0 B7R0.1 C#CCCCCC#C O110225 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.1 C#CCCCCC#N H157373 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.1 C#CCCCCCO H135241 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.1 C(CCC#N)CC#N A463039 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 C(CCC#N)CC#N N104487 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.1 C(CCC#N)CCN A303171 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.1 C(CCC=O)CC=O A302164 [0,0,0,0,0,0|1,0,3]=4 7 B7R0.1 C(CCCBr)CCBr D106541 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.1 C(CCCBr)CCCl B111196 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.1 C(CCCBr)CCF B405383 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.1 C(CCCBr)CCO B138834 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.1 C(CCCBr)CCO S304692 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.1 C(CCCCl)CCCl D110131 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.1 C(CCCCl)CCO C109454 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.1 C(CCCI)CCCl C153665 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.1 C(CCCI)CCI D119377 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.1 C(CCCN)CCN D134228 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.1 C(CCCN)CCN H103908 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.1 C(CCCN)CCN H103909 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.1 C(CCCN)CCN H103910 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.1 C(CCCO)CCN A101232 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.1 C(CCCO)CCO H103707 [0,0,0,0,0,0|1,0,0]=1 22 B7R0.1 C(CCCO)CCO H103708 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.1 C(CCCS)CCN A487010 [0,0,0,0,0,0|1,1,0]=2 24 B7R0.1 C(CCCS)CCO M123042 [0,0,0,0,0,0|1,0,0]=1 25 B7R0.1 C(CCCS)CCO M299208 [0,0,0,0,0,0|1,0,0]=1 26 B7R0.1 C(CCCS)CCS H106695 [0,0,0,0,0,0|1,1,0]=2 27 B7R0.1 C(CCC[NH3+])CC[NH3+] H292837 [0,0,0,0,0,0|2,0,0]=2 28 B7R0.1 C(CCC[NH3+])CC[NH3+] H292848 [0,0,0,0,0,0|2,0,0]=2 29 B7R0.1 C(CCC[NH3+])CC[NH3+] H492699 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.1 C(CN)CNCCO N184580 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.1 C(CN)CNCCS A134805 [0,0,0,0,0,0|2,1,0]=3 32 B7R0.1 C(CNCCN)CO N159094 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.1 C(CO)C=CCCO H341806 [0,0,0,0,0,0|1,0,2]=3 34 B7R0.1 C(CSSCCN)N C153647 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.1 C(CSSCCN)N C424758 [0,0,0,0,0,0|4,0,0]=4 36 B7R0.1 C(CSSCCN)N C597659 [0,0,0,0,0,0|4,0,0]=4 37 B7R0.1 C(CSSCCN)N D589340 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.1 C(CSSCCO)O B152479 [0,0,0,0,0,0|3,0,0]=3 39 B7R0.1 C(CSSCCO)O B298701 [0,0,0,0,0,0|3,0,0]=3 40 B7R0.1 C(CSSCCO)O B598951 [0,0,0,0,0,0|3,0,0]=3 41 B7R0.1 C(C[Se][Se]CCN)N D303521 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.1 C=CCCCCC=C O159998 [0,0,0,0,0,0|1,0,3]=4 43 B7R0.1 C=CCCCCCBr B134159 [0,0,0,0,0,0|1,0,2]=3 44 B7R0.1 C=CCCCCCO H156869 [0,0,0,0,0,0|0,0,2]=2 45 B7R0.1 C=COCCCCO T161688 [0,0,0,0,0,0|1,0,2]=3 46 B7R0.1 C=COCCCCO T299067 [0,0,0,0,0,0|1,0,2]=3 47 B7R0.1 CCC=CCCC=O C154040 [0,0,0,0,0,0|0,0,4]=4 48 B7R0.1 CCC=CCCCO C153484 [0,0,0,0,0,0|0,0,2]=2 49 B7R0.1 CCCC#CCCC O106927 [0,0,0,0,0,0|1,0,2]=3 50 B7R0.1 CCCC#CCCO H157374 [0,0,0,0,0,0|0,0,2]=2 51 B7R0.1 CCCC=CCCC C153585 [0,0,0,0,0,0|1,0,2]=3 52 B7R0.1 CCCC=CCCC T161815 [0,0,0,0,0,0|1,0,2]=3 53 B7R0.1 CCCC=CCCO C332847 [0,0,0,0,0,0|0,0,2]=2 54 B7R0.1 CCCCC=CC=O T161484 [0,0,0,0,0,0|0,0,4]=4 55 B7R0.1 CCCCC=CCC C153584 [0,0,0,0,0,0|1,0,2]=3 56 B7R0.1 CCCCC=CCC T161817 [0,0,0,0,0,0|1,0,2]=3 57 B7R0.1 CCCCC=CCO T161435 [0,0,0,0,0,0|0,0,2]=2 58 B7R0.1 CCCCCC=CC C153583 [0,0,0,0,0,0|1,0,2]=3 59 B7R0.1 CCCCCC=CC O159996 [0,0,0,0,0,0|1,0,2]=3 60 B7R0.1 CCCCCC=CC T161814 [0,0,0,0,0,0|1,0,2]=3 61 B7R0.1 CCCCCCC#C O109633 [0,0,0,0,0,0|1,0,1]=2 62 B7R0.1 CCCCCCC#N H156965 [0,0,0,0,0,0|1,0,1]=2 63 B7R0.1 CCCCCCC=C O108659 [0,0,0,0,0,0|1,0,1]=2 64 B7R0.1 CCCCCCC=C O108660 [0,0,0,0,0,0|1,0,1]=2 65 B7R0.1 CCCCCCC=O H105934 [0,0,0,0,0,0|0,0,2]=2 66 B7R0.1 CCCCCCC=O H105935 [0,0,0,0,0,0|0,0,2]=2 67 B7R0.1 CCCCCCCBr B109258 [0,0,0,0,0,0|1,0,0]=1 68 B7R0.1 CCCCCCCC O100577 [0,0,0,0,0,0|1,0,0]=1 69 B7R0.1 CCCCCCCC O100578 [0,0,0,0,0,0|1,0,0]=1 70 B7R0.1 CCCCCCCC O100580 [0,0,0,0,0,0|1,0,0]=1 71 B7R0.1 CCCCCCCC