0 B8R0.4 C#CCCCCCCBr B590235 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.4 C#CCCCCCCN O587273 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.4 C#CCCCCCCO O136501 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.4 C(CCCBr)CCC#N B354089 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.4 C(CCCBr)CCCBr D106496 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.4 C(CCCN)CCCN D111099 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.4 C(CCCN)CCCO A493194 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.4 C(CCCO)CCCBr B132089 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.4 C(CCCO)CCCO H136447 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.4 C(CN)CNCCCN D155042 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.4 C(CNCCCO)CO H302815 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.4 C(CO)COCCCO O588346 [0,0,0,0,0,0|2,1,0]=3 12 B8R0.4 C(CO)CSCCCO T472193 [0,0,0,0,0,0|2,0,0]=2 13 B8R0.4 C(COCCCCl)CCl B194288 [0,0,0,0,0,0|2,1,0]=3 14 B8R0.4 C=CCCCCCCBr B134900 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.4 C=CCCCCCCO O159908 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.4 CCC=CCCCCO C153379 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.4 CCCCC#CCCO O159921 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.4 CCCCC=CCCO C153378 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.4 CCCCCC#CCC N159650 [0,0,0,0,0,0|1,0,2]=3 20 B8R0.4 CCCCCC#CCCl C154112 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.4 CCCCCC=CCO T161811 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.4 CCCCCCCC#C N100831 [0,0,0,0,0,0|1,0,2]=3 23 B8R0.4 CCCCCCCC=C N109555 [0,0,0,0,0,0|1,0,2]=3 24 B8R0.4 CCCCCCCC=C N110481 [0,0,0,0,0,0|1,0,2]=3 25 B8R0.4 CCCCCCCC=O O106930 [0,0,0,0,0,0|2,0,1]=3 26 B8R0.4 CCCCCCCC=O O106931 [0,0,0,0,0,0|2,0,1]=3 27 B8R0.4 CCCCCCCC=O O345608 [0,0,0,0,0,0|2,0,1]=3 28 B8R0.4 CCCCCCCCBr B105260 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.4 CCCCCCCCC N103391 [0,0,0,0,0,0|1,0,0]=1 30 B8R0.4 CCCCCCCCC N103392 [0,0,0,0,0,0|1,0,0]=1 31 B8R0.4 CCCCCCCCC N103393 [0,0,0,0,0,0|1,0,0]=1 32 B8R0.4 CCCCCCCCC N119711 [0,0,0,0,0,0|1,0,0]=1 33 B8R0.4 CCCCCCCCCl C111401 [0,0,0,0,0,0|2,0,0]=2 34 B8R0.4 CCCCCCCCCl C111402 [0,0,0,0,0,0|2,0,0]=2 35 B8R0.4 CCCCCCCCF F170468 [0,0,0,0,0,0|2,0,0]=2 36 B8R0.4 CCCCCCCCI I157580 [0,0,0,0,0,0|2,0,0]=2 37 B8R0.4 CCCCCCCCN N159007 [0,0,0,0,0,0|2,0,0]=2 38 B8R0.4 CCCCCCCCN N159690 [0,0,0,0,0,0|2,0,0]=2 39 B8R0.4 CCCCCCCCN O110545 [0,0,0,0,0,0|2,0,0]=2 40 B8R0.4 CCCCCCCCN O110546 [0,0,0,0,0,0|2,0,0]=2 41 B8R0.4 CCCCCCCCN O491873 [0,0,0,0,0,0|2,0,0]=2 42 B8R0.4 CCCCCCCCN O492190 [0,0,0,0,0,0|2,0,0]=2 43 B8R0.4 CCCCCCCCO O103324 [0,0,0,0,0,0|2,0,0]=2 44 B8R0.4 CCCCCCCCO O103325 [0,0,0,0,0,0|2,0,0]=2 45 B8R0.4 CCCCCCCCO O103326 [0,0,0,0,0,0|2,0,0]=2 46 B8R0.4 CCCCCCCCO O119018 [0,0,0,0,0,0|2,0,0]=2 47 B8R0.4 CCCCCCCCO O119679 [0,0,0,0,0,0|2,0,0]=2 48 B8R0.4 CCCCCCCCO O491594 [0,0,0,0,0,0|2,0,0]=2 49 B8R0.4 CCCCCCCCS O105587 [0,0,0,0,0,0|2,0,0]=2 50 B8R0.4 CCCCCCCC[CH2-] N332405 [0,0,0,0,0,0|1,0,1]=2 51 B8R0.4 CCCCCCCC[NH3+] N290338 [0,0,0,0,0,0|2,0,0]=2 52 B8R0.4 CCCCCCCSC H157103 [0,0,0,0,0,0|2,0,0]=2 53 B8R0.4 CCCCCCN=C=O H157416 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.4 CCCCCCN=C=S H140517 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.4 CCCCCCOC=O H113684 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.4 CCCCCCON=O H157340 [0,0,0,0,0,0|4,0,0]=4 57 B8R0.4 CCCCNCCCC D111219 [0,0,0,0,0,0|1,0,0]=1 58 B8R0.4 CCCCNCCCC D189175 [0,0,0,0,0,0|1,0,0]=1 59 B8R0.4 CCCCNCCCC D345139 [0,0,0,0,0,0|1,0,0]=1 60 B8R0.4 CCCCNCCCC D404365 [0,0,0,0,0,0|1,0,0]=1 61 B8R0.4 CCCCNCCCC D404367 [0,0,0,0,0,0|1,0,0]=1 62 B8R0.4 CCCCNCCCC D431482 [0,0,0,0,0,0|1,0,0]=1 63 B8R0.4 CCCCNCCCC D494160 [0,0,0,0,0,0|1,0,0]=1 64 B8R0.4 CCCCOCCC#N B152448 [0,0,0,0,0,0|1,1,1]=3 65 B8R0.4 CCCCOCCCC B110451 [0,0,0,0,0,0|0,1,0]=1 66 B8R0.4 CCCCOCCCC B110452 [0,0,0,0,0,0|0,1,0]=1 67 B8R0.4 CCCCOCCCC B110453 [0,0,0,0,0,0|0,1,0]=1 68 B8R0.4 CCCCOCCCC B119693 [0,0,0,0,0,0|0,1,0]=1 69 B8R0.4 CCCCOCCCC B194104 [0,0,0,0,0,0|0,1,0]=1 70 B8R0.4 CCCCOCCCN B152034 [0,0,0,0,0,0|1,1,0]=2 71 B8R0.4 CCCCSCCCC B136661 [0,0,0,0,0,0|0,0,0]=0 72 B8R0.4 CCNCCCNCC D124208 [0,0,0,0,0,0|3,0,0]=3 73 B8R0.4 CCOCCOCCO D104410 [0,0,0,0,0,0|4,0,0]=4 74 B8R0.4 CCOCCOCCO D104411 [0,0,0,0,0,0|4,0,0]=4 75 B8R0.4 CCOCCOCCO D104412 [0,0,0,0,0,0|4,0,0]=4 76 B8R0.4 COCCCCCOC D155548 [0,0,0,0,0,0|3,0,0]=3 77 B8R0.4 COCCNCCOC B152060 [0,0,0,0,0,0|3,0,0]=3 78 B8R0.4 COCCOCCCBr M158050 [0,0,0,0,0,0|2,1,0]=3 79 B8R0.4 COCCOCCOC M104413 [0,0,0,0,0,0|2,1,0]=3 80 B8R0.4 COCCOCCOC M104414 [0,0,0,0,0,0|2,1,0]=3 81 B8R0.4 COCCOCCOC M104417 [0,0,0,0,0,0|2,1,0]=3 82 B8R0.4 COCCOCCOC M104418 [0,0,0,0,0,0|2,1,0]=3 83 B8R0.4 COCCOCCOC M104420 [0,0,0,0,0,0|2,1,0]=3 84 B8R0.4 COCCOCCOC M104422 [0,0,0,0,0,0|2,1,0]=3 85 B8R0.4 COCCOCCOC M615388 [0,0,0,0,0,0|2,1,0]=3 86 B7R0.1 C#CCCCCCO H135241 [1,0,0,0,0,0|1,0,2]=4 87 B7R0.1 C(CCC#N)CCN A303171 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.1 C(CCCBr)CCBr D106541 [1,0,0,0,0,0|2,0,0]=3 89 B7R0.1 C(CCCBr)CCCl B111196 [1,0,0,0,0,0|2,0,0]=3 90 B7R0.1 C(CCCBr)CCF