,1,0,0|2,0,0]=4 435 B7R1.4 CC1CCCC1N Z1219738990 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.4 CC1CCNC1C Z1335657674 [0,1,0,1,0,0|2,0,0]=4 437 B7R1.4 CC1CNCC1C Z1281657986 [0,1,0,1,0,0|2,0,0]=4 438 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,1,0,1,0,0|2,0,0]=4 439 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,1,0,1,0,0|2,0,0]=4 440 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [0,1,0,1,0,0|2,0,0]=4 441 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,1,0,1,0,0|2,0,0]=4 442 B7R1.4 N[C@@H]1COC[C@@H]1F Z2756848808 [0,1,0,1,0,0|2,0,0]=4 443 B7R1.4 N[C@@H]1COC[C@H]1F Z4185697479 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.4 N[C@@H]1COC[C@H]1N Z2306914123 [0,1,0,1,0,0|2,0,0]=4 445 B7R1.5 CC1CC1CCN Z4888675966 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [0,1,0,1,0,0|2,0,0]=4 447 B7R1.5 CNCC1CC1C Z3752925195 [0,1,0,1,0,0|2,0,0]=4 448 B7R1.6 CCCC1CNC1 Z2310679174 [0,1,0,1,0,0|2,0,0]=4 449 B7R1.6 CCNC1CCC1 Z2144245483 [0,1,0,1,0,0|2,0,0]=4 450 B7R1.6 CNCC1CCC1 Z1692482598 [0,1,0,1,0,0|2,0,0]=4 451 B7R1.6 COCC1CCN1 Z2213893372 [0,1,0,1,0,0|1,0,0]=3 452 B7R1.6 NCCC1CCC1 Z1405445718 [0,1,0,1,0,0|2,0,0]=4 453 B7R1.6 O=CCC1COC1 Z1511884358 [0,1,0,1,0,0|1,0,1]=4 454 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [0,1,0,1,0,0|2,0,0]=4 455 B7R1.8 CO[C@@H]1CC[C@H]1N Z2311224799 [0,1,0,1,0,0|1,0,0]=3 456 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [0,1,0,1,0,0|2,0,0]=4 457 B7R1.10 C=C1CC(C1)NC Z3417039111 [0,1,0,1,0,0|2,0,0]=4 458 B7R1.10 CCC1CC(C1)N Z4130021870 [0,1,0,1,0,0|2,0,0]=4 459 B7R1.10 CNC1CC(C1)O Z1318186466 [0,1,0,1,0,0|2,0,0]=4 460 B7R1.10 CSC1CC(C1)N Z2724378300 [0,1,0,1,0,0|1,1,0]=4 461 B7R1.10 CS[C@H]1C[C@H](C1)N Z5055881160 [0,1,0,1,0,0|1,1,0]=4 462 B7R1.21 CC1(CO1)CCO Z1486026620 [0,1,0,1,0,0|2,0,0]=4 463 B7R1.21 CCCC1(CC1)N Z3072982019 [0,1,0,1,0,0|2,0,0]=4 464 B7R1.21 CCCC1(CO1)C Z1020679916 [0,1,0,1,0,0|1,0,0]=3 465 B7R1.21 CNCC1(CC1)F Z3243520361 [0,1,0,1,0,0|2,0,0]=4 466 B7R1.21 CNCC1(CC1)N Z5185499776 [0,1,0,1,0,0|2,0,0]=4 467 B7R1.21 COCC1(CC1)N Z2301519229 [0,1,0,1,0,0|1,0,0]=3 468 B7R1.21 COCC1(CO1)C Z1020679792 [0,1,0,1,0,0|0,0,0]=2 469 B7R1.22 CNC(C)C1CC1 Z270730248 [0,1,0,1,0,0|2,0,0]=4 