O100581 [0,0,0,0,0,0|1,0,0]=1 72 B7R0.1 CCCCCCCC O119714 [0,0,0,0,0,0|1,0,0]=1 73 B7R0.1 CCCCCCCCl C153657 [0,0,0,0,0,0|1,0,0]=1 74 B7R0.1 CCCCCCCI I157581 [0,0,0,0,0,0|1,0,0]=1 75 B7R0.1 CCCCCCCN H113175 [0,0,0,0,0,0|1,0,0]=1 76 B7R0.1 CCCCCCCO H108210 [0,0,0,0,0,0|0,0,0]=0 77 B7R0.1 CCCCCCCO H108211 [0,0,0,0,0,0|0,0,0]=0 78 B7R0.1 CCCCCCCO H108212 [0,0,0,0,0,0|0,0,0]=0 79 B7R0.1 CCCCCCCS H102322 [0,0,0,0,0,0|0,1,0]=1 80 B7R0.1 CCCCCCNC N341547 [0,0,0,0,0,0|2,0,0]=2 81 B7R0.1 CCCCCCOC H157292 [0,0,0,0,0,0|2,0,0]=2 82 B7R0.1 CCCCCN=C=O P352487 [0,0,0,0,0,0|1,0,2]=3 83 B7R0.1 CCCCCOC=O A151451 [0,0,0,0,0,0|1,0,2]=3 84 B7R0.1 CCCCCON=O A151126 [0,0,0,0,0,0|2,0,1]=3 85 B7R0.1 CCCCNCCN N159361 [0,0,0,0,0,0|2,0,0]=2 86 B7R0.1 CCCCNCCO B140397 [0,0,0,0,0,0|1,0,0]=1 87 B7R0.1 CCCCNCCO B299088 [0,0,0,0,0,0|1,0,0]=1 88 B7R0.1 CCCCNCCS B469395 [0,0,0,0,0,0|1,1,0]=2 89 B7R0.1 CCCCOCC=C A151096 [0,0,0,0,0,0|2,0,1]=3 90 B7R0.1 CCCCOCCCl B152831 [0,0,0,0,0,0|2,0,0]=2 91 B7R0.1 CCCCOCCN B357161 [0,0,0,0,0,0|2,0,0]=2 92 B7R0.1 CCCCOCCO E110823 [0,0,0,0,0,0|1,0,0]=1 93 B7R0.1 CCCCOCCO E110827 [0,0,0,0,0,0|1,0,0]=1 94 B7R0.1 CCCNCCCN I168897 [0,0,0,0,0,0|2,0,0]=2 95 B7R0.1 CCCNCCOC N158962 [0,0,0,0,0,0|3,0,0]=3 96 B7R0.1 CCCSSCC=C A103096 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.1 CCCSSCCC D102910 [0,0,0,0,0,0|3,0,0]=3 98 B7R0.1 CCNCCNCC N159359 [0,0,0,0,0,0|3,0,0]=3 99 B7R0.1 CCOCCOCC E103986 [0,0,0,0,0,0|3,0,0]=3 100 B7R0.1 CCOCCOCC E103987 [0,0,0,0,0,0|3,0,0]=3 101 B7R0.1 CCOCCOCC E103989 [0,0,0,0,0,0|3,0,0]=3 102 B7R0.1 COCCCN=C=S M300049 [0,0,0,0,0,0|2,1,1]=4 103 B7R0.1 COCCOCCBr B152835 [0,0,0,0,0,0|3,0,0]=3 104 B7R0.1 COCCOCCI I586239 [0,0,0,0,0,0|3,0,0]=3 105 B7R0.1 COCCOCCN M122033 [0,0,0,0,0,0|3,0,0]=3 106 B7R0.1 COCCOCCO D104406 [0,0,0,0,0,0|2,0,0]=2 107 B7R0.1 COCCOCCO D104407 [0,0,0,0,0,0|2,0,0]=2 108 B7R0.1 COCCOCCO D104408 [0,0,0,0,0,0|2,0,0]=2 109 B7R0.1 CSCCCN=C=S M133859 [0,0,0,0,0,0|2,1,1]=4 110 B6R0.6 C#CCCCCCl C154119 [1,0,0,0,0,0|1,0,2]=4 111 B6R0.6 C#CCCCCI I168988 [1,0,0,0,0,0|1,0,2]=4 112 B6R0.6 C#CCCCCN H586162 [1,0,0,0,0,0|1,0,2]=4 113 B6R0.6 C#CCCCCO H107735 [1,0,0,0,0,0|0,0,2]=3 114 B6R0.6 C#CCOCCO P189135 [1,0,0,0,0,0|1,0,2]=4 115 B6R0.6 C(CBr)NCCBr B184524 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.6 C(CBr)OCCBr B122644 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.6 C(CCBr)CC#N B124218 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.6 C(CCBr)CCBr D106538 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.6 C(CCCl)CC#N C153827 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.6 C(CCCl)CCBr B109691 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.6 C(CCCl)CCCl D105687 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.6 C(CCF)CCBr B303673 [1,0,0,0,0,0|2,0,0]=3 123 B6R0.6 C(CCI)CCI D155300 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.6 C(CCN)CCN D111805 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.6 C(CCN)CCN D121817 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.6 C(CCN)CCN D283638 [1,0,0,0,0,0|2,0,0]=3 127 B6R0.6 C(CCN)CCN D421724 [1,0,0,0,0,0|2,0,0]=3 128 B6R0.6 C(CCN)CCO A107210 [1,0,0,0,0,0|1,0,0]=2 129 B6R0.6 C(CCN)CCO A565375 [1,0,0,0,0,0|1,0,0]=2 130 B6R0.6 C(CCO)CCBr B135090 [1,0,0,0,0,0|1,0,0]=2 131 B6R0.6 C(CCO)CCCl C153897 [1,0,0,0,0,0|1,0,0]=2 132 B6R0.6 C(CCO)CCO P105588 [1,0,0,0,0,0|1,0,0]=2 133 B6R0.6 C(CCS)CCS P102332 [1,0,0,0,0,0|1,1,0]=3 134 B6R0.6 C(CCl)NCCCl B109734 [1,0,0,0,0,0|3,0,0]=4 135 B6R0.6 C(CCl)OCCCl C107457 [1,0,0,0,0,0|3,0,0]=4 136 B6R0.6 C(CN=[N+]=[N-])CO A464136 [1,0,0,0,0,0|3,0,0]=4 137 B6R0.6 C(CNCCN)N D100056 [1,0,0,0,0,0|3,0,0]=4 138 B6R0.6 C(CNCCN)N D100058 [1,0,0,0,0,0|3,0,0]=4 139 B6R0.6 C(CNCCN)N D100059 [1,0,0,0,0,0|3,0,0]=4 140 B6R0.6 C(CNCCN)N D301794 [1,0,0,0,0,0|3,0,0]=4 141 B6R0.6 C(CNCCO)N H100512 [1,0,0,0,0,0|2,0,0]=3 142 B6R0.6 C(CNCCO)N H100513 [1,0,0,0,0,0|2,0,0]=3 143 B6R0.6 C(CO)NCCCl C588449 [1,0,0,0,0,0|2,0,0]=3 144 B6R0.6 C(CO)NCCO D112357 [1,0,0,0,0,0|2,0,0]=3 145 B6R0.6 C(CO)NCCO D112358 [1,0,0,0,0,0|2,0,0]=3 146 B6R0.6 C(CO)NCCO D112360 [1,0,0,0,0,0|2,0,0]=3 147 B6R0.6 C(CO)NCCO D112361 [1,0,0,0,0,0|2,0,0]=3 148 B6R0.6 C(CO)NCCO D155708 [1,0,0,0,0,0|2,0,0]=3 149 B6R0.6 C(CO)NCCO D301793 [1,0,0,0,0,0|2,0,0]=3 150 B6R0.6 C(COCCBr)O B339979 [1,0,0,0,0,0|2,0,0]=3 151 B6R0.6 C(COCCCl)O