B405383 [1,0,0,0,0,0|2,0,0]=3 91 B7R0.1 C(CCCBr)CCO B138834 [1,0,0,0,0,0|2,0,0]=3 92 B7R0.1 C(CCCBr)CCO S304692 [1,0,0,0,0,0|2,0,0]=3 93 B7R0.1 C(CCCCl)CCCl D110131 [1,0,0,0,0,0|2,0,0]=3 94 B7R0.1 C(CCCCl)CCO C109454 [1,0,0,0,0,0|2,0,0]=3 95 B7R0.1 C(CCCI)CCCl C153665 [1,0,0,0,0,0|2,0,0]=3 96 B7R0.1 C(CCCI)CCI D119377 [1,0,0,0,0,0|2,0,0]=3 97 B7R0.1 C(CCCN)CCN D134228 [1,0,0,0,0,0|2,0,0]=3 98 B7R0.1 C(CCCN)CCN H103908 [1,0,0,0,0,0|2,0,0]=3 99 B7R0.1 C(CCCN)CCN H103909 [1,0,0,0,0,0|2,0,0]=3 100 B7R0.1 C(CCCN)CCN H103910 [1,0,0,0,0,0|2,0,0]=3 101 B7R0.1 C(CCCO)CCN A101232 [1,0,0,0,0,0|2,0,0]=3 102 B7R0.1 C(CCCO)CCO H103707 [1,0,0,0,0,0|2,0,0]=3 103 B7R0.1 C(CCCO)CCO H103708 [1,0,0,0,0,0|2,0,0]=3 104 B7R0.1 C(CCCS)CCN A487010 [1,0,0,0,0,0|2,0,0]=3 105 B7R0.1 C(CCCS)CCO M123042 [1,0,0,0,0,0|2,0,0]=3 106 B7R0.1 C(CCCS)CCO M299208 [1,0,0,0,0,0|2,0,0]=3 107 B7R0.1 C(CCCS)CCS H106695 [1,0,0,0,0,0|2,0,0]=3 108 B7R0.1 C(CCC[NH3+])CC[NH3+] H292837 [1,0,0,0,0,0|2,0,0]=3 109 B7R0.1 C(CCC[NH3+])CC[NH3+] H292848 [1,0,0,0,0,0|2,0,0]=3 110 B7R0.1 C(CCC[NH3+])CC[NH3+] H492699 [1,0,0,0,0,0|2,0,0]=3 111 B7R0.1 C(CN)CNCCO N184580 [1,0,0,0,0,0|3,0,0]=4 112 B7R0.1 C(CN)CNCCS A134805 [1,0,0,0,0,0|3,0,0]=4 113 B7R0.1 C(CNCCN)CO N159094 [1,0,0,0,0,0|3,0,0]=4 114 B7R0.1 C(CSSCCN)N C153647 [1,0,0,0,0,0|3,0,0]=4 115 B7R0.1 C(CSSCCN)N C424758 [1,0,0,0,0,0|3,0,0]=4 116 B7R0.1 C(CSSCCN)N C597659 [1,0,0,0,0,0|3,0,0]=4 117 B7R0.1 C(CSSCCN)N D589340 [1,0,0,0,0,0|3,0,0]=4 118 B7R0.1 C(CSSCCO)O B152479 [1,0,0,0,0,0|3,0,0]=4 119 B7R0.1 C(CSSCCO)O B298701 [1,0,0,0,0,0|3,0,0]=4 120 B7R0.1 C(CSSCCO)O B598951 [1,0,0,0,0,0|3,0,0]=4 121 B7R0.1 C=CCCCCCBr B134159 [1,0,0,0,0,0|1,0,2]=4 122 B7R0.1 C=CCCCCCO H156869 [1,0,0,0,0,0|1,0,2]=4 123 B7R0.1 CCC=CCCCO C153484 [1,0,0,0,0,0|1,0,2]=4 124 B7R0.1 CCCC#CCCC O106927 [1,0,0,0,0,0|0,0,2]=3 125 B7R0.1 CCCC#CCCO H157374 [1,0,0,0,0,0|1,0,2]=4 126 B7R0.1 CCCC=CCCC C153585 [1,0,0,0,0,0|0,0,2]=3 127 B7R0.1 CCCC=CCCC T161815 [1,0,0,0,0,0|0,0,2]=3 128 B7R0.1 CCCC=CCCO C332847 [1,0,0,0,0,0|1,0,2]=4 129 B7R0.1 CCCCC=CCC C153584 [1,0,0,0,0,0|0,0,2]=3 130 B7R0.1 CCCCC=CCC T161817 [1,0,0,0,0,0|0,0,2]=3 131 B7R0.1 CCCCC=CCO T161435 [1,0,0,0,0,0|1,0,2]=4 132 B7R0.1 CCCCCC=CC C153583 [1,0,0,0,0,0|0,0,2]=3 133 B7R0.1 CCCCCC=CC O159996 [1,0,0,0,0,0|0,0,2]=3 134 B7R0.1 CCCCCC=CC T161814 [1,0,0,0,0,0|0,0,2]=3 135 B7R0.1 CCCCCCC#C O109633 [1,0,0,0,0,0|0,0,2]=3 136 B7R0.1 CCCCCCC#N H156965 [1,0,0,0,0,0|1,0,1]=3 137 B7R0.1 CCCCCCC=C O108659 [1,0,0,0,0,0|0,0,2]=3 138 B7R0.1 CCCCCCC=C O108660 [1,0,0,0,0,0|0,0,2]=3 139 B7R0.1 CCCCCCC=O H105934 [1,0,0,0,0,0|1,0,1]=3 140 B7R0.1 CCCCCCC=O H105935 [1,0,0,0,0,0|1,0,1]=3 141 B7R0.1 CCCCCCCBr B109258 [1,0,0,0,0,0|1,0,0]=2 142 B7R0.1 CCCCCCCC O100577 [1,0,0,0,0,0|0,0,0]=1 143 B7R0.1 CCCCCCCC O100578 [1,0,0,0,0,0|0,0,0]=1 144 B7R0.1 CCCCCCCC O100580 [1,0,0,0,0,0|0,0,0]=1 145 B7R0.1 CCCCCCCC O100581 [1,0,0,0,0,0|0,0,0]=1 146 B7R0.1 CCCCCCCC O119714 [1,0,0,0,0,0|0,0,0]=1 147 B7R0.1 CCCCCCCCl C153657 [1,0,0,0,0,0|1,0,0]=2 148 B7R0.1 CCCCCCCI I157581 [1,0,0,0,0,0|1,0,0]=2 149 B7R0.1 CCCCCCCN H113175 [1,0,0,0,0,0|1,0,0]=2 150 B7R0.1 CCCCCCCO H108210 [1,0,0,0,0,0|1,0,0]=2 151 B7R0.1 CCCCCCCO H108211 [1,0,0,0,0,0|1,0,0]=2 152 B7R0.1 CCCCCCCO H108212 [1,0,0,0,0,0|1,0,0]=2 153 B7R0.1 CCCCCCCS H102322 [1,0,0,0,0,0|1,0,0]=2 154 B7R0.1 CCCCCCNC N341547 [1,0,0,0,0,0|1,0,0]=2 155 B7R0.1 CCCCCCOC H157292 [1,0,0,0,0,0|1,0,0]=2 156 B7R0.1 CCCCCN=C=O P352487 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.1 CCCCCOC=O A151451 [1,0,0,0,0,0|2,0,1]=4 158 B7R0.1 CCCCCON=O A151126 [1,0,0,0,0,0|3,0,0]=4 159 B7R0.1 CCCCNCCN N159361 [1,0,0,0,0,0|2,0,0]=3 160 B7R0.1 CCCCNCCO B140397 [1,0,0,0,0,0|2,0,0]=3 161 B7R0.1 CCCCNCCO B299088 [1,0,0,0,0,0|2,0,0]=3 162 B7R0.1 CCCCNCCS B469395 [1,0,0,0,0,0|2,0,0]=3 163 B7R0.1 CCCCOCC=C A151096 [1,0,0,0,0,0|0,1,2]=4 164 B7R0.1 CCCCOCCCl B152831 [1,0,0,0,0,0|1,1,0]=3 165 B7R0.1 CCCCOCCN B357161 [1,0,0,0,0,0|1,1,0]=3 166 B7R0.1 CCCCOCCO E110823 [1,0,0,0,0,0|1,1,0]=3 167 B7R0.1 CCCCOCCO E110827 [1,0,0,0,0,0|1,1,0]=3 168 B7R0.1 CCCNCCCN I168897 [1,0,0,0,0,0|2,0,0]=3 169 B7R0.1 CCCNCCOC N158962 [1,0,0,0,0,0|2,0,0]=3 170 B7R0.1 CCCSSCC=C A103096 [1,0,0,0,0,0|1,0,2]=4 171 B7R0.1 CCCSSCCC D102910 [1,0,0,0,0,0|1,0,0]=2 172 B7R0.1 CCNCCNCC N159359 [1,0,0,0,0,0|2,0,0]=3 173 B7R0.1 CCOCCOCC E103986 [1,0,0,0,0,0|2,0,0]=3 174 B7R0.1 CCOCCOCC E103987 [1,0,0,0,0,0|2,0,0]=3 175 B7R0.1 CCOCCOCC E103989 [1,0,0,0,0,0|2,0,0]=3 176 B7R0.1 COCCOCCBr B152835 [1,0,0,0,0,0|2,1,0]=4 177 B7R0.1 COCCOCCI I586239 [1,0,0,0,0,0|2,1,0]=4 178 B7R0.1 COCCOCCN M122033 [1,0,0,0,0,0|2,1,0]=4 179 B7R0.1 COCCOCCO D104406 [1,0,0,0,0,0|2,1,0]=4 180 B7R0.1 COCCOCCO D104407 [1,0,0,0,0,0|2,1,0]=4 181 B7R0.1 COCCOCCO D104408 [1,0,0,0,0,0|2,1,0]=4 182 B9R0.2 CC(C)CCCCCC=O M333901 [0,1,0,0,0,0|2,0,1]=4 183 B9R0.2 CC(C)NCCCCCO I157485 [0,1,0,0,0,0|3,0,0]=4 184 B9R0.2 CCCCCCCC(=O)C N105585 [0,1,0,0,0,0|1,0,1]=3 185 B9R0.2 CCCCCCCC(=O)Cl O101697 [0,1,0,0,0,0|2,0,1]=4 186 B9R0.2 CCCCCCCC(=O)N N159412 [0,1,0,0,0,0|2,0,1]=4 187 B9R0.2 CCCCCCCC(=O)O N421038 [0,1,0,0,0,0|2,0,1]=4 188 B9R0.2 CCCCCCCC(=O)O O108276 [0,1,0,0,0,0|2,0,1]=4 189 B9R0.2 CCCCCCCC(=O)O O108277 [0,1,0,0,0,0|2,0,1]=4 190 B9R0.2 CCCCCCCC(=O)O O108278 [0,1,0,0,0,0|2,0,1]=4 191 B9R0.2 CCCCCCCC(=O)O O108279 [0,1,0,0,0,0|2,0,1]=4 192 B9R0.2 CCCCCCCC(=O)O O431649 [0,1,0,0,0,0|2,0,1]=4 193 B9R0.2 CCCCCCCC(=O)O R113304 [0,1,0,0,0,0|2,0,1]=4 194 B9R0.2 CCCCCCCC(=O)[O-] L340331 [0,1,0,0,0,0|2,0,1]=4 195 B9R0.2 CCCCCCCC(=O)[O-] S113206 [0,1,0,0,0,0|2,0,1]=4 196 B9R0.2 CCCCCCCC(=O)[O-] S117847 [0,1,0,0,0,0|2,0,1]=4 197 B9R0.2 CCCCCCCC(=O)[O-] S491233 [0,1,0,0,0,0|2,0,1]=4 198 B9R0.2 CCCCCCCC(C)C M158518 [0,1,0,0,0,0|1,0,0]=2 199 B9R0.2 CCCCCCCC(C)C M406711 [0,1,0,0,0,0|1,0,0]=2 200 B9R0.2 CCCCCCCC(C)O N159697 [0,1,0,0,0,0|1,0,0]=2 201 B9R0.2 CCCCCCCC(C)O N298586 [0,1,0,0,0,0|1,0,0]=2 202 B9R0.2 CCCCCCOC(=O)C H111061 [0,1,0,0,0,0|2,0,1]=4 203 B9R0.2 CCCCCCOC(=O)C H111062 [0,1,0,0,0,0|2,0,1]=4 204 B9R0.2 CCCCCCOC(=O)C H111063 [0,1,0,0,0,0|2,0,1]=4 205 B9R0.2 CCCNCCCN(C)C D587926 [0,1,0,0,0,0|3,0,0]=4 206 B9R0.2 CN(C)CCCCCCO D133261 [0,1,0,0,0,0|3,0,0]=4 207 B9R0.5 CCCCCC(=O)CCC N158991 [0,1,0,0,0,0|1,0,1]=3 208 B9R0.5 CCCCCC(=O)OCC E103497 [0,1,0,0,0,0|2,0,1]=4 209 B9R0.5 CCCCCC(=O)OCC E103498 [0,1,0,0,0,0|2,0,1]=4 210 B9R0.5 CCCCCC(=O)OCC E103499 [0,1,0,0,0,0|2,0,1]=4 211 B9R0.5 CCCCCC(C)CCC M158520 [0,1,0,0,0,0|1,0,0]=2 212 B9R0.5 CCCCOC(=O)CCC B103463 [0,1,0,0,0,0|0,1,1]=3 213 B9R0.5 CCCCOC(=O)CCC B103464 [0,1,0,0,0,0|0,1,1]=3 214 B9R0.5 CCCCOC(=O)CCS B340486 [0,1,0,0,0,0|1,1,1]=4 215 B9R0.18 C(CC(=O)CCCCl)CCl D193277 [0,1,0,0,0,0|3,0,0]=4 216 B9R0.18 CCCCC(=O)CCCC N102321 [0,1,0,0,0,0|1,0,0]=2 217 B9R0.18 CCCCC(C)CCCC M158523 [0,1,0,0,0,0|1,0,0]=2 218 B9R0.18 CCCCC(CCCC)O N159700 [0,1,0,0,0,0|1,0,0]=2 219 B9R0.18 CCCCN(C)CCCC I169712 [0,1,0,0,0,0|1,0,0]=2 220 B9R0.18 CCCCN(C)CCCC N494461 [0,1,0,0,0,0|1,0,0]=2 221 B9R0.18 CCCCS(=O)CCCC D155298 [0,1,0,0,0,0|0,0,1]=2 222 B9R0.18 CCCC[Sn](=O)CCCC D112984 [0,1,0,0,0,0|1,0,0]=2 223 B9R0.18 CCCOC(=O)OCCC D107452 [0,1,0,0,0,0|3,0,0]=4 224 B9R0.18 CCOCC(COCC)O D154147 [0,1,0,0,0,0|3,0,0]=4 225 B9R0.18 CN(CCCN)CCCN B105353 [0,1,0,0,0,0|3,0,0]=4 226 B9R0.18 CNCCN(C)CCNC N159344 [0,1,0,0,0,0|3,0,0]=4 227 B9R0.45 C(CCCCBr)CCCBr D106497 [0,1,0,0,0,0|2,0,0]=3 228 B9R0.45 C(CCCCBr)CCCO B153197 [0,1,0,0,0,0|2,0,0]=3 229 B9R0.45 C(CCCCBr)CCCO B467865 [0,1,0,0,0,0|2,0,0]=3 230 B9R0.45 C(CCCCCl)CCCCl D155002 [0,1,0,0,0,0|2,0,0]=3 231 B9R0.45 C(CCCCCl)CCCO C134369 [0,1,0,0,0,0|2,0,0]=3 232 B9R0.45 C(CCCCI)CCCI D155008 [0,1,0,0,0,0|2,0,0]=3 233 B9R0.45 C(CCCCI)CCCI D473785 [0,1,0,0,0,0|2,0,0]=3 234 B9R0.45 C(CCCCN)CCCN D106924 [0,1,0,0,0,0|2,0,0]=3 235 B9R0.45 C(CCCCN)CCCN O292851 [0,1,0,0,0,0|2,0,0]=3 236 B9R0.45 C(CCCCN)CCCN O492961 [0,1,0,0,0,0|2,0,0]=3 237 B9R0.45 C(CCCCO)CCCN A151057 [0,1,0,0,0,0|2,0,0]=3 238 B9R0.45 C(CCCCO)CCCO O106925 [0,1,0,0,0,0|2,0,0]=3 239 B9R0.45 C(CCCCS)CCCS O109630 [0,1,0,0,0,0|2,0,0]=3 240 B9R0.45 C(CCNCCCN)CN N136556 [0,1,0,0,0,0|2,0,0]=3 241 B9R0.45 C(CCNCCCN)CN N493987 [0,1,0,0,0,0|2,0,0]=3 242 B9R0.45 C(CCNCCCN)CN S107071 [0,1,0,0,0,0|2,0,0]=3 243 B9R0.45 C(CCNCCCN)CN S416439 [0,1,0,0,0,0|2,0,0]=3 244 B9R0.45 C(CCNCCCN)CN S421040 [0,1,0,0,0,0|2,0,0]=3 245 B9R0.45 C=CCCCCCCCBr B405165 [0,1,0,0,0,0|1,0,2]=4 246 B9R0.45 CCC=CCCCCCO N117508 [0,1,0,0,0,0|1,0,2]=4 247 B9R0.45 CCCC#CC#CCCC D155783 [0,1,0,0,0,0|1,0,2]=4 248 B9R0.45 CCCCC#CCCCC D155794 [0,1,0,0,0,0|1,0,0]=2 249 B9R0.45 CCCCC=CCCCC C153572 [0,1,0,0,0,0|1,0,0]=2 250 B9R0.45 CCCCCC#CCCO N159701 [0,1,0,0,0,0|1,0,2]=4 251 B9R0.45 CCCCCC=CCCO C153389 [0,1,0,0,0,0|1,0,2]=4 252 B9R0.45 CCCCCCC=CCO C153388 [0,1,0,0,0,0|1,0,2]=4 253 B9R0.45 CCCCCCC=CCO T162746 [0,1,0,0,0,0|1,0,2]=4 254 B9R0.45 CCCCCCCCC#C D301987 [0,1,0,0,0,0|1,0,1]=3 255 B9R0.45 CCCCCCCCC#N N158917 [0,1,0,0,0,0|1,0,1]=3 256 B9R0.45 CCCCCCCCC=C D106872 [0,1,0,0,0,0|1,0,1]=3 257 B9R0.45 CCCCCCCCC=C D106873 [0,1,0,0,0,0|1,0,1]=3 258 B9R0.45 CCCCCCCCC=O N111142 [0,1,0,0,0,0|1,0,1]=3 259 B9R0.45 CCCCCCCCCBr B105786 [0,1,0,0,0,0|1,0,0]=2 260 B9R0.45 CCCCCCCCCC D105229 [0,1,0,0,0,0|1,0,0]=2 261 B9R0.45 CCCCCCCCCC D105230 [0,1,0,0,0,0|1,0,0]=2 262 B9R0.45 CCCCCCCCCC D105231 [0,1,0,0,0,0|1,0,0]=2 263 B9R0.45 CCCCCCCCCC D105232 [0,1,0,0,0,0|1,0,0]=2 264 B9R0.45 CCCCCCCCCC D119691 [0,1,0,0,0,0|1,0,0]=2 265 B9R0.45 CCCCCCCCCCl C153658 [0,1,0,0,0,0|1,0,0]=2 266 B9R0.45 CCCCCCCCCI I157582 [0,1,0,0,0,0|1,0,0]=2 267 B9R0.45 CCCCCCCCCN N106767 [0,1,0,0,0,0|1,0,0]=2 268 B9R0.45 CCCCCCCCCO N105713 [0,1,0,0,0,0|1,0,0]=2 269 B9R0.45 CCCCCCCCCO N105714 [0,1,0,0,0,0|1,0,0]=2 270 B9R0.45 CCCCCCCCCO N301992 [0,1,0,0,0,0|1,0,0]=2 271 B9R0.45 CCCCCCCCCS N102324 [0,1,0,0,0,0|1,0,0]=2 272 B9R0.45 CCCCCCCCNC N159069 [0,1,0,0,0,0|1,0,0]=2 273 B9R0.45 CCCCCCCCSC M135102 [0,1,0,0,0,0|1,0,0]=2 274 B9R0.45 CCCCCCCN=C=S H140574 [0,1,0,0,0,0|2,0,1]=4 275 B9R0.45 CCCCCCCNCC E124207 [0,1,0,0,0,0|1,0,0]=2 276 B9R0.45 CCCCCCNCCN B301384 [0,1,0,0,0,0|2,0,0]=3 277 B9R0.45 CCCCCCOCCO E107697 [0,1,0,0,0,0|2,0,0]=3 278 B9R0.45 CCCCCCOCCO E107698 [0,1,0,0,0,0|2,0,0]=3 279 B9R0.45 CCCCNCCCCO B151924 [0,1,0,0,0,0|1,0,0]=2 280 B9R0.45 CCCCSSCCCC D154917 [0,1,0,0,0,0|0,0,0]=1 281 B9R0.45 CCCCSSCCCC D154922 [0,1,0,0,0,0|0,0,0]=1 282 B9R0.45 CCOCCCCOCC D357158 [0,1,0,0,0,0|2,0,0]=3 283 B9R0.45 CCOCCOCCOC D302026 [0,1,0,0,0,0|1,1,0]=3 