470 B7R1.22 ClCC(Cl)C1CO1 Z1205657751 [0,1,0,1,0,0|2,0,0]=4 471 B7R1.25 CC1(COC1)C=O Z1198234536 [0,1,0,1,0,0|2,0,0]=4 472 B7R1.25 CCC1(CCC1)N Z1333043532 [0,1,0,1,0,0|2,0,0]=4 473 B7R1.25 CNC1(CCC1)C Z1255443634 [0,1,0,1,0,0|2,0,0]=4 474 B7R1.25 COC1(CNC1)C Z1198311233 [0,1,0,1,0,0|1,0,0]=3 475 B7R1.7 C=CCCC1CO1 Z1255485443 [0,1,0,1,0,0|1,0,1]=4 476 B7R1.7 CCCCC1CO1 Z1020679810 [0,1,0,1,0,0|1,0,0]=3 477 B7R1.7 CCNCC1CC1 Z1692483163 [0,1,0,1,0,0|2,0,0]=4 478 B7R1.7 CCOCC1CO1 Z271128258 [0,1,0,1,0,0|0,0,0]=2 479 B7R1.7 CNCCC1CC1 Z1480642691 [0,1,0,1,0,0|2,0,0]=4 480 B7R1.7 COCCC1CO1 Z1495386141 [0,1,0,1,0,0|0,0,0]=2 481 B7R1.7 NCCCC1CC1 Z2465611603 [0,1,0,1,0,0|2,0,0]=4 482 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,1,0,1,0,0|2,0,0]=4 483 B7R1.14 CC1(CCCC1)O Z449370856 [0,1,0,1,0,0|2,0,0]=4 484 B7R1.14 CC1(CCNC1)C Z1270207926 [0,1,0,1,0,0|2,0,0]=4 485 B7R1.14 CC1(CCNC1)O Z1139194384 [0,1,0,1,0,0|2,0,0]=4 486 B7R1.14 CC1(CCOC1)N Z1895741238 [0,1,0,1,0,0|1,0,0]=3 487 B7R1.14 CC1(CCSC1)N Z4990294346 [0,1,0,1,0,0|1,1,0]=4 488 B7R1.14 CC1(CCSC1)O Z1359841674 [0,1,0,1,0,0|1,1,0]=4 489 B7R1.14 CC1(CNOC1)O Z3035808330 [0,1,0,1,0,0|2,0,0]=4 490 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.18 CN(C)C1CNC1 Z1741979349 [0,1,0,1,0,0|2,0,0]=4 492 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,1,0,1,0,0|2,0,0]=4 493 B7R1.20 CC(C)CC1CO1 Z1020679872 [0,1,0,1,0,0|1,0,0]=3 494 B7R1.23 CNC1CC1(C)C Z1895742049 [0,1,0,1,0,0|2,0,0]=4 495 B7R1.24 C1=CCCNCC1 Z1255363448 [0,1,0,1,0,0|2,0,0]=4 496 B7R1.24 C1CCCNCC1 Z57127566 [0,1,0,1,0,0|2,0,0]=4 497 B7R1.24 C1CCNOCC1 Z1824482753 [0,1,0,1,0,0|1,0,0]=3 498 B7R1.24 C1CNCCOC1 Z359510198 [0,1,0,1,0,0|1,0,0]=3 499 B7R1.24 C1CNCCSC1 Z1954803255 [0,1,0,1,0,0|1,1,0]=4 500 B7R1.24 C1CSSCCN1 Z1203735354 [0,1,0,1,0,0|1,1,0]=4 501 B7R2.13 C1=CC2OC2C1 Z1238546190 [0,0,0,2,0,0|1,0,1]=4 502 B7R2.13 C1CC2CC2N1 Z1964347529 [0,0,0,2,0,0|2,0,0]=4 503 B7R2.13 C1CC2OC2C1 Z255149904 [0,0,0,2,0,0|1,0,0]=3 504 B7R2.13 C1NCC2C1C2 Z1270630267 [0,0,0,2,0,0|2,0,0]=4 505 B7R2.11 C1NC2CC1C2 Z3074473459 [0,0,0,2,0,0|2,0,0]=4 506 B7R2.1 C1CC1C2CO2 Z1020679808 [0,0,0,2,0,0|1,0,0]=3 507 B7R2.16 C1CC2(C1)CO2 Z1198320605 [0,0,0,2,0,0|1,0,0]=3