C118686 [1,0,0,0,0,0|2,0,0]=3 152 B6R0.6 C(COCCI)O I586943 [1,0,0,0,0,0|2,0,0]=3 153 B6R0.6 C(COCCN)N O159975 [1,0,0,0,0,0|3,0,0]=4 154 B6R0.6 C(COCCN)N O160013 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.6 C(COCCO)N A109910 [1,0,0,0,0,0|2,0,0]=3 156 B6R0.6 C(COCCO)N A301832 [1,0,0,0,0,0|2,0,0]=3 157 B6R0.6 C(COCCO)O D110831 [1,0,0,0,0,0|2,0,0]=3 158 B6R0.6 C(COCCO)O D110832 [1,0,0,0,0,0|2,0,0]=3 159 B6R0.6 C(COCCO)O D110833 [1,0,0,0,0,0|2,0,0]=3 160 B6R0.6 C(COCCO)O D110834 [1,0,0,0,0,0|2,0,0]=3 161 B6R0.6 C(COCCO)O D476199 [1,0,0,0,0,0|2,0,0]=3 162 B6R0.6 C(CS)OCCS B152747 [1,0,0,0,0,0|2,1,0]=4 163 B6R0.6 C(CSCCS)S B152744 [1,0,0,0,0,0|2,1,0]=4 164 B6R0.6 C=CCCCCBr B122541 [1,0,0,0,0,0|1,0,2]=4 165 B6R0.6 C=CCCCCCl C115790 [1,0,0,0,0,0|1,0,2]=4 166 B6R0.6 C=CCCCCO H113637 [1,0,0,0,0,0|0,0,2]=3 167 B6R0.6 C=CCOCCO A303300 [1,0,0,0,0,0|1,0,2]=4 168 B6R0.6 C=CCOCCO A303301 [1,0,0,0,0,0|1,0,2]=4 169 B6R0.6 C=CCOCCO E156080 [1,0,0,0,0,0|1,0,2]=4 170 B6R0.6 CC=CCCCO H300983 [1,0,0,0,0,0|0,0,2]=3 171 B6R0.6 CCC#CCCO H157360 [1,0,0,0,0,0|0,0,2]=3 172 B6R0.6 CCC=CCCO C426965 [1,0,0,0,0,0|0,0,2]=3 173 B6R0.6 CCC=CCCO H112690 [1,0,0,0,0,0|0,0,2]=3 174 B6R0.6 CCC=CCCO L106205 [1,0,0,0,0,0|0,0,2]=3 175 B6R0.6 CCCC#CCO H157375 [1,0,0,0,0,0|0,0,2]=3 176 B6R0.6 CCCC=CCO C153482 [1,0,0,0,0,0|0,0,2]=3 177 B6R0.6 CCCC=CCO H102077 [1,0,0,0,0,0|0,0,2]=3 178 B6R0.6 CCCCCC#C H100842 [1,0,0,0,0,0|0,0,2]=3 179 B6R0.6 CCCCCC#N H157040 [1,0,0,0,0,0|1,0,1]=3 180 B6R0.6 CCCCCC=C H110653 [1,0,0,0,0,0|0,0,2]=3 181 B6R0.6 CCCCCC=C H110654 [1,0,0,0,0,0|0,0,2]=3 182 B6R0.6 CCCCCC=C H110655 [1,0,0,0,0,0|0,0,2]=3 183 B6R0.6 CCCCCC=O C109199 [1,0,0,0,0,0|0,0,2]=3 184 B6R0.6 CCCCCC=O C109200 [1,0,0,0,0,0|0,0,2]=3 185 B6R0.6 CCCCCCBr B105244 [1,0,0,0,0,0|1,0,0]=2 186 B6R0.6 CCCCCCBr B471923 [1,0,0,0,0,0|1,0,0]=2 187 B6R0.6 CCCCCCC H108102 [1,0,0,0,0,0|0,0,0]=1 188 B6R0.6 CCCCCCC H108103 [1,0,0,0,0,0|0,0,0]=1 189 B6R0.6 CCCCCCC H108105 [1,0,0,0,0,0|0,0,0]=1 190 B6R0.6 CCCCCCC H108108 [1,0,0,0,0,0|0,0,0]=1 191 B6R0.6 CCCCCCC H108111 [1,0,0,0,0,0|0,0,0]=1 192 B6R0.6 CCCCCCC H108112 [1,0,0,0,0,0|0,0,0]=1 193 B6R0.6 CCCCCCC H118382 [1,0,0,0,0,0|0,0,0]=1 194 B6R0.6 CCCCCCC H119701 [1,0,0,0,0,0|0,0,0]=1 195 B6R0.6 CCCCCCCl C109280 [1,0,0,0,0,0|1,0,0]=2 196 B6R0.6 CCCCCCCl C109281 [1,0,0,0,0,0|1,0,0]=2 197 B6R0.6 CCCCCCI I157578 [1,0,0,0,0,0|1,0,0]=2 198 B6R0.6 CCCCCCN H105333 [1,0,0,0,0,0|1,0,0]=2 199 B6R0.6 CCCCCCN H157035 [1,0,0,0,0,0|1,0,0]=2 200 B6R0.6 CCCCCCN H292813 [1,0,0,0,0,0|1,0,0]=2 201 B6R0.6 CCCCCCN H491868 [1,0,0,0,0,0|1,0,0]=2 202 B6R0.6 CCCCCCO H103420 [1,0,0,0,0,0|0,0,0]=1 203 B6R0.6 CCCCCCO H103421 [1,0,0,0,0,0|0,0,0]=1 204 B6R0.6 CCCCCCO H103422 [1,0,0,0,0,0|0,0,0]=1 205 B6R0.6 CCCCCCO H103423 [1,0,0,0,0,0|0,0,0]=1 206 B6R0.6 CCCCCCO H119678 [1,0,0,0,0,0|0,0,0]=1 207 B6R0.6 CCCCCCS H100786 [1,0,0,0,0,0|0,1,0]=2 208 B6R0.6 CCCCCCS H299109 [1,0,0,0,0,0|0,1,0]=2 209 B6R0.6 CCCCCC[NH3+] H292817 [1,0,0,0,0,0|1,0,0]=2 210 B6R0.6 CCCCCC[NH3+] H492547 [1,0,0,0,0,0|1,0,0]=2 211 B6R0.6 CCCCCC[Si] H357381 [1,0,0,0,0,0|0,1,0]=2 212 B6R0.6 CCCCCNC M124210 [1,0,0,0,0,0|1,0,0]=2 213 B6R0.6 CCCCCSC A151354 [1,0,0,0,0,0|1,0,0]=2 214 B6R0.6 CCCCN=C=S B111865 [1,0,0,0,0,0|1,1,1]=4 215 B6R0.6 CCCCNCC N158928 [1,0,0,0,0,0|1,0,0]=2 216 B6R0.6 CCCCOC=C B123186 [1,0,0,0,0,0|1,0,2]=4 217 B6R0.6 CCCCOC=C B123187 [1,0,0,0,0,0|1,0,2]=4 218 B6R0.6 CCCCOC=O B109260 [1,0,0,0,0,0|1,0,2]=4 219 B6R0.6 CCCCOC=O B109261 [1,0,0,0,0,0|1,0,2]=4 220 B6R0.6 CCCCON=O B134686 [1,0,0,0,0,0|2,0,1]=4 221 B6R0.6 CCCCSCC B152507 [1,0,0,0,0,0|1,0,0]=2 222 B6R0.6 CCCNCCC D100329 [1,0,0,0,0,0|1,0,0]=2 223 B6R0.6 CCCNCCC D100330 [1,0,0,0,0,0|1,0,0]=2 224 B6R0.6 CCCNCCC D154684 [1,0,0,0,0,0|1,0,0]=2 225 B6R0.6 CCCNCCC D404364 [1,0,0,0,0,0|1,0,0]=2 226 B6R0.6 CCCNCCN N336391 [1,0,0,0,0,0|2,0,0]=3 227 B6R0.6 CCCOCCC P160596 [1,0,0,0,0,0|1,0,0]=2 228 B6R0.6 CCCOCCCl C137234 [1,0,0,0,0,0|2,0,0]=3 229 B6R0.6 CCCOCCN P160362 [1,0,0,0,0,0|2,0,0]=3 230 B6R0.6 CCCOCCO P107659 [1,0,0,0,0,0|1,0,0]=2 231 B6R0.6 CCCOCCO P299319 [1,0,0,0,0,0|1,0,0]=2 232 B6R0.6 CCCSCC=C A135608 [1,0,0,0,0,0|1,0,2]=4 233 B6R0.6 CCCSCCC D102909 [1,0,0,0,0,0|1,0,0]=2 234 B6R0.6 CCNCCCO E300231 [1,0,0,0,0,0|1,0,0]=2 235 B6R0.6 CCOCCC#N E132079 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.6 CCOCCCN E156297 [1,0,0,0,0,0|2,0,0]=3 