284 B9R0.45 CNCCCCCCNC N159351 [0,1,0,0,0,0|2,0,0]=3 285 B9R0.45 COCCCCCCOC D155368 [0,1,0,0,0,0|2,0,0]=3 286 B9R0.46 CCCCCCC(=O)CC N158994 [0,1,0,0,0,0|1,0,1]=3 287 B9R0.46 CCCCCCC(=O)OC M158054 [0,1,0,0,0,0|2,0,1]=4 288 B9R0.46 CCCCCCC(=O)OC M158149 [0,1,0,0,0,0|2,0,1]=4 289 B9R0.46 CCCCCCC(C)CC M158519 [0,1,0,0,0,0|1,0,0]=2 290 B9R0.46 CCCCCCC(CC)O N159698 [0,1,0,0,0,0|1,0,0]=2 291 B9R0.46 CCCCCCC(CO)O O108069 [0,1,0,0,0,0|2,0,0]=3 292 B9R0.46 CCCCCOC(=O)CC P137733 [0,1,0,0,0,0|2,0,1]=4 293 B9R1.8 C#CCC1CCCCC1 C111193 [0,0,0,1,0,0|1,0,2]=4 294 B9R1.8 C1CCC(=CC1)CCN C153571 [0,0,0,1,0,0|2,0,1]=4 295 B9R1.8 C1CCC(CC1)CC#N C589137 [0,0,0,1,0,0|2,0,1]=4 296 B9R1.8 C1CCC(CC1)CCBr B113782 [0,0,0,1,0,0|2,0,0]=3 297 B9R1.8 C1CCC(CC1)CCN C153966 [0,0,0,1,0,0|2,0,0]=3 298 B9R1.8 C1CCC(CC1)CCO C153306 [0,0,0,1,0,0|2,0,0]=3 299 B9R1.8 C1CCC(CC1)OCCl C153433 [0,0,0,1,0,0|3,0,0]=4 300 B9R1.8 C1CCN(CC1)CCCl C113518 [0,0,0,1,0,0|3,0,0]=4 301 B9R1.8 C1CCN(CC1)CCN A113914 [0,0,0,1,0,0|3,0,0]=4 302 B9R1.8 C1CCN(CC1)CCN P189302 [0,0,0,1,0,0|3,0,0]=4 303 B9R1.8 C1CCN(CC1)CCO H113280 [0,0,0,1,0,0|3,0,0]=4 304 B9R1.8 C1CCNC(C1)CCO P160104 [0,0,0,1,0,0|2,0,0]=3 305 B9R1.8 C1CCNC(C1)CCO R195067 [0,0,0,1,0,0|2,0,0]=3 306 B9R1.8 C1CCNC(C1)CCO S186630 [0,0,0,1,0,0|2,0,0]=3 307 B9R1.8 C1CCNC(C1)CCO S189442 [0,0,0,1,0,0|2,0,0]=3 308 B9R1.8 C1CNCCC1CCO P121582 [0,0,0,1,0,0|3,0,0]=4 309 B9R1.8 C1CNCCC1CCO P590668 [0,0,0,1,0,0|3,0,0]=4 310 B9R1.8 C1COC(OC1)CCBr B113749 [0,0,0,1,0,0|2,1,0]=4 311 B9R1.8 C1COCCC1CCN A184236 [0,0,0,1,0,0|3,0,0]=4 312 B9R1.8 C1COCCC1CCN A482649 [0,0,0,1,0,0|3,0,0]=4 313 B9R1.8 C=CCC1CCCCC1 A151092 [0,0,0,1,0,0|1,0,2]=4 314 B9R1.8 CCCC1CCCCC1 P160285 [0,0,0,1,0,0|1,0,0]=2 315 B9R1.8 CCCN1CCNCC1 P160720 [0,0,0,1,0,0|3,0,0]=4 316 B9R1.8 CCCN1CCNCC1 P588168 [0,0,0,1,0,0|3,0,0]=4 317 B9R1.8 CCNC1CCCCC1 E124549 [0,0,0,1,0,0|2,0,0]=3 318 B9R1.8 CCOC1CCCNC1 E347267 [0,0,0,1,0,0|3,0,0]=4 319 B9R1.8 COCC1CCNCC1 M176390 [0,0,0,1,0,0|3,0,0]=4 320 B9R1.8 COCC1CCNCC1 M195826 [0,0,0,1,0,0|3,0,0]=4 321 B9R1.8 COCC1CNCCO1 R190852 [0,0,0,1,0,0|2,1,0]=4 322 B9R1.8 COCC1COCCN1 M196070 [0,0,0,1,0,0|3,0,0]=4 323 B9R1.12 C1CCC(C1)CCCO C348026 [0,0,0,1,0,0|2,0,0]=3 324 B9R1.12 C1CCN(C1)CCCCl C176841 [0,0,0,1,0,0|2,0,0]=3 325 B9R1.12 C1CCN(C1)CCCCl C193196 [0,0,0,1,0,0|2,0,0]=3 326 B9R1.12 C1CCN(C1)CCCN A113933 [0,0,0,1,0,0|2,0,0]=3 327 B9R1.12 C1CCN(C1)CCCO P191873 [0,0,0,1,0,0|2,0,0]=3 328 B9R1.12 CCCCN1CCCC1 B123038 [0,0,0,1,0,0|1,0,0]=2 329 B9R1.14 CCN1CCCC1CN A102507 [0,0,0,1,0,0|3,0,0]=4 330 B9R1.14 CCN1CCCC1CN A110239 [0,0,0,1,0,0|3,0,0]=4 331 B9R1.14 CCN1CCCC1CN R300604 [0,0,0,1,0,0|3,0,0]=4 332 B9R1.14 COC1CNCC1OC C177197 [0,0,0,1,0,0|3,0,0]=4 333 B9R1.15 CCC1CCCCC1C E156070 [0,0,0,1,0,0|1,0,0]=2 334 B9R1.15 CCC1CCCCC1O E156074 [0,0,0,1,0,0|2,0,0]=3 335 B9R1.15 CN1CCCCC1CO M106741 [0,0,0,1,0,0|3,0,0]=4 336 B9R1.33 CN1CCCC1CCN A102047 [0,0,0,1,0,0|3,0,0]=4 337 B9R1.33 CN1CCCC1CCO M102052 [0,0,0,1,0,0|3,0,0]=4 338 B9R1.50 C1CC=CCCC(C1)O C193374 [0,0,0,1,0,0|2,0,1]=4 339 B9R1.50 C1CC=CCCC(C1)O E487313 [0,0,0,1,0,0|2,0,1]=4 340 B9R1.50 C1CCCC(=O)CCC1 C106984 [0,0,0,1,0,0|2,0,1]=4 341 B9R1.50 C1CCCC(CCC1)N C153969 [0,0,0,1,0,0|2,0,0]=3 342 B9R1.50 C1CCCC(CCC1)O C153307 [0,0,0,1,0,0|2,0,0]=3 343 B9R1.83 CCCCCCC1CO1 E113793 [0,0,0,1,0,0|2,0,0]=3 344 B9R1.83 CCCCOCC1CO1 B152235 [0,0,0,1,0,0|1,1,0]=3 345 B9R1.89 C1CCNCC(C1)CO A177665 [0,0,0,1,0,0|2,0,0]=3 346 B9R1.103 C1CNCCNCCN1 T162094 [0,0,0,1,0,0|3,0,0]=4 347 B9R1.103 C1CNCCNCCN1 T162147 [0,0,0,1,0,0|3,0,0]=4 348 B6R0.6 C(CCBr)CCBr D106538 [2,0,0,0,0,0|2,0,0]=4 349 B6R0.6 C(CCCl)CCBr B109691 [2,0,0,0,0,0|2,0,0]=4 350 B6R0.6 C(CCCl)CCCl D105687 [2,0,0,0,0,0|2,0,0]=4 351 B6R0.6 C(CCF)CCBr B303673 [2,0,0,0,0,0|2,0,0]=4 352 B6R0.6 C(CCI)CCI D155300 [2,0,0,0,0,0|2,0,0]=4 353 B6R0.6 C(CCN)CCN D111805 [2,0,0,0,0,0|2,0,0]=4 354 B6R0.6 C(CCN)CCN D121817 [2,0,0,0,0,0|2,0,0]=4 355 B6R0.6 C(CCN)CCN D283638 [2,0,0,0,0,0|2,0,0]=4 356 B6R0.6 C(CCN)CCN D421724 [2,0,0,0,0,0|2,0,0]=4 357 B6R0.6 C(CCN)CCO A107210 [2,0,0,0,0,0|2,0,0]=4 358 B6R0.6 C(CCN)CCO A565375 [2,0,0,0,0,0|2,0,0]=4 359 B6R0.6 C(CCO)CCBr B135090 [2,0,0,0,0,0|2,0,0]=4 360 B6R0.6 C(CCO)CCCl C153897 [2,0,0,0,0,0|2,0,0]=4 361 B6R0.6 C(CCO)CCO P105588 [2,0,0,0,0,0|2,0,0]=4 362 B6R0.6 C(CCS)CCS P102332 [2,0,0,0,0,0|2,0,0]=4 363 B6R0.6 C(CSCCS)S B152744 [2,0,0,0,0,0|2,0,0]=4 364 B6R0.6 CCCCCC#C H100842 [2,0,0,0,0,0|0,0,2]=4 365 B6R0.6 CCCCCC#N H157040 [2,0,0,0,0,0|1,0,1]=4 366 B6R0.6 CCCCCC=C H110653 [2,0,0,0,0,0|0,0,2]=4 367 B6R0.6 CCCCCC=C H110654 [2,0,0,0,0,0|0,0,2]=4 368 B6R0.6 CCCCCC=C H110655 [2,0,0,0,0,0|0,0,2]=4 369 B6R0.6 CCCCCC=O C109199 [2,0,0,0,0,0|1,0,1]=4 370 B6R0.6 CCCCCC=O C109200 [2,0,0,0,0,0|1,0,1]=4 371 B6R0.6 CCCCCCBr B105244 [2,0,0,0,0,0|1,0,0]=3 372 B6R0.6 CCCCCCBr B471923 [2,0,0,0,0,0|1,0,0]=3 373 B6R0.6 CCCCCCC H108102 [2,0,0,0,0,0|0,0,0]=2 374 B6R0.6 CCCCCCC H108103 [2,0,0,0,0,0|0,0,0]=2 375 B6R0.6 CCCCCCC H108105 [2,0,0,0,0,0|0,0,0]=2 376 B6R0.6 CCCCCCC H108108 [2,0,0,0,0,0|0,0,0]=2 377 B6R0.6 CCCCCCC H108111 [2,0,0,0,0,0|0,0,0]=2 378 B6R0.6 CCCCCCC H108112 [2,0,0,0,0,0|0,0,0]=2 379 B6R0.6 CCCCCCC H118382 [2,0,0,0,0,0|0,0,0]=2 380 B6R0.6 CCCCCCC H119701 [2,0,0,0,0,0|0,0,0]=2 381 B6R0.6 CCCCCCCl C109280 [2,0,0,0,0,0|1,0,0]=3 382 B6R0.6 CCCCCCCl C109281 [2,0,0,0,0,0|1,0,0]=3 383 B6R0.6 CCCCCCI I157578 [2,0,0,0,0,0|1,0,0]=3 384 B6R0.6 CCCCCCN H105333 [2,0,0,0,0,0|1,0,0]=3 385 B6R0.6 CCCCCCN H157035 [2,0,0,0,0,0|1,0,0]=3 386 B6R0.6 CCCCCCN H292813 [2,0,0,0,0,0|1,0,0]=3 387 B6R0.6 CCCCCCN H491868 [2,0,0,0,0,0|1,0,0]=3 388 B6R0.6 CCCCCCO H103420 [2,0,0,0,0,0|1,0,0]=3 389 B6R0.6 CCCCCCO H103421 [2,0,0,0,0,0|1,0,0]=3 390 B6R0.6 CCCCCCO H103422 [2,0,0,0,0,0|1,0,0]=3 391 B6R0.6 CCCCCCO H103423 [2,0,0,0,0,0|1,0,0]=3 392 B6R0.6 CCCCCCO H119678 [2,0,0,0,0,0|1,0,0]=3 393 B6R0.6 CCCCCCS H100786 [2,0,0,0,0,0|1,0,0]=3 394 B6R0.6 CCCCCCS H299109 [2,0,0,0,0,0|1,0,0]=3 395 B6R0.6 CCCCCC[NH3+] H292817 [2,0,0,0,0,0|1,0,0]=3 396 B6R0.6 CCCCCC[NH3+] H492547 [2,0,0,0,0,0|1,0,0]=3 397 B6R0.6 CCCCCC[Si] H357381 [2,0,0,0,0,0|0,1,0]=3 398 B6R0.6 CCCCCNC M124210 [2,0,0,0,0,0|1,0,0]=3 399 B6R0.6 CCCCCSC A151354 [2,0,0,0,0,0|1,0,0]=3 400 B6R0.6 CCCCNCC N158928 [2,0,0,0,0,0|1,0,0]=3 401 B6R0.6 CCCCSCC B152507 [2,0,0,0,0,0|0,0,0]=2 402 B6R0.6 CCCNCCC D100329 [2,0,0,0,0,0|1,0,0]=3 403 B6R0.6 CCCNCCC D100330 [2,0,0,0,0,0|1,0,0]=3 404 B6R0.6 CCCNCCC D154684 [2,0,0,0,0,0|1,0,0]=3 405 B6R0.6 CCCNCCC D404364 [2,0,0,0,0,0|1,0,0]=3 406 B6R0.6 CCCNCCN N336391 [2,0,0,0,0,0|2,0,0]=4 407 B6R0.6 CCCOCCC P160596 [2,0,0,0,0,0|0,1,0]=3 408 B6R0.6 CCCOCCCl C137234 [2,0,0,0,0,0|1,1,0]=4 409 B6R0.6 CCCOCCN P160362 [2,0,0,0,0,0|1,1,0]=4 410 B6R0.6 CCCOCCO P107659 [2,0,0,0,0,0|1,1,0]=4 411 B6R0.6 CCCOCCO P299319 [2,0,0,0,0,0|1,1,0]=4 412 B6R0.6 CCCSCC=C A135608 [2,0,0,0,0,0|0,0,2]=4 413 B6R0.6 CCCSCCC D102909 [2,0,0,0,0,0|0,0,0]=2 414 B6R0.6 CCNCCCO E300231 [2,0,0,0,0,0|2,0,0]=4 415 B6R0.6 CCOCCCN E156297 [2,0,0,0,0,0|1,1,0]=4 416 B6R0.6 CCOCCCO E108059 [2,0,0,0,0,0|1,1,0]=4 417 B6R0.6 CCOCCOC E331012 [2,0,0,0,0,0|1,1,0]=4 418 B6R0.6 CCOCOCC D109106 [2,0,0,0,0,0|1,1,0]=4 419 B6R0.6 CCOCOCC D139939 [2,0,0,0,0,0|1,1,0]=4 420 B6R0.6 CCSCCCO E300079 [2,0,0,0,0,0|1,0,0]=3 421 B6R0.6 CCSSSCC D405733 [2,0,0,0,0,0|2,0,0]=4 422 B6R0.6 CNCCCCO M193351 [2,0,0,0,0,0|2,0,0]=4 423 B6R0.6 CNCCCNC D124206 [2,0,0,0,0,0|2,0,0]=4 424 B6R0.6 COCCCCBr B152834 [2,0,0,0,0,0|2,0,0]=4 425 B6R0.6 COCCCCO B152046 [2,0,0,0,0,0|2,0,0]=4 426 B6R0.6 CSCCCCO M468928 [2,0,0,0,0,0|2,0,0]=4 427 B8R0.1 CCCC(=O)OCCC P100043 [1,1,0,0,0,0|0,1,1]=4 428 B8R0.1 CCCC(=O)OCCC P100044 [1,1,0,0,0,0|0,1,1]=4 429 B8R0.1 CCCCC(=O)CCC O160045 [1,1,0,0,0,0|0,0,1]=3 430 B8R0.1 CCCCC(=O)OCC E105293 [1,1,0,0,0,0|1,0,1]=4 431 B8R0.1 CCCCC(=O)OCC E105294 [1,1,0,0,0,0|1,0,1]=4 432 B8R0.1 CCCCC(=O)OCC E118465 [1,1,0,0,0,0|1,0,1]=4 433 B8R0.1 CCCCC(CCC)O O159906 [1,1,0,0,0,0|0,0,0]=2 434 B8R0.6 C(CCO)CC(CO)O H105564 [1,1,0,0,0,0|2,0,0]=4 435 B8R0.6 CCCCCC(=O)CC O106928 [1,1,0,0,0,0|0,0,1]=3 436 B8R0.6 CCCCCC(=O)CC O106929 [1,1,0,0,0,0|0,0,1]=3 437 B8R0.6 CCCCCC(=O)OC M112312 [1,1,0,0,0,0|1,0,1]=4 438 B8R0.6 CCCCCC(=O)OC M112313 [1,1,0,0,0,0|1,0,1]=4 439 B8R0.6 CCCCCC(=O)OC M112314 [1,1,0,0,0,0|1,0,1]=4 440 B8R0.6 CCCCCC(C#C)O O113758 [1,1,0,0,0,0|0,0,2]=4 441 B8R0.6 CCCCCC(C)CC M158522 [1,1,0,0,0,0|0,0,0]=2 442 B8R0.6 CCCCCC(C=C)O O102968 [1,1,0,0,0,0|0,0,2]=4 443 B8R0.6 CCCCCC(C=C)O S463982 [1,1,0,0,0,0|0,0,2]=4 444 B8R0.6 CCCCCC(CC)O O159907 [1,1,0,0,0,0|0,0,0]=2 445 B8R0.6 CCCCOC(=O)CC B152863 [1,1,0,0,0,0|0,1,1]=4 446 B8R0.6 CCCOCC(CO)O O353306 [1,1,0,0,0,0|1,1,0]=4 447 B8R0.7 B(CCCCCC)(O)O H299977 [1,1,0,0,0,0|2,0,0]=4 448 B8R0.7 CC(C)NCCCCO I157483 [1,1,0,0,0,0|2,0,0]=4 449 B8R0.7 CCCCCCC(=O)C O111186 [1,1,0,0,0,0|0,0,1]=3 450 B8R0.7 CCCCCCC(=O)C O111187 [1,1,0,0,0,0|0,0,1]=3 451 B8R0.7 CCCCCCC(=O)Cl H102418 [1,1,0,0,0,0|1,0,1]=4 452 B8R0.7 CCCCCCC(=O)O H103518 [1,1,0,0,0,0|1,0,1]=4 453 B8R0.7 CCCCCCC(=O)O H103519 [1,1,0,0,0,0|1,0,1]=4 454 B8R0.7 CCCCCCC(=O)O H103520 [1,1,0,0,0,0|1,0,1]=4 455 B8R0.7 CCCCCCC(=O)O H431469 [1,1,0,0,0,0|1,0,1]=4 456 B8R0.7 CCCCCCC(=O)[O-] S161315 [1,1,0,0,0,0|1,0,1]=4 457 B8R0.7 CCCCCCC(C)Br B152446 [1,1,0,0,0,0|0,0,0]=2 458 B8R0.7 CCCCCCC(C)C M158524 [1,1,0,0,0,0|0,0,0]=2 459 B8R0.7 CCCCCCC(C)N A151716 [1,1,0,0,0,0|0,0,0]=2 460 B8R0.7 CCCCCCC(C)N I169738 [1,1,0,0,0,0|0,0,0]=2 461 B8R0.7 CCCCCCC(C)O O111525 [1,1,0,0,0,0|0,0,0]=2 462 B8R0.7 CCCCCCC(C)O O111526 [1,1,0,0,0,0|0,0,0]=2 463 B8R0.7 CCCCCCC(C)O O111527 [1,1,0,0,0,0|0,0,0]=2 464 B8R0.7 CCCCCCC(C)O O111528 [1,1,0,0,0,0|0,0,0]=2 465 B8R0.7 CCCCCCC(C)O R160889 [1,1,0,0,0,0|0,0,0]=2 466 B8R0.7 CCCCCCC(C)O S161171 [1,1,0,0,0,0|0,0,0]=2 467 B8R0.7 CCCCCCN(C)C N303722 [1,1,0,0,0,0|1,0,0]=3 468 B8R0.7 CCCCCOC(=O)C A103450 [1,1,0,0,0,0|1,0,1]=4 469 B8R0.7 CCCCCOC(=O)C A103451 [1,1,0,0,0,0|1,0,1]=4 470 B8R0.7 CCCCCOC(=O)C A103452 [1,1,0,0,0,0|1,0,1]=4 471 B8R0.7 CCCCOCC(C)O B151801 [1,1,0,0,0,0|0,1,0]=3 472 B10R0.3 CC(C)CCCC(C)CCBr B137574 [0,2,0,0,0,0|2,0,0]=4 473 B10R0.3 CC(C)CCCC(C)CCO T110148 [0,2,0,0,0,0|2,0,0]=4 474 B10R0.3 CCCC(=O)OCCC(C)C I108580 [0,2,0,0,0,0|0,1,1]=4 475 B10R0.3 CCCC(=O)OCCC(C)C I108581 [0,2,0,0,0,0|0,1,1]=4 476 B10R0.4 B(CCCCCCCC)(O)O N404820 [0,2,0,0,0,0|2,0,0]=4 477 B10R0.4 CC(C)CCCCCCCO I298943 [0,2,0,0,0,0|1,0,0]=3 478 B10R0.4 CCCCCCCCC(=O)C D139185 [0,2,0,0,0,0|1,0,0]=3 479 B10R0.4 CCCCCCCCC(=O)C