237 B6R0.6 CCOCCCO E108059 [1,0,0,0,0,0|1,0,0]=2 238 B6R0.6 CCOCCOC E331012 [1,0,0,0,0,0|2,0,0]=3 239 B6R0.6 CCOCOCC D109106 [1,0,0,0,0,0|2,0,0]=3 240 B6R0.6 CCOCOCC D139939 [1,0,0,0,0,0|2,0,0]=3 241 B6R0.6 CCO[Sn]OCC T282972 [1,0,0,0,0,0|3,0,0]=4 242 B6R0.6 CCSCCCO E300079 [1,0,0,0,0,0|1,0,0]=2 243 B6R0.6 CCSSSCC D405733 [1,0,0,0,0,0|3,0,0]=4 244 B6R0.6 CNCCCCO M193351 [1,0,0,0,0,0|1,0,0]=2 245 B6R0.6 CNCCCNC D124206 [1,0,0,0,0,0|2,0,0]=3 246 B6R0.6 COCCCCBr B152834 [1,0,0,0,0,0|2,0,0]=3 247 B6R0.6 COCCCCO B152046 [1,0,0,0,0,0|1,0,0]=2 248 B6R0.6 COCCOCCl M113466 [1,0,0,0,0,0|3,0,0]=4 249 B6R0.6 COCOCCBr B165961 [1,0,0,0,0,0|3,0,0]=4 250 B6R0.6 CSCCCCO M468928 [1,0,0,0,0,0|1,0,0]=2 251 B8R0.1 CCCC(=O)OCCC P100043 [0,1,0,0,0,0|2,0,1]=4 252 B8R0.1 CCCC(=O)OCCC P100044 [0,1,0,0,0,0|2,0,1]=4 253 B8R0.1 CCCC(C)COC=O M158009 [0,1,0,0,0,0|1,0,2]=4 254 B8R0.1 CCCCC(=O)CCC O160045 [0,1,0,0,0,0|1,0,1]=3 255 B8R0.1 CCCCC(=O)OCC E105293 [0,1,0,0,0,0|2,0,1]=4 256 B8R0.1 CCCCC(=O)OCC E105294 [0,1,0,0,0,0|2,0,1]=4 257 B8R0.1 CCCCC(=O)OCC E118465 [0,1,0,0,0,0|2,0,1]=4 258 B8R0.1 CCCCC(CCC)O O159906 [0,1,0,0,0,0|1,0,0]=2 259 B8R0.1 CCOC(=O)CCCBr E106908 [0,1,0,0,0,0|2,0,1]=4 260 B8R0.1 CCOC(=O)CCCBr E639064 [0,1,0,0,0,0|2,0,1]=4 261 B8R0.1 CCOC(=O)CCCCl E135072 [0,1,0,0,0,0|2,0,1]=4 262 B8R0.1 CCOC(=O)CCCCl E493598 [0,1,0,0,0,0|2,0,1]=4 263 B8R0.1 CCOC(=O)CCCN E122453 [0,1,0,0,0,0|2,0,1]=4 264 B8R0.1 CCOC(=O)CCC[CH2-] E465916 [0,1,0,0,0,0|2,0,1]=4 265 B8R0.4 C#CCCCCCC#C N159651 [0,1,0,0,0,0|1,0,2]=4 266 B8R0.4 C#CCCCCCCBr B590235 [0,1,0,0,0,0|1,0,1]=3 267 B8R0.4 C#CCCCCCCN O587273 [0,1,0,0,0,0|1,0,1]=3 268 B8R0.4 C#CCCCCCCO O136501 [0,1,0,0,0,0|0,0,1]=2 269 B8R0.4 C(CCC#N)CCC#N D121816 [0,1,0,0,0,0|1,0,2]=4 270 B8R0.4 C(CCCBr)CCC#N B354089 [0,1,0,0,0,0|1,0,1]=3 271 B8R0.4 C(CCCBr)CCCBr D106496 [0,1,0,0,0,0|1,0,0]=2 272 B8R0.4 C(CCCN)CCCN D111099 [0,1,0,0,0,0|1,0,0]=2 273 B8R0.4 C(CCCN)CCCO A493194 [0,1,0,0,0,0|0,0,0]=1 274 B8R0.4 C(CCCO)CCCBr B132089 [0,1,0,0,0,0|0,0,0]=1 275 B8R0.4 C(CCCO)CCCO H136447 [0,1,0,0,0,0|0,0,0]=1 276 B8R0.4 C(CN)CNCCCN D155042 [0,1,0,0,0,0|2,0,0]=3 277 B8R0.4 C(CNCCCO)CO H302815 [0,1,0,0,0,0|1,0,0]=2 278 B8R0.4 C(CO)COCCCO O588346 [0,1,0,0,0,0|1,0,0]=2 279 B8R0.4 C(CO)CSCCCO T472193 [0,1,0,0,0,0|1,0,0]=2 280 B8R0.4 C(COCCCCl)CCl B194288 [0,1,0,0,0,0|2,0,0]=3 281 B8R0.4 C(COCCO)N=[N+]=[N-] A339876 [0,1,0,0,0,0|3,0,0]=4 282 B8R0.4 C=CCCCC=CCO O159909 [0,1,0,0,0,0|0,0,3]=4 283 B8R0.4 C=CCCCCCCBr B134900 [0,1,0,0,0,0|1,0,1]=3 284 B8R0.4 C=CCCCCCCO O159908 [0,1,0,0,0,0|0,0,1]=2 285 B8R0.4 C=COCCOCCO D155145 [0,1,0,0,0,0|1,0,2]=4 286 B8R0.4 CCC=CCCCCO C153379 [0,1,0,0,0,0|0,0,1]=2 287 B8R0.4 CCCCC#CCCO O159921 [0,1,0,0,0,0|0,0,1]=2 288 B8R0.4 CCCCC=CCCO C153378 [0,1,0,0,0,0|0,0,1]=2 289 B8R0.4 CCCCCC#CCC N159650 [0,1,0,0,0,0|1,0,1]=3 290 B8R0.4 CCCCCC#CCCl C154112 [0,1,0,0,0,0|1,0,1]=3 291 B8R0.4 CCCCCC=CC=O O105936 [0,1,0,0,0,0|0,0,3]=4 292 B8R0.4 CCCCCC=CC=O O303154 [0,1,0,0,0,0|0,0,3]=4 293 B8R0.4 CCCCCC=CCO T161811 [0,1,0,0,0,0|0,0,1]=2 294 B8R0.4 CCCCCCCC#C N100831 [0,1,0,0,0,0|1,0,0]=2 295 B8R0.4 CCCCCCCC=C N109555 [0,1,0,0,0,0|1,0,0]=2 296 B8R0.4 CCCCCCCC=C N110481 [0,1,0,0,0,0|1,0,0]=2 297 B8R0.4 CCCCCCCC=O O106930 [0,1,0,0,0,0|0,0,1]=2 298 B8R0.4 CCCCCCCC=O O106931 [0,1,0,0,0,0|0,0,1]=2 299 B8R0.4 CCCCCCCC=O O345608 [0,1,0,0,0,0|0,0,1]=2 300 B8R0.4 CCCCCCCCBr B105260 [0,1,0,0,0,0|1,0,0]=2 301 B8R0.4 CCCCCCCCC N103391 [0,1,0,0,0,0|1,0,0]=2 302 B8R0.4 CCCCCCCCC N103392 [0,1,0,0,0,0|1,0,0]=2 303 B8R0.4 CCCCCCCCC N103393 [0,1,0,0,0,0|1,0,0]=2 304 B8R0.4 CCCCCCCCC N119711 [0,1,0,0,0,0|1,0,0]=2 305 B8R0.4 CCCCCCCCCl C111401 [0,1,0,0,0,0|1,0,0]=2 306 B8R0.4 CCCCCCCCCl C111402 [0,1,0,0,0,0|1,0,0]=2 307 B8R0.4 CCCCCCCCF F170468 [0,1,0,0,0,0|1,0,0]=2 308 B8R0.4 CCCCCCCCI I157580 [0,1,0,0,0,0|1,0,0]=2 309 B8R0.4 CCCCCCCCN N159007 [0,1,0,0,0,0|1,0,0]=2 310 B8R0.4 CCCCCCCCN N159690 [0,1,0,0,0,0|1,0,0]=2 311 B8R0.4 CCCCCCCCN O110545 [0,1,0,0,0,0|1,0,0]=2 312 B8R0.4 CCCCCCCCN O110546 [0,1,0,0,0,0|1,0,0]=2 313 B8R0.4 CCCCCCCCN O491873 [0,1,0,0,0,0|1,0,0]=2 314 B8R0.4 CCCCCCCCN O492190 [0,1,0,0,0,0|1,0,0]=2 315 B8R0.4 CCCCCCCCO O103324 [0,1,0,0,0,0|0,0,0]=1 316 B8R0.4 CCCCCCCCO O103325 [0,1,0,0,0,0|0,0,0]=1 317 B8R0.4 CCCCCCCCO O103326 [0,1,0,0,0,0|0,0,0]=1 318 B8R0.4 CCCCCCCCO O119018 [0,1,0,0,0,0|0,0,0]=1 319 B8R0.4 