D139186 [0,2,0,0,0,0|1,0,0]=3 480 B10R0.4 CCCCCCCCC(=O)C D464910 [0,2,0,0,0,0|1,0,0]=3 481 B10R0.4 CCCCCCCCC(=O)Cl N158955 [0,2,0,0,0,0|1,0,1]=4 482 B10R0.4 CCCCCCCCC(=O)Cl N158958 [0,2,0,0,0,0|1,0,1]=4 483 B10R0.4 CCCCCCCCC(=O)O N110892 [0,2,0,0,0,0|1,0,1]=4 484 B10R0.4 CCCCCCCCC(=O)O N110893 [0,2,0,0,0,0|1,0,1]=4 485 B10R0.4 CCCCCCCCC(=O)O N110894 [0,2,0,0,0,0|1,0,1]=4 486 B10R0.4 CCCCCCCCC(=O)O N110895 [0,2,0,0,0,0|1,0,1]=4 487 B10R0.4 CCCCCCCCC(=O)O N196934 [0,2,0,0,0,0|1,0,1]=4 488 B10R0.4 CCCCCCCCC(=O)O N420639 [0,2,0,0,0,0|1,0,1]=4 489 B10R0.4 CCCCCCCCC(=O)[O-] S161312 [0,2,0,0,0,0|1,0,1]=4 490 B10R0.4 CCCCCCCCC(C)C M304432 [0,2,0,0,0,0|1,0,0]=3 491 B10R0.4 CCCCCCCCC(C)O D154355 [0,2,0,0,0,0|1,0,0]=3 492 B10R0.4 CCCCCCCCN(C)C D106326 [0,2,0,0,0,0|1,0,0]=3 493 B10R0.4 CCCCCCCOC(=O)C H157248 [0,2,0,0,0,0|1,0,1]=4 494 B10R0.4 CCCCOCCOC(=O)C B111057 [0,2,0,0,0,0|0,1,1]=4 495 B10R0.4 CN(C)CCCNCCCN D124512 [0,2,0,0,0,0|2,0,0]=4 496 B10R0.6 CCCCOC(=O)CC(C)C B152732 [0,2,0,0,0,0|0,1,1]=4 497 B10R0.74 CCCCCCCC(=O)CC D154228 [0,2,0,0,0,0|1,0,0]=3 498 B10R0.74 CCCCCCCC(=O)OC M158053 [0,2,0,0,0,0|1,0,1]=4 499 B10R0.74 CCCCCCCC(=O)OC M158158 [0,2,0,0,0,0|1,0,1]=4 500 B10R0.74 CCCCCCCC(C=C)O D154363 [0,2,0,0,0,0|1,0,1]=4 501 B10R0.74 CCCCCCCC(CC)O D154380 [0,2,0,0,0,0|1,0,0]=3 502 B10R0.74 CCCCCCOC(=O)CC H157249 [0,2,0,0,0,0|1,0,1]=4 503 B10R0.78 CCCCC(=O)OCC(C)C I302149 [0,2,0,0,0,0|2,0,0]=4 504 B10R0.97 CC(C)CCNCCC(C)C D154175 [0,2,0,0,0,0|1,0,0]=3 505 B10R0.97 CC(C)CCOCCC(C)C I100402 [0,2,0,0,0,0|0,1,0]=3 506 B10R0.1 CCCCCCC(=O)CCC D154230 [0,2,0,0,0,0|1,0,0]=3 507 B10R0.1 CCCCCCC(=O)OCC E100047 [0,2,0,0,0,0|1,0,1]=4 508 B10R0.1 CCCCCCC(=O)OCC E305454 [0,2,0,0,0,0|1,0,1]=4 509 B10R0.1 CCCCCCC(CCC)O D154356 [0,2,0,0,0,0|1,0,0]=3 510 B10R0.1 CCCCCOC(=O)CCC A111359 [0,2,0,0,0,0|0,1,1]=4 511 B10R0.83 CCCCOC(=O)C(C)CC N303009 [0,2,0,0,0,0|0,1,1]=4 512 B10R0.91 CCCCC(=O)OCCCC B112311 [0,2,0,0,0,0|0,1,0]=3 513 B10R0.91 CCCCC(=O)OCCCC B115773 [0,2,0,0,0,0|0,1,0]=3 514 B10R0.91 CCCCCC(=O)OCCC P136440 [0,2,0,0,0,0|1,0,1]=4 515 B10R0.91 CCCCCC(CCCC)O D154357 [0,2,0,0,0,0|1,0,0]=3 516 B10R0.16 CCCCN(CCCC)C=O N159301 [0,2,0,0,0,0|1,0,0]=3 517 B10R0.16 CCCCN(CCCC)N=O N114395 [0,2,0,0,0,0|1,0,0]=3 518 B10R0.16 CCCCN(CCCC)N=O N118696 [0,2,0,0,0,0|1,0,0]=3 519 B10R0.16 CCCCN(CCCC)N=O N141187 [0,2,0,0,0,0|1,0,0]=3 520 B10R0.116 CCCCS(=O)(=O)CCCC D155130 [0,2,0,0,0,0|0,0,1]=3 521 B10R0.116 CCCC[Si](CCCC)(Cl)Cl D154191 [0,2,0,0,0,0|1,0,0]=3 522 B10R0.116 CCCC[Sn](CCCC)(Cl)Cl D114139 [0,2,0,0,0,0|1,0,0]=3 523 B10R0.116 CCCC[Sn](CCCC)(Cl)Cl D137748 [0,2,0,0,0,0|1,0,0]=3 524 B10R0.71 C#CCCCCCCCCO D154352 [0,2,0,0,0,0|1,0,1]=4 525 B10R0.71 C(CCCCBr)CCCCBr D122540 [0,2,0,0,0,0|1,0,0]=3 526 B10R0.71 C(CCCCCl)CCCCCl D404188 [0,2,0,0,0,0|1,0,0]=3 527 B10R0.71 C(CCCCN)CCCCN D185781 [0,2,0,0,0,0|1,0,0]=3 528 B10R0.71 C(CCCCO)CCCCBr B124493 [0,2,0,0,0,0|1,0,0]=3 529 B10R0.71 C(CCCCO)CCCCCl C589319 [0,2,0,0,0,0|1,0,0]=3 530 B10R0.71 C(CCCCO)CCCCO N133834 [0,2,0,0,0,0|1,0,0]=3 531 B10R0.71 C(CCCCS)CCCCS N102333 [0,2,0,0,0,0|1,0,0]=3 532 B10R0.71 C(CCCl)COCCCCCl B152803 [0,2,0,0,0,0|0,1,0]=3 533 B10R0.71 C=CCCCCCCCCBr B133959 [0,2,0,0,0,0|1,0,1]=4 534 B10R0.71 C=CCCCCCCCCO D155265 [0,2,0,0,0,0|1,0,1]=4 535 B10R0.71 CCCCC=CCCCCO T161773 [0,2,0,0,0,0|1,0,0]=3 536 B10R0.71 CCCCCC=CCCCO C153573 [0,2,0,0,0,0|1,0,1]=4 537 B10R0.71 CCCCCCCC#CCO D155777 [0,2,0,0,0,0|1,0,1]=4 538 B10R0.71 CCCCCCCCCC#N D154472 [0,2,0,0,0,0|1,0,0]=3 539 B10R0.71 CCCCCCCCCC=C U162898 [0,2,0,0,0,0|1,0,0]=3 540 B10R0.71 CCCCCCCCCC=C U162902 [0,2,0,0,0,0|1,0,0]=3 541 B10R0.71 CCCCCCCCCC=C U162903 [0,2,0,0,0,0|1,0,0]=3 542 B10R0.71 CCCCCCCCCC=O D105551 [0,2,0,0,0,0|1,0,0]=3 543 B10R0.71 CCCCCCCCCCBr B105788 [0,2,0,0,0,0|1,0,0]=3 544 B10R0.71 CCCCCCCCCCC N431487 [0,2,0,0,0,0|1,0,0]=3 545 B10R0.71 CCCCCCCCCCC U108239 [0,2,0,0,0,0|1,0,0]=3 546 B10R0.71 CCCCCCCCCCC U108240 [0,2,0,0,0,0|1,0,0]=3 547 B10R0.71 CCCCCCCCCCC U108241 [0,2,0,0,0,0|1,0,0]=3 548 B10R0.71 CCCCCCCCCCC U110889 [0,2,0,0,0,0|1,0,0]=3 549 B10R0.71 CCCCCCCCCCCl C104797 [0,2,0,0,0,0|1,0,0]=3 550 B10R0.71 CCCCCCCCCCI I157555 [0,2,0,0,0,0|1,0,0]=3 551 B10R0.71 CCCCCCCCCCN D107311 [0,2,0,0,0,0|1,0,0]=3 552 B10R0.71 CCCCCCCCCCN D292748 [0,2,0,0,0,0|1,0,0]=3 553 B10R0.71 CCCCCCCCCCN D492584 [0,2,0,0,0,0|1,0,0]=3 554 B10R0.71 CCCCCCCCCCO D103414 [0,2,0,0,0,0|1,0,0]=3 555 B10R0.71 CCCCCCCCCCO D103415 [0,2,0,0,0,0|1,0,0]=3 556 B10R0.71 CCCCCCCCCCS D102323 [0,2,0,0,0,0|1,0,0]=3 557 B10R0.71 CCCCCCCCN=C=O O120151 [0,2,0,0,0,0|1,0,1]=4 558 B10R0.71 CCCCCCCCN=C=S O140573 [0,2,0,0,0,0|1,0,1]=4 559 B10R0.71 CCCCCCCCNC=O N159413 [0,2,0,0,0,0|1,0,1]=4 560 B10R0.71 CCCCCCCCOC=O O302220 [0,2,0,0,0,0|1,0,1]=4 561 B10R0.71 CCCCCCNCCC#N H300337 [0,2,0,0,0,0|1,0,1]=4 562 B10R0.71 CCCCCNCCCCC D141107 [0,2,0,0,0,0|1,0,0]=3 563 B10R0.71 CCCCCOCCCCC D113292 [0,2,0,0,0,0|0,1,0]=3 564 B10R0.71 CCCCCSCCCCC A151356 [0,2,0,0,0,0|0,0,0]=2 565 B10R0.71 CCCCOCCOCCO B110647 [0,2,0,0,0,0|0,1,0]=3 566 B10R0.71 CCCCOCCOCCO B110648 [0,2,0,0,0,0|0,1,0]=3 567 B10R0.71 CCCCOCCOCCO B110651 [0,2,0,0,0,0|0,1,0]=3 568 B10R0.71 CCCCOCOCCCC D155924 [0,2,0,0,0,0|0,1,0]=3 569 B10R0.71 CCOCCNCCOCC B151921 [0,2,0,0,0,0|1,0,0]=3 570 B10R0.71 CCOCCOCCOCC E100702 [0,2,0,0,0,0|0,1,0]=3 571 B10R0.71 CCOCCOCCOCC E100703 [0,2,0,0,0,0|0,1,0]=3 572 B10R0.71 COCCOCCOCCBr B471551 [0,2,0,0,0,0|1,1,0]=4 573 B10R0.71 COCCOCCOCCN M122034 [0,2,0,0,0,0|1,1,0]=4 574 B10R0.71 COCCOCCOCCO T122357 [0,2,0,0,0,0|1,1,0]=4 575 B10R0.41 CCCCCCC(OC)OC D165350 [0,2,0,0,0,0|2,0,0]=4 576 B8R1.2 C#CC1CCCCC1 C334521 [1,0,0,1,0,0|0,0,2]=4 577 B8R1.2 C1CC(CNC1)CN A151610 [1,0,0,1,0,0|2,0,0]=4 578 B8R1.2 C1CC(CNC1)CO P160105 [1,0,0,1,0,0|2,0,0]=4 579 B8R1.2 C1CC(CNC1)CO S586410 [1,0,0,1,0,0|2,0,0]=4 580 B8R1.2 C1CC(CNC1)CO S587257 [1,0,0,1,0,0|2,0,0]=4 581 B8R1.2 C1CC(COC1)CO O174328 [1,0,0,1,0,0|1,1,0]=4 582 B8R1.2 C1CCC(CC1)C#N C194969 [1,0,0,1,0,0|1,0,1]=4 583 B8R1.2 C1CCC(CC1)C=O C109681 [1,0,0,1,0,0|1,0,1]=4 584 B8R1.2 C1CCC(CC1)CBr B121199 [1,0,0,1,0,0|1,0,0]=3 585 B8R1.2 C1CCC(CC1)CN C138894 [1,0,0,1,0,0|1,0,0]=3 586 B8R1.2 C1CCC(CC1)CN C303051 [1,0,0,1,0,0|1,0,0]=3 587 B8R1.2 C1CCC(CC1)CN C493236 [1,0,0,1,0,0|1,0,0]=3 588 B8R1.2 C1CCC(CC1)CO C106975 [1,0,0,1,0,0|1,0,0]=3 589 B8R1.2 C1CCC(CC1)NN C135804 [1,0,0,1,0,0|2,0,0]=4 590 B8R1.2 C1CCC(CC1)NO I169027 [1,0,0,1,0,0|2,0,0]=4 591 B8R1.2 C1CCNC(C1)CN P132846 [1,0,0,1,0,0|2,0,0]=4 592 B8R1.2 C1CCNC(C1)CO P124723 [1,0,0,1,0,0|2,0,0]=4 593 B8R1.2 C1CCOC(C1)CBr B169755 [1,0,0,1,0,0|1,1,0]=4 594 B8R1.2 C1CCOC(C1)CO T161846 [1,0,0,1,0,0|1,1,0]=4 595 B8R1.2 C1CNCCC1CN A136022 [1,0,0,1,0,0|2,0,0]=4 596 B8R1.2 C1CNCCC1CO P113833 [1,0,0,1,0,0|2,0,0]=4 597 B8R1.2 C1COCCC1CBr B172996 [1,0,0,1,0,0|2,0,0]=4 598 B8R1.2 C1COCCC1CN A151618 [1,0,0,1,0,0|2,0,0]=4 599 B8R1.2 C1COCCC1CN A184237 [1,0,0,1,0,0|2,0,0]=4 600 B8R1.2 C1COCCC1CO T161848 [1,0,0,1,0,0|2,0,0]=4 601 B8R1.2 C=CC1CCCCC1 V162939 [1,0,0,1,0,0|0,0,2]=4 602 B8R1.2 CCC1CCCCC1 E108913 [1,0,0,1,0,0|0,0,0]=2 603 B8R1.2 CCC1CCCCC1 E108914 [1,0,0,1,0,0|0,0,0]=2 604 B8R1.2 CCC1CCCCN1 E156420 [1,0,0,1,0,0|1,0,0]=3 605 B8R1.2 CCC1CCCCN1 S467334 [1,0,0,1,0,0|1,0,0]=3 606 B8R1.2 CCC1CCNCC1 E169556 [1,0,0,1,0,0|1,0,0]=3 607 B8R1.2 CCC1COCCN1 R186382 [1,0,0,1,0,0|1,1,0]=4 608 B8R1.2 CCN1CCCCC1 E110307 [1,0,0,1,0,0|1,0,0]=3 609 B8R1.2 CCN1CCNCC1 E103219 [1,0,0,1,0,0|2,0,0]=4 610 B8R1.2 CCN1CCOCC1 E104658 [1,0,0,1,0,0|2,0,0]=4 611 B8R1.2 CCN1CCOCC1 E104659 [1,0,0,1,0,0|2,0,0]=4 612 B8R1.2 CNC1CCCCC1 M124516 [1,0,0,1,0,0|1,0,0]=3 613 B8R1.2 CNC1CCCNC1 M124375 [1,0,0,1,0,0|2,0,0]=4 614 B8R1.2 COC1CCCCC1 M158042 [1,0,0,1,0,0|1,0,0]=3 615 B8R1.2 COC1CCCCO1 W196195 [1,0,0,1,0,0|1,1,0]=4 616 B8R1.2 COC1CCNCC1 M176409 [1,0,0,1,0,0|2,0,0]=4 617 B8R1.2 COC1CCNCC1 M176410 [1,0,0,1,0,0|2,0,0]=4 618 B8R1.2 [C-]#[N+]C1CCCCC1 C153258 [1,0,0,1,0,0|1,0,1]=4 619 B8R1.5 C1CCC(C(C1)Cl)Cl T161921 [1,0,0,1,0,0|2,0,0]=4 620 B8R1.5 C1CCC(C(C1)F)Br B152772 [1,0,0,1,0,0|2,0,0]=4 621 B8R1.5 C1CCC(C(C1)N)N C106462 [1,0,0,1,0,0|2,0,0]=4 622 B8R1.5 C1CCC(C(C1)N)N C106970 [1,0,0,1,0,0|2,0,0]=4 623 B8R1.5 C1CCC(C(C1)N)N C153337 [1,0,0,1,0,0|2,0,0]=4 624 B8R1.5 C1CCC(C(C1)N)N D102251 [1,0,0,1,0,0|2,0,0]=4 625 B8R1.5 C1CCC(C(C1)N)N D102252 [1,0,0,1,0,0|2,0,0]=4 626 B8R1.5 C1CCC(C(C1)N)N D299616 [1,0,0,1,0,0|2,0,0]=4 627 B8R1.5 C1CCC(C(C1)N)N D579480 [1,0,0,1,0,0|2,0,0]=4 628 B8R1.5 C1CCC(C(C1)N)N P299653 [1,0,0,1,0,0|2,0,0]=4 629 B8R1.5 C1CCC(C(C1)N)O A135671 [1,0,0,1,0,0|2,0,0]=4 630 B8R1.5 C1CCC(C(C1)N)O C135782 [1,0,0,1,0,0|2,0,0]=4 631 B8R1.5 C1CCC(C(C1)N)O I167007 [1,0,0,1,0,0|2,0,0]=4 632 B8R1.5 C1CCC(C(C1)N)O R195900 [1,0,0,1,0,0|2,0,0]=4 633 B8R1.5 C1CCC(C(C1)N)O S138163 [1,0,0,1,0,0|2,0,0]=4 634 B8R1.5 C1CCC(C(C1)N)O S304528 [1,0,0,1,0,0|2,0,0]=4 635 B8R1.5 C1CCC(C(C1)N)O S587981 [1,0,0,1,0,0|2,0,0]=4 636 B8R1.5 C1CCC(C(C1)N)O T474337 [1,0,0,1,0,0|2,0,0]=4 637 B8R1.5 C1CCC(C(C1)O)Cl C133236 [1,0,0,1,0,0|2,0,0]=4 638 B8R1.5 C1CCC(C(C1)O)F F156603 [1,0,0,1,0,0|2,0,0]=4 639 B8R1.5 C1CCC(C(C1)O)O C101651 [1,0,0,1,0,0|2,0,0]=4 640 B8R1.5 C1CCC(C(C1)O)O C101652 [1,0,0,1,0,0|2,0,0]=4 641 B8R1.5 C1CCC(C(C1)O)O C153336 [1,0,0,1,0,0|2,0,0]=4 642 B8R1.5 C1CCC(C(C1)O)O C153338 [1,0,0,1,0,0|2,0,0]=4 643 B8R1.5 C1CCC(C(C1)O)O I171071 [1,0,0,1,0,0|2,0,0]=4 644 B8R1.5 C1CC[C@H]([C@@H](C1)[NH-])[NH-] O124003 [1,0,0,1,0,0|2,0,0]=4 645 B8R1.5 C1CC[C@H]([C@@H](C1)[NH-])[NH-] O425120 [1,0,0,1,0,0|2,0,0]=4 646 B8R1.5 CC1CCCCC1=O M100791 [1,0,0,1,0,0|1,0,1]=4 647 B8R1.5 CC1CCCCC1C D155823 [1,0,0,1,0,0|0,0,0]=2 648 B8R1.5 CC1CCCCC1N M102224 [1,0,0,1,0,0|1,0,0]=3 649 B8R1.5 CC1CCCCC1O C153331 [1,0,0,1,0,0|1,0,0]=3 650 B8R1.5 CC1CCCCC1O M157932 [1,0,0,1,0,0|1,0,0]=3 651 B8R1.5 CC1CNCCN1C R176969 [1,0,0,1,0,0|2,0,0]=4 652 B8R1.8 C1CCC(C1)CCO C154115 [1,0,0,1,0,0|1,0,0]=3 653 B8R1.8 C1CCN(C1)CCCl C139223 [1,0,0,1,0,0|2,0,0]=4 654 B8R1.8 C1CCN(C1)CCN A121650 [1,0,0,1,0,0|2,0,0]=4 655 B8R1.8 C1CCN(C1)CCN P405662 [1,0,0,1,0,0|2,0,0]=4 656 B8R1.8 C1CCN(C1)CCO H140439 [1,0,0,1,0,0|2,0,0]=4 657 B8R1.8 C=CCC1CCCC1 A332839 [1,0,0,1,0,0|0,0,2]=4 658 B8R1.8 CCNC1CCNC1 R160848 [1,0,0,1,0,0|2,0,0]=4 659 B8R1.8 COCC1CCCN1 M121135 [1,0,0,1,0,0|2,0,0]=4 660 B8R1.8 COCC1CCCN1 M121139 [1,0,0,1,0,0|2,0,0]=4 661 B8R1.11 CN1CCCC1CO M303525 [1,0,0,1,0,0|2,0,0]=4 662 B8R1.11 CN1CCCC1CO S303491 [1,0,0,1,0,0|2,0,0]=4 663 B8R1.22 C1CCCC(=O)CC1 C111127 [1,0,0,1,0,0|1,0,1]=4 664 