CCCCCCCCO O119679 [0,1,0,0,0,0|0,0,0]=1 320 B8R0.4 CCCCCCCCO O491594 [0,1,0,0,0,0|0,0,0]=1 321 B8R0.4 CCCCCCCCS O105587 [0,1,0,0,0,0|0,1,0]=2 322 B8R0.4 CCCCCCCC[CH2-] N332405 [0,1,0,0,0,0|1,0,0]=2 323 B8R0.4 CCCCCCCC[NH3+] N290338 [0,1,0,0,0,0|1,0,0]=2 324 B8R0.4 CCCCCCCSC H157103 [0,1,0,0,0,0|0,1,0]=2 325 B8R0.4 CCCCCCN=C=O H157416 [0,1,0,0,0,0|0,0,2]=3 326 B8R0.4 CCCCCCN=C=S H140517 [0,1,0,0,0,0|0,1,1]=3 327 B8R0.4 CCCCCCOC=O H113684 [0,1,0,0,0,0|0,0,2]=3 328 B8R0.4 CCCCCCON=O H157340 [0,1,0,0,0,0|1,0,1]=3 329 B8R0.4 CCCCNCCCC D111219 [0,1,0,0,0,0|1,0,0]=2 330 B8R0.4 CCCCNCCCC D189175 [0,1,0,0,0,0|1,0,0]=2 331 B8R0.4 CCCCNCCCC D345139 [0,1,0,0,0,0|1,0,0]=2 332 B8R0.4 CCCCNCCCC D404365 [0,1,0,0,0,0|1,0,0]=2 333 B8R0.4 CCCCNCCCC D404367 [0,1,0,0,0,0|1,0,0]=2 334 B8R0.4 CCCCNCCCC D431482 [0,1,0,0,0,0|1,0,0]=2 335 B8R0.4 CCCCNCCCC D494160 [0,1,0,0,0,0|1,0,0]=2 336 B8R0.4 CCCCOCCC#N B152448 [0,1,0,0,0,0|1,0,1]=3 337 B8R0.4 CCCCOCCCC B110451 [0,1,0,0,0,0|1,0,0]=2 338 B8R0.4 CCCCOCCCC B110452 [0,1,0,0,0,0|1,0,0]=2 339 B8R0.4 CCCCOCCCC B110453 [0,1,0,0,0,0|1,0,0]=2 340 B8R0.4 CCCCOCCCC B119693 [0,1,0,0,0,0|1,0,0]=2 341 B8R0.4 CCCCOCCCC B194104 [0,1,0,0,0,0|1,0,0]=2 342 B8R0.4 CCCCOCCCN B152034 [0,1,0,0,0,0|1,0,0]=2 343 B8R0.4 CCCCSCCCC B136661 [0,1,0,0,0,0|1,0,0]=2 344 B8R0.4 CCNCCCNCC D124208 [0,1,0,0,0,0|2,0,0]=3 345 B8R0.4 CCOCCOCCO D104410 [0,1,0,0,0,0|1,0,0]=2 346 B8R0.4 CCOCCOCCO D104411 [0,1,0,0,0,0|1,0,0]=2 347 B8R0.4 CCOCCOCCO D104412 [0,1,0,0,0,0|1,0,0]=2 348 B8R0.4 COCCCCCOC D155548 [0,1,0,0,0,0|1,0,0]=2 349 B8R0.4 COCCNCCOC B152060 [0,1,0,0,0,0|2,0,0]=3 350 B8R0.4 COCCOCCCBr M158050 [0,1,0,0,0,0|2,0,0]=3 351 B8R0.4 COCCOCCOC M104413 [0,1,0,0,0,0|2,0,0]=3 352 B8R0.4 COCCOCCOC M104414 [0,1,0,0,0,0|2,0,0]=3 353 B8R0.4 COCCOCCOC M104417 [0,1,0,0,0,0|2,0,0]=3 354 B8R0.4 COCCOCCOC M104418 [0,1,0,0,0,0|2,0,0]=3 355 B8R0.4 COCCOCCOC M104420 [0,1,0,0,0,0|2,0,0]=3 356 B8R0.4 COCCOCCOC M104422 [0,1,0,0,0,0|2,0,0]=3 357 B8R0.4 COCCOCCOC M615388 [0,1,0,0,0,0|2,0,0]=3 358 B8R0.6 C(CCO)CC(CO)O H105564 [0,1,0,0,0,0|1,0,0]=2 359 B8R0.6 C=CCOCC(CO)O A151103 [0,1,0,0,0,0|1,0,2]=4 360 B8R0.6 CCCCCC(=O)C=C O160047 [0,1,0,0,0,0|1,0,2]=4 361 B8R0.6 CCCCCC(=O)CC O106928 [0,1,0,0,0,0|1,0,1]=3 362 B8R0.6 CCCCCC(=O)CC O106929 [0,1,0,0,0,0|1,0,1]=3 363 B8R0.6 CCCCCC(=O)OC M112312 [0,1,0,0,0,0|2,0,1]=4 364 B8R0.6 CCCCCC(=O)OC M112313 [0,1,0,0,0,0|2,0,1]=4 365 B8R0.6 CCCCCC(=O)OC M112314 [0,1,0,0,0,0|2,0,1]=4 366 B8R0.6 CCCCCC(C#C)O O113758 [0,1,0,0,0,0|1,0,1]=3 367 B8R0.6 CCCCCC(C)CC M158522 [0,1,0,0,0,0|1,0,0]=2 368 B8R0.6 CCCCCC(C=C)O O102968 [0,1,0,0,0,0|1,0,1]=3 369 B8R0.6 CCCCCC(C=C)O S463982 [0,1,0,0,0,0|1,0,1]=3 370 B8R0.6 CCCCCC(CC)O O159907 [0,1,0,0,0,0|1,0,0]=2 371 B8R0.6 CCCCCN(C)N=O N347915 [0,1,0,0,0,0|2,0,1]=4 372 B8R0.6 CCCCNC(=O)CCl N193799 [0,1,0,0,0,0|2,0,1]=4 373 B8R0.6 CCCCOC(=O)CC B152863 [0,1,0,0,0,0|2,0,1]=4 374 B8R0.6 CCCCOC(=O)CCl B152888 [0,1,0,0,0,0|2,0,1]=4 375 B8R0.6 CCCCOC(=O)CO B134012 [0,1,0,0,0,0|1,0,1]=3 376 B8R0.6 CCCCOC(=O)CO B493056 [0,1,0,0,0,0|1,0,1]=3 377 B8R0.6 CCCCOC(=O)CS B152740 [0,1,0,0,0,0|1,1,1]=4 378 B8R0.6 CCCOCC(CO)O O353306 [0,1,0,0,0,0|1,0,0]=2 379 B8R0.6 COC(=O)CCCCBr M157983 [0,1,0,0,0,0|2,0,1]=4 380 B8R0.6 COC(=O)CCCCCl M167259 [0,1,0,0,0,0|2,0,1]=4 381 B8R0.7 B(CCCCCC)(O)O H299977 [0,1,0,0,0,0|1,0,0]=2 382 B8R0.7 C#CCCCCC(=O)O H107741 [0,1,0,0,0,0|0,0,3]=4 383 B8R0.7 C(CCC(=O)Cl)CCBr B152054 [0,1,0,0,0,0|1,0,2]=4 384 B8R0.7 C(CCC(=O)Cl)CCCl C468097 [0,1,0,0,0,0|1,0,2]=4 385 B8R0.7 C(CCC(=O)N)CCBr B185341 [0,1,0,0,0,0|1,0,2]=4 386 B8R0.7 C(CCC(=O)O)CCBr B104555 [0,1,0,0,0,0|1,0,1]=3 387 B8R0.7 C(CCC(=O)O)CCCl C121729 [0,1,0,0,0,0|1,0,1]=3 388 B8R0.7 C(CCC(=O)O)CCN A306000 [0,1,0,0,0,0|1,0,1]=3 389 B8R0.7 C(CCC(=O)O)CCN A433060 [0,1,0,0,0,0|1,0,1]=3 390 B8R0.7 C(CCC(=O)O)CCO H302536 [0,1,0,0,0,0|1,0,1]=3 391 B8R0.7 C(CCC(=O)O)CCS M292991 [0,1,0,0,0,0|1,0,1]=3 392 B8R0.7 C(CCC(=O)O)CCS M345400 [0,1,0,0,0,0|1,0,1]=3 393 B8R0.7 C(CCC(=O)[O-])CCO P192074 [0,1,0,0,0,0|1,0,1]=3 394 B8R0.7 C(CN)CNCC(=O)O N159195 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.7 C(COCCN)C(=O)O A412738 [0,1,0,0,0,0|2,0,1]=4 396 B8R0.7 CC(=O)NCCCCN I168071 [0,1,0,0,0,0|2,0,1]=4 397 B8R0.7 CC(=O)NCCCCN N159176 [0,1,0,0,0,0|2,0,1]=4 398 B8R0.7 CC(=O)OCCCCBr B136623 [0,1,0,0,0,0|2,0,1]=4 399 B8R0.7 CC(=O)OCCCCCl C133987 [0,1,0,0,0,0|2,0,1]=4 400 B8R0.7 CC(=O)OCCCCI I476998 [0,1,0,0,0,0|2,0,1]=4 401 B8R0.7 CC(C)NCCCCO I157483 [0,1,0,0,0,0|1,0,0]=2 402 B8R0.7 CC(C)OCCC[N+]#[C-] I300374 [0,1,0,0,0,0|3,0,0]=4 403 B8R0.7 CCCC=CCC(=O)O H303362 [0,1,0,0,0,0|0,0,3]=4 404 B8R0.7 CCCCC#CC(=O)O H157081 [0,1,0,0,0,0|0,0,3]=4 405 B8R0.7 CCCCC=CC(=O)O H305279 [0,1,0,0,0,0|0,0,3]=4 406 B8R0.7 CCCCCCC(=O)C O111186 [0,1,0,0,0,0|0,0,2]=3 407 B8R0.7 CCCCCCC(=O)C O111187 [0,1,0,0,0,0|0,0,2]=3 408 B8R0.7 CCCCCCC(=O)Cl H102418 [0,1,0,0,0,0|0,0,2]=3 409 B8R0.7 CCCCCCC(=O)O H103518 [0,1,0,0,0,0|0,0,1]=2 410 B8R0.7 CCCCCCC(=O)O H103519 [0,1,0,0,0,0|0,0,1]=2 411 B8R0.7 CCCCCCC(=O)O H103520 [0,1,0,0,0,0|0,0,1]=2 412 B8R0.7 CCCCCCC(=O)O H431469 [0,1,0,0,0,0|0,0,1]=2 413 B8R0.7 CCCCCCC(=O)[O-] S161315 [0,1,0,0,0,0|0,0,2]=3 414 B8R0.7 CCCCCCC(C)Br B152446 [0,1,0,0,0,0|1,0,0]=2 415 B8R0.7 CCCCCCC(C)C M158524 [0,1,0,0,0,0|1,0,0]=2 416 B8R0.7 CCCCCCC(C)N A151716 [0,1,0,0,0,0|1,0,0]=2 417 B8R0.7 CCCCCCC(C)N I169738 [0,1,0,0,0,0|1,0,0]=2 418 B8R0.7 CCCCCCC(C)O O111525 [0,1,0,0,0,0|0,0,0]=1 419 B8R0.7 CCCCCCC(C)O O111526 [0,1,0,0,0,0|0,0,0]=1 420 B8R0.7 CCCCCCC(C)O O111527 [0,1,0,0,0,0|0,0,0]=1 421 B8R0.7 CCCCCCC(C)O O111528 [0,1,0,0,0,0|0,0,0]=1 422 B8R0.7 CCCCCCC(C)O R160889 [0,1,0,0,0,0|0,0,0]=1 423 B8R0.7 CCCCCCC(C)O S161171 [0,1,0,0,0,0|0,0,0]=1 424 B8R0.7 CCCCCCN(C)C N303722 [0,1,0,0,0,0|2,0,0]=3 425 B8R0.7 CCCCCOC(=O)C A103450 [0,1,0,0,0,0|1,0,2]=4 426 B8R0.7 CCCCCOC(=O)C A103451 [0,1,0,0,0,0|1,0,2]=4 427 B8R0.7 CCCCCOC(=O)C A103452 [0,1,0,0,0,0|1,0,2]=4 428 B8R0.7 CCCCCOC(=O)Cl A139129 [0,1,0,0,0,0|1,0,2]=4 429 B8R0.7 CCCCCOC(=S)[S-] P160308 [0,1,0,0,0,0|1,1,1]=4 430 B8R0.7 CCCCCO[N+](=O)[O-] A165297 [0,1,0,0,0,0|2,0,1]=4 431 B8R0.7 CCCCOCC(=O)O B152317 [0,1,0,0,0,0|1,0,1]=3 432 B8R0.7 CCCCOCC(C)O B151801 [0,1,0,0,0,0|1,0,0]=2 433 B8R0.7 CN(C)CCOCCO D124510 [0,1,0,0,0,0|2,0,0]=3 434 B8R0.7 COCCOCC(=O)O M138320 [0,1,0,0,0,0|2,0,1]=4 435 B8R1.2 C#CC1CCCCC1 C334521 [0,0,0,1,0,0|1,0,1]=3 436 B8R1.2 C1CC(CC=C1)CO C131788 [0,0,0,1,0,0|0,0,2]=3 437 B8R1.2 C1CC(CNC1)CN A151610 [0,0,0,1,0,0|2,0,0]=3 438 B8R1.2 C1CC(CNC1)CO P160105 [0,0,0,1,0,0|1,0,0]=2 439 B8R1.2 C1CC(CNC1)CO S586410 [0,0,0,1,0,0|1,0,0]=2 440 B8R1.2 C1CC(CNC1)CO S587257 [0,0,0,1,0,0|1,0,0]=2 441 B8R1.2 C1CC(COC1)CO O174328 [0,0,0,1,0,0|1,0,0]=2 442 B8R1.2 C1CC(OC=C1)CO D117672 [0,0,0,1,0,0|1,0,2]=4 443 B8R1.2 C1CCC(=NO)CC1 C109682 [0,0,0,1,0,0|1,0,1]=3 444 B8R1.2 C1CCC(CC1)C#N C194969 [0,0,0,1,0,0|1,0,1]=3 445 B8R1.2 C1CCC(CC1)C=O C109681 [0,0,0,1,0,0|0,0,2]=3 446 B8R1.2 C1CCC(CC1)CBr B121199 [0,0,0,1,0,0|1,0,0]=2 447 B8R1.2 C1CCC(CC1)CN C138894 [0,0,0,1,0,0|1,0,0]=2 448 B8R1.2 C1CCC(CC1)CN C303051 [0,0,0,1,0,0|1,0,0]=2 449 B8R1.2 C1CCC(CC1)CN C493236 [0,0,0,1,0,0|1,0,0]=2 450 B8R1.2 C1CCC(CC1)CO C106975 [0,0,0,1,0,0|0,0,0]=1 451 B8R1.2 C1CCC(CC1)NN C135804 [0,0,0,1,0,0|2,0,0]=3 452 B8R1.2 C1CCC(CC1)NO I169027 [0,0,0,1,0,0|1,0,0]=2 453 B8R1.2 C1CCN(CC1)C#N P160519 [0,0,0,1,0,0|2,0,1]=4 454 B8R1.2 C1CCN(CC1)C=O F106773 [0,0,0,1,0,0|1,0,2]=4 455 B8R1.2 C1CCNC(C1)CN P132846 [0,0,0,1,0,0|2,0,0]=3 456 B8R1.2 C1CCNC(C1)CO P124723 [0,0,0,1,0,0|1,0,0]=2 457 B8R1.2 C1CCOC(C1)CBr B169755 [0,0,0,1,0,0|1,0,0]=2 458 B8R1.2 C1CCOC(C1)CO T161846 [0,0,0,1,0,0|1,0,0]=2 459 B8R1.2 C1CCOC(C1)ON T102439 [0,0,0,1,0,0|2,0,0]=3 460 B8R1.2 C1CNCCC1C#N P175866 [0,0,0,1,0,0|2,0,1]=4 461 B8R1.2 C1CNCCC1CN A136022 [0,0,0,1,0,0|2,0,0]=3 462 B8R1.2 C1CNCCC1CO P113833 [0,0,0,1,0,0|1,0,0]=2 463 B8R1.2 C1COC(CN1)CN A481712 [0,0,0,1,0,0|2,0,0]=3 464 B8R1.2 C1COC(CN1)CO M586197 [0,0,0,1,0,0|2,0,0]=3 465 B8R1.2 C1COC(CO1)CN D586521 [0,0,0,1,0,0|2,0,0]=3 466 B8R1.2 C1COC(CO1)CN R174405 [0,0,0,1,0,0|2,0,0]=3 467 B8R1.2 C1COC(CO1)CN S174408 [0,0,0,1,0,0|2,0,0]=3 468 B8R1.2 C1COC(CO1)CO S193283 [0,0,0,1,0,0|2,0,0]=3 469 B8R1.2 C1COCC(N1)CO H179128 [0,0,0,1,0,0|2,0,0]=3 470 B8R1.2 C1COCC(N1)CO M178522 [0,0,0,1,0,0|2,0,0]=3 471 B8R1.2 C1COCCC1C#N O176474 [0,0,0,1,0,0|2,0,1]=4 472 B8R1.2 C1COCCC1C=O F184847 [0,0,0,1,0,0|1,0,2]=4 473 B8R1.2 C1COCCC1CBr B172996 [0,0,0,1,0,0|2,0,0]=3 474 B8R1.2 C1COCCC1CN A151618 [0,0,0,1,0,0|2,0,0]=3 475 B8R1.2 C1COCCC1CN A184237 [0,0,0,1,0,0|2,0,0]=3 476 B8R1.2 C1COCCC1CO T161848 [0,0,0,1,0,0|1,0,0]=2 477 B8R1.2 C1CSCCC1C#N T175435 [0,0,0,1,0,0|2,0,1]=4 478 B8R1.2 C=CC1CCCCC1 V162939 [0,0,0,1,0,0|1,0,1]=3 479 B8R1.2 CCC1CCCCC1 