B8R1.22 C1CCCC(CC1)Br B152451 [1,0,0,1,0,0|1,0,0]=3 665 B8R1.22 C1CCCC(CC1)Cl C153659 [1,0,0,1,0,0|1,0,0]=3 666 B8R1.22 C1CCCC(CC1)N C153902 [1,0,0,1,0,0|1,0,0]=3 667 B8R1.22 C1CCCC(CC1)O C105241 [1,0,0,1,0,0|1,0,0]=3 668 B8R1.22 CN1CCCNCC1 M138837 [1,0,0,1,0,0|2,0,0]=4 669 B8R1.36 CCCCCC1CO1 E156381 [1,0,0,1,0,0|1,0,0]=3 670 B8R1.36 CCCNCC1CC1 N300667 [1,0,0,1,0,0|1,0,0]=3 671 B8R1.49 C1CCCC=CCC1 C100852 [1,0,0,1,0,0|0,0,2]=4 672 B8R1.49 C1CCCC=CCC1 C118535 [1,0,0,1,0,0|0,0,2]=4 673 B8R1.49 C1CCCC=CCC1 C129192 [1,0,0,1,0,0|0,0,2]=4 674 B8R1.49 C1CCCC=CCC1 C189232 [1,0,0,1,0,0|0,0,2]=4 675 B8R1.49 C1CCCC=CCC1 C294026 [1,0,0,1,0,0|0,0,2]=4 676 B8R1.49 C1CCCCCCC1 C153590 [1,0,0,1,0,0|0,0,0]=2 677 B8R1.49 C1CCCNCCC1 H157012 [1,0,0,1,0,0|1,0,0]=3 678 B10R1.10 CCCC1CCCC(=O)O1 O117516 [0,1,0,1,0,0|0,1,1]=4 679 B10R1.10 CCCC1CCOC(S1)C M103004 [0,1,0,1,0,0|1,0,0]=3 680 B10R1.18 CC(=O)CC1CCCCC1 C478562 [0,1,0,1,0,0|1,0,1]=4 681 B10R1.18 CC(C)CC1CCCCC1 I157550 [0,1,0,1,0,0|1,0,0]=3 682 B10R1.18 CC(C)NC1CCCCC1 N159075 [0,1,0,1,0,0|2,0,0]=4 683 B10R1.78 C1CCCC(=O)NCCC1 O159932 [0,1,0,1,0,0|1,0,1]=4 684 B10R1.21 C1CCN(C1)CCCC#N C135094 [0,1,0,1,0,0|1,0,1]=4 685 B10R1.21 C1CCN(C1)CCCCN P124719 [0,1,0,1,0,0|1,0,0]=3 686 B10R1.21 CCNCCN1CCCC1 N167146 [0,1,0,1,0,0|1,0,0]=3 687 B10R1.29 CCCCN1CCCC1=O B124554 [0,1,0,1,0,0|1,0,1]=4 688 B10R1.85 C1CCCC(CC1)CCN C170395 [0,1,0,1,0,0|1,0,0]=3 689 B10R1.85 C1CCCN(CC1)CCCl C138586 [0,1,0,1,0,0|2,0,0]=4 690 B10R1.85 C1CCCN(CC1)CCO H168438 [0,1,0,1,0,0|2,0,0]=4 691 B10R1.377 CCC[N+]1(CCCCC1)C M158636 [0,1,0,1,0,0|2,0,0]=4 692 B10R1.377 CCC[N+]1(CCCCC1)C M404684 [0,1,0,1,0,0|2,0,0]=4 693 B10R1.4 CCCC1CCCCC1=O P160132 [0,1,0,1,0,0|1,0,0]=3 694 B10R1.17 C1CCC(CC1)CCC=O C479079 [0,1,0,1,0,0|1,0,1]=4 695 B10R1.17 C1CCC(CC1)CCCN C170358 [0,1,0,1,0,0|1,0,0]=3 696 B10R1.17 C1CCC(CC1)CCCO C153386 [0,1,0,1,0,0|1,0,0]=3 697 B10R1.17 C1CCC(CC1)NCCO N140389 [0,1,0,1,0,0|2,0,0]=4 698 B10R1.17 C1CCN(CC1)CCCCl C153868 [0,1,0,1,0,0|2,0,0]=4 699 B10R1.17 C1CCN(CC1)CCCN I169845 [0,1,0,1,0,0|2,0,0]=4 700 B10R1.17 C1CCN(CC1)CCCO P132596 [0,1,0,1,0,0|2,0,0]=4 701 B10R1.17 C1CCOC(C1)OCCBr B107747 [0,1,0,1,0,0|1,1,0]=4 702 B10R1.17 C1CCOC(C1)OCCBr B124703 [0,1,0,1,0,0|1,1,0]=4 703 B10R1.17 C1CCOC(C1)OCCCl C140279 [0,1,0,1,0,0|1,1,0]=4 704 B10R1.17 C1CN(CCN1)CCCN P192904 [0,1,0,1,0,0|2,0,0]=4 705 B10R1.17 C1COCCN1CCCCl C124693 [0,1,0,1,0,0|2,0,0]=4 706 B10R1.17 C1COCCN1CCCCl C176842 [0,1,0,1,0,0|2,0,0]=4 707 B10R1.17 C1COCCN1CCCCl C494550 [0,1,0,1,0,0|2,0,0]=4 708 B10R1.17 C1COCCN1CCCN A105340 [0,1,0,1,0,0|2,0,0]=4 709 B10R1.17 C1COCCN1CCCO H138846 [0,1,0,1,0,0|2,0,0]=4 710 B10R1.17 CCCCC1CCCCC1 B152699 [0,1,0,1,0,0|1,0,0]=3 711 B10R1.17 CCCCN1CCNCC1 B151904 [0,1,0,1,0,0|1,0,0]=3 712 B10R1.17 CCCCN1CCOCC1 B153181 [0,1,0,1,0,0|1,0,0]=3 713 B10R1.17 COCCN1CCNCC1 M119143 [0,1,0,1,0,0|2,0,0]=4 714 B10R1.216 CCCC[N+]1(CCCC1)C B120503 [0,1,0,1,0,0|1,0,0]=3 715 B10R1.216 CCCC[N+]1(CCCC1)C B121231 [0,1,0,1,0,0|1,0,0]=3 716 B10R1.216 CCCC[N+]1(CCCC1)C B169617 [0,1,0,1,0,0|1,0,0]=3 717 B10R1.216 CCCC[N+]1(CCCC1)C B169944 [0,1,0,1,0,0|1,0,0]=3 718 B10R1.216 CCCC[N+]1(CCCC1)C B302146 [0,1,0,1,0,0|1,0,0]=3 719 B10R1.216 CCCC[N+]1(CCCC1)C B303497 [0,1,0,1,0,0|1,0,0]=3 720 B10R1.216 CCCC[N+]1(CCCC1)C B342737 [0,1,0,1,0,0|1,0,0]=3 721 B10R1.216 C[N+]1(CCCC1)CCOC M158583 [0,1,0,1,0,0|2,0,0]=4 722 B10R1.7 C1CCCC(C(CC1)O)O C346997 [0,1,0,1,0,0|2,0,0]=4 723 B10R1.20 C1CCC(C(C1)CO)CO I133239 [0,1,0,1,0,0|2,0,0]=4 724 B10R1.20 C1CCC(C(C1)CO)CO R160969 [0,1,0,1,0,0|2,0,0]=4 725 B10R1.20 C1CCC(C(C1)CO)CO S588709 [0,1,0,1,0,0|2,0,0]=4 726 B10R1.20 C1CCC(C(C1)CO)CO T162621 [0,1,0,1,0,0|2,0,0]=4 727 B10R1.20 CNC1CCCCC1NC N185586 [0,1,0,1,0,0|2,0,0]=4 728 B10R1.20 CNC1CCCCC1NC R115661 [0,1,0,1,0,0|2,0,0]=4 729 B10R1.20 CNC1CCCCC1NC S115660 [0,1,0,1,0,0|2,0,0]=4 730 B10R1.20 CNC1CCCCC1NC T115659 [0,1,0,1,0,0|2,0,0]=4 731 B10R1.1 C1CC(CCC1CCN)O A151059 [0,1,0,1,0,0|2,0,0]=4 732 B10R1.1 C1CC(CCC1CCO)N A151060 [0,1,0,1,0,0|2,0,0]=4 733 B10R1.1 CCCC1CCC(=O)CC1 P115524 [0,1,0,1,0,0|1,0,1]=4 734 B10R1.1 CCCC1CCC(CC1)O P160707 [0,1,0,1,0,0|1,0,0]=3 735 B10R1.1 CCCN1CCC(CC1)N A482563 [0,1,0,1,0,0|2,0,0]=4 736 B10R1.15 C1CCC(CC1)C(CO)N S590298 [0,1,0,1,0,0|2,0,0]=4 737 B10R1.15 CCC(C1CCCCC1)N S489475 [0,1,0,1,0,0|1,0,0]=3 738 B10R1.27 C1CCN(C1)CC(CN)O A341793 [0,1,0,1,0,0|2,0,0]=4 739 B10R2.7 C1CC2CNCC2NC1 D124226 [0,0,0,2,0,0|2,0,0]=4 740 B10R2.7 C1CC2CNCCN2C1 A177001 [0,0,0,2,0,0|2,0,0]=4 741 B10R2.7 C1CCC2CNCC2C1 C153994 [0,0,0,2,0,0|1,0,0]=3 742 B10R2.7 C1CCC2CNCC2C1 C181874 [0,0,0,2,0,0|1,0,0]=3 743 B10R2.7 C1CCC2CNCC2C1 O192077 [0,0,0,2,0,0|1,0,0]=3 744 B10R2.408 [B]1C2CCCC1CCC2 B130058 [0,0,0,2,0,0|1,0,0]=3 745 B10R2.484 C1CC2(C1)CCCNC2 A172495 [0,0,0,2,0,0|2,0,0]=4 746 B10R2.484 C1CC2(C1)CCNCC2 A174040 [0,0,0,2,0,0|2,0,0]=4 747 B10R2.99 C1CC2CC1CC2CO N135171 [0,0,0,2,0,0|2,0,0]=4 748 B10R2.483 C1CCC2(C1)CCNC2 A174469 [0,0,0,2,0,0|2,0,0]=4 749 B10R2.483 C1CC[N+]2(C1)CCCC2 A405621 [0,0,0,2,0,0|1,0,0]=3 750 B10R2.483 C1CC[N+]2(C1)CCCC2 A405629 [0,0,0,2,0,0|1,0,0]=3 751 B10R2.483 C1CC[N+]2(C1)CCCC2 A405635 [0,0,0,2,0,0|1,0,0]=3 752 B10R2.18 C1CCCC2C(O2)CC1 E156395 [0,0,0,2,0,0|0,1,0]=3