E108913 [0,0,0,1,0,0|1,0,0]=2 480 B8R1.2 CCC1CCCCC1 E108914 [0,0,0,1,0,0|1,0,0]=2 481 B8R1.2 CCC1CCCCN1 E156420 [0,0,0,1,0,0|1,0,0]=2 482 B8R1.2 CCC1CCCCN1 S467334 [0,0,0,1,0,0|1,0,0]=2 483 B8R1.2 CCC1CCNCC1 E169556 [0,0,0,1,0,0|2,0,0]=3 484 B8R1.2 CCC1COCCN1 R186382 [0,0,0,1,0,0|2,0,0]=3 485 B8R1.2 CCN1CCCCC1 E110307 [0,0,0,1,0,0|2,0,0]=3 486 B8R1.2 CCN1CCNCC1 E103219 [0,0,0,1,0,0|3,0,0]=4 487 B8R1.2 CCN1CCOCC1 E104658 [0,0,0,1,0,0|3,0,0]=4 488 B8R1.2 CCN1CCOCC1 E104659 [0,0,0,1,0,0|3,0,0]=4 489 B8R1.2 CNC1CCCCC1 M124516 [0,0,0,1,0,0|2,0,0]=3 490 B8R1.2 CNC1CCCNC1 M124375 [0,0,0,1,0,0|3,0,0]=4 491 B8R1.2 COC1CCC=CO1 D189144 [0,0,0,1,0,0|1,0,2]=4 492 B8R1.2 COC1CCCCC1 M158042 [0,0,0,1,0,0|2,0,0]=3 493 B8R1.2 COC1CCCCO1 W196195 [0,0,0,1,0,0|1,0,0]=2 494 B8R1.2 COC1CCNCC1 M176409 [0,0,0,1,0,0|3,0,0]=4 495 B8R1.2 COC1CCNCC1 M176410 [0,0,0,1,0,0|3,0,0]=4 496 B8R1.2 [C-]#[N+]C1CCCCC1 C153258 [0,0,0,1,0,0|2,0,0]=3 497 B8R1.5 C1C(C(CSS1)O)O T330725 [0,0,0,1,0,0|3,0,0]=4 498 B8R1.5 C1CC(C(=O)NC1)O H191839 [0,0,0,1,0,0|2,0,1]=4 499 B8R1.5 C1CCC(=O)C(C1)Br B131549 [0,0,0,1,0,0|1,0,2]=4 500 B8R1.5 C1CCC(=O)C(C1)Cl C103549 [0,0,0,1,0,0|1,0,2]=4 501 B8R1.5 C1CCC(=O)C(C1)O H133366 [0,0,0,1,0,0|1,0,1]=3 502 B8R1.5 C1CCC(C(C1)Cl)Cl T161921 [0,0,0,1,0,0|2,0,0]=3 503 B8R1.5 C1CCC(C(C1)F)Br B152772 [0,0,0,1,0,0|2,0,0]=3 504 B8R1.5 C1CCC(C(C1)N)N C106462 [0,0,0,1,0,0|2,0,0]=3 505 B8R1.5 C1CCC(C(C1)N)N C106970 [0,0,0,1,0,0|2,0,0]=3 506 B8R1.5 C1CCC(C(C1)N)N C153337 [0,0,0,1,0,0|2,0,0]=3 507 B8R1.5 C1CCC(C(C1)N)N D102251 [0,0,0,1,0,0|2,0,0]=3 508 B8R1.5 C1CCC(C(C1)N)N D102252 [0,0,0,1,0,0|2,0,0]=3 509 B8R1.5 C1CCC(C(C1)N)N D299616 [0,0,0,1,0,0|2,0,0]=3 510 B8R1.5 C1CCC(C(C1)N)N D579480 [0,0,0,1,0,0|2,0,0]=3 511 B8R1.5 C1CCC(C(C1)N)N P299653 [0,0,0,1,0,0|2,0,0]=3 512 B8R1.5 C1CCC(C(C1)N)O A135671 [0,0,0,1,0,0|1,0,0]=2 513 B8R1.5 C1CCC(C(C1)N)O C135782 [0,0,0,1,0,0|1,0,0]=2 514 B8R1.5 C1CCC(C(C1)N)O I167007 [0,0,0,1,0,0|1,0,0]=2 515 B8R1.5 C1CCC(C(C1)N)O R195900 [0,0,0,1,0,0|1,0,0]=2 516 B8R1.5 C1CCC(C(C1)N)O S138163 [0,0,0,1,0,0|1,0,0]=2 517 B8R1.5 C1CCC(C(C1)N)O S304528 [0,0,0,1,0,0|1,0,0]=2 518 B8R1.5 C1CCC(C(C1)N)O S587981 [0,0,0,1,0,0|1,0,0]=2 519 B8R1.5 C1CCC(C(C1)N)O T474337 [0,0,0,1,0,0|1,0,0]=2 520 B8R1.5 C1CCC(C(C1)O)Cl C133236 [0,0,0,1,0,0|1,0,0]=2 521 B8R1.5 C1CCC(C(C1)O)F F156603 [0,0,0,1,0,0|1,0,0]=2 522 B8R1.5 C1CCC(C(C1)O)O C101651 [0,0,0,1,0,0|1,0,0]=2 523 B8R1.5 C1CCC(C(C1)O)O C101652 [0,0,0,1,0,0|1,0,0]=2 524 B8R1.5 C1CCC(C(C1)O)O C153336 [0,0,0,1,0,0|1,0,0]=2 525 B8R1.5 C1CCC(C(C1)O)O C153338 [0,0,0,1,0,0|1,0,0]=2 526 B8R1.5 C1CCC(C(C1)O)O I171071 [0,0,0,1,0,0|1,0,0]=2 527 B8R1.5 C1CC[C@H]([C@@H](C1)[NH-])[NH-] O124003 [0,0,0,1,0,0|2,0,0]=3 528 B8R1.5 C1CC[C@H]([C@@H](C1)[NH-])[NH-] O425120 [0,0,0,1,0,0|2,0,0]=3 529 B8R1.5 C1COC(C(O1)O)O D154497 [0,0,0,1,0,0|3,0,0]=4 530 B8R1.5 C1COCC(C1N)O S587531 [0,0,0,1,0,0|2,0,0]=3 531 B8R1.5 CC1CCCCC1=O M100791 [0,0,0,1,0,0|0,0,2]=3 532 B8R1.5 CC1CCCCC1C D155823 [0,0,0,1,0,0|1,0,0]=2 533 B8R1.5 CC1CCCCC1N M102224 [0,0,0,1,0,0|1,0,0]=2 534 B8R1.5 CC1CCCCC1O C153331 [0,0,0,1,0,0|0,0,0]=1 535 B8R1.5 CC1CCCCC1O M157932 [0,0,0,1,0,0|0,0,0]=1 536 B8R1.5 CC1CNCCC1=O M589544 [0,0,0,1,0,0|1,0,2]=4 537 B8R1.5 CC1CNCCN1C R176969 [0,0,0,1,0,0|3,0,0]=4 538 B8R1.5 CN1CCCCC1=O N335945 [0,0,0,1,0,0|1,0,2]=4 539 B8R1.8 C1CC(OC1)CC#N T161719 [0,0,0,1,0,0|1,0,1]=3 540 B8R1.8 C1CCC(C1)CCO C154115 [0,0,0,1,0,0|0,0,0]=1 541 B8R1.8 C1CCC(C1)N=C=O C153263 [0,0,0,1,0,0|1,0,2]=4 542 B8R1.8 C1CCC(C1)N=C=S C140552 [0,0,0,1,0,0|1,1,1]=4 543 B8R1.8 C1CCN(C1)CC#N P192565 [0,0,0,1,0,0|2,0,1]=4 544 B8R1.8 C1CCN(C1)CCCl C139223 [0,0,0,1,0,0|2,0,0]=3 545 B8R1.8 C1CCN(C1)CCN A121650 [0,0,0,1,0,0|2,0,0]=3 546 B8R1.8 C1CCN(C1)CCN P405662 [0,0,0,1,0,0|2,0,0]=3 547 B8R1.8 C1CCN(C1)CCO H140439 [0,0,0,1,0,0|1,0,0]=2 548 B8R1.8 C1COC(O1)CCBr B153144 [0,0,0,1,0,0|2,0,0]=3 549 B8R1.8 C1COC(O1)CCN A151047 [0,0,0,1,0,0|2,0,0]=3 550 B8R1.8 C=CCC1CCCC1 A332839 [0,0,0,1,0,0|1,0,1]=3 551 B8R1.8 CCCC1=NCCN1 P302987 [0,0,0,1,0,0|2,0,1]=4 552 B8R1.8 CCCC1=NCCO1 P160311 [0,0,0,1,0,0|1,0,1]=3 553 B8R1.8 CCNC1CCNC1 R160848 [0,0,0,1,0,0|3,0,0]=4 554 B8R1.8 CNCC1OCCO1 M349963 [0,0,0,1,0,0|2,0,0]=3 555 B8R1.8 COCC1CCCN1 M121135 [0,0,0,1,0,0|2,0,0]=3 556 B8R1.8 COCC1CCCN1 M121139 [0,0,0,1,0,0|2,0,0]=3 557 B8R1.11 CCN1CCCC1=O E101635 [0,0,0,1,0,0|1,0,2]=4 558 B8R1.11 CN1CCCC1CO M303525 [0,0,0,1,0,0|1,0,0]=2 559 B8R1.11 CN1CCCC1CO S303491 [0,0,0,1,0,0|1,0,0]=2 560 B8R1.22 C1CC(=O)CCNC1 H121983 [0,0,0,1,0,0|1,0,2]=4 561 B8R1.22 C1CCC(=O)NCC1 C111698 [0,0,0,1,0,0|1,0,2]=4 562 B8R1.22 C1CCC(=O)NCC1 C111700 [0,0,0,1,0,0|1,0,2]=4 563 B8R1.22 C1CCC(=O)OCC1 C109521 [0,0,0,1,0,0|1,0,1]=3 564 B8R1.22 C1CCC(=O)OCC1 C398060 [0,0,0,1,0,0|1,0,1]=3 565 B8R1.22 C1CCC(=O)OCC1 P299385 [0,0,0,1,0,0|1,0,1]=3 566 B8R1.22 C1CCC(=O)OCC1 P398622 [0,0,0,1,0,0|1,0,1]=3 567 B8R1.22 C1CCC(=O)OCC1 P478241 [0,0,0,1,0,0|1,0,1]=3 568 B8R1.22 C1CCC(=O)OCC1 P485972 [0,0,0,1,0,0|1,0,1]=3 569 B8R1.22 C1CCC(=O)OCC1 P579406 [0,0,0,1,0,0|1,0,1]=3 570 B8R1.22 C1CCC(=S)NCC1 T140461 [0,0,0,1,0,0|1,1,1]=4 571 B8R1.22 C1CCCC(=O)CC1 C111127 [0,0,0,1,0,0|0,0,2]=3 572 B8R1.22 C1CCCC(CC1)Br B152451 [0,0,0,1,0,0|1,0,0]=2 573 B8R1.22 C1CCCC(CC1)Cl C153659 [0,0,0,1,0,0|1,0,0]=2 574 B8R1.22 C1CCCC(CC1)N C153902 [0,0,0,1,0,0|1,0,0]=2 575 B8R1.22 C1CCCC(CC1)O C105241 [0,0,0,1,0,0|0,0,0]=1 576 B8R1.22 C=C1OCCCCO1 M194650 [0,0,0,1,0,0|1,0,2]=4 577 B8R1.22 CN1CCCNCC1 M138837 [0,0,0,1,0,0|3,0,0]=4 578 B8R1.36 C#CCOCC1CO1 G133258 [0,0,0,1,0,0|1,0,2]=4 579 B8R1.36 C1CC1NCCC#N C171087 [0,0,0,1,0,0|2,0,1]=4 580 B8R1.36 C=CCOCC1CO1 A106314 [0,0,0,1,0,0|1,0,2]=4 581 B8R1.36 CCCCCC1CO1 E156381 [0,0,0,1,0,0|0,0,0]=1 582 B8R1.36 CCCNCC1CC1 N300667 [0,0,0,1,0,0|2,0,0]=3 583 B8R1.49 C1CCCC=CCC1 C100852 [0,0,0,1,0,0|1,0,1]=3 584 B8R1.49 C1CCCC=CCC1 C118535 [0,0,0,1,0,0|1,0,1]=3 585 B8R1.49 C1CCCC=CCC1 C129192 [0,0,0,1,0,0|1,0,1]=3 586 B8R1.49 C1CCCC=CCC1 C189232 [0,0,0,1,0,0|1,0,1]=3 587 B8R1.49 C1CCCC=CCC1 C294026 [0,0,0,1,0,0|1,0,1]=3 588 B8R1.49 C1CCCCCCC1 C153590 [0,0,0,1,0,0|1,0,0]=2 589 B8R1.49 C1CCCNCCC1 H157012 [0,0,0,1,0,0|1,0,0]=2 590 B5R0.2 C#CCCCO P106295 [2,0,0,0,0,0|0,0,2]=4 591 B5R0.2 C(CCBr)CBr D105749 [2,0,0,0,0,0|2,0,0]=4 592 B5R0.2 C(CCBr)CCl B109690 [2,0,0,0,0,0|2,0,0]=4 593 B5R0.2 C(CCBr)CF B122542 [2,0,0,0,0,0|2,0,0]=4 594 B5R0.2 C(CCBr)CN B163034 [2,0,0,0,0,0|2,0,0]=4 595 B5R0.2 C(CCBr)CO B136242 [2,0,0,0,0,0|1,0,0]=3 596 B5R0.2 C(CCCl)CCl D103409 [2,0,0,0,0,0|2,0,0]=4 597 B5R0.2 C(CCCl)CO C118833 [2,0,0,0,0,0|1,0,0]=3 598 B5R0.2 C(CCI)CCl C153542 [2,0,0,0,0,0|2,0,0]=4 599 B5R0.2 C(CCI)CI D155304 [2,0,0,0,0,0|2,0,0]=4 600 B5R0.2 C(CCN)CN B292804 [2,0,0,0,0,0|2,0,0]=4 601 B5R0.2 C(CCN)CN B304967 [2,0,0,0,0,0|2,0,0]=4 602 B5R0.2 C(CCN)CN B492953 [2,0,0,0,0,0|2,0,0]=4 603 B5R0.2 C(CCN)CN D106194 [2,0,0,0,0,0|2,0,0]=4 604 B5R0.2 C(CCN)CN D423441 [2,0,0,0,0,0|2,0,0]=4 605 B5R0.2 C(CCN)CN D472054 [2,0,0,0,0,0|2,0,0]=4 606 B5R0.2 C(CCO)CN A109739 [2,0,0,0,0,0|1,0,0]=3 607 B5R0.2 C(CCO)CO B110391 [2,0,0,0,0,0|1,0,0]=3 608 B5R0.2 C(CCO)CO B110394 [2,0,0,0,0,0|1,0,0]=3 609 B5R0.2 C(CCO)CO B110395 [2,0,0,0,0,0|1,0,0]=3 610 B5R0.2 C(CCS)CO M338696 [2,0,0,0,0,0|1,0,0]=3 611 B5R0.2 C(CCS)CS B152757 [2,0,0,0,0,0|1,1,0]=4 612 B5R0.2 C(CCS)CS B419814 [2,0,0,0,0,0|1,1,0]=4 613 B5R0.2 C=CCCCO P103073 [2,0,0,0,0,0|0,0,2]=4 614 B5R0.2 CC#CCCO P160656 [2,0,0,0,0,0|0,0,2]=4 615 B5R0.2 CCC#CCC H157357 [2,0,0,0,0,0|0,0,2]=4 616 B5R0.2 CCC#CCO P160655 [2,0,0,0,0,0|0,0,2]=4 617 B5R0.2 CCC=CCC C153487 [2,0,0,0,0,0|0,0,2]=4 618 B5R0.2 CCC=CCC H157267 [2,0,0,0,0,0|0,0,2]=4 619 B5R0.2 CCC=CCC T162372 [2,0,0,0,0,0|0,0,2]=4 620 B5R0.2 CCC=CCO C153493 [2,0,0,0,0,0|0,0,2]=4 621 B5R0.2 CCC=CCO T299958 [2,0,0,0,0,0|0,0,2]=4 622 B5R0.2 CCCC#CC H157356 [2,0,0,0,0,0|0,0,2]=4 623 B5R0.2 CCCC=CC C153486 [2,0,0,0,0,0|0,0,2]=4 624 B5R0.2 CCCC=CC H157262 [2,0,0,0,0,0|0,0,2]=4 625 B5R0.2 CCCC=CC T162371 [2,0,0,0,0,0|0,0,2]=4 626 B5R0.2 CCCC=NO B152406 [2,0,0,0,0,0|1,0,1]=4 627 B5R0.2 CCCCC#C H106703 [2,0,0,0,0,0|0,0,2]=4 628 B5R0.2 CCCCC#N B100431 [2,0,0,0,0,0|1,0,1]=4 629 B5R0.2 CCCCC#N B100432 [2,0,0,0,0,0|1,0,1]=4 630 B5R0.2 CCCCC=C H109530 [2,0,0,0,0,0|0,0,2]=4 631 B5R0.2 CCCCC=C H109531 [2,0,0,0,0,0|0,0,2]=4 632 B5R0.2 CCCCC=C H109532 [2,0,0,0,0,0|0,0,2]=4 633 B5R0.2 CCCCC=C H109533 [2,0,0,0,0,0|0,0,2]=4 634 B5R0.2 CCCCC=O V103717 [2,0,0,0,0,0|0,0,2]=4 635 B5R0.2 CCCCCBr B104782 [2,0,0,0,0,0|1,0,0]=3 636 B5R0.2 CCCCCBr B305762 [2,0,0,0,0,0|1,0,0]=3 637 B5R0.2 CCCCCC H100107 [2,0,0,0,0,0|0,0,0]=2 638 B5R0.2 CCCCCC H109653 [2,0,0,0,0,0|0,0,0]=2 639 B5R0.2 CCCCCC H109654 [2,0,0,0,0,0|0,0,0]=2 640 B5R0.2 CCCCCC H109656 [2,0,0,0,0,0|0,0,0]=2 641 B5R0.2 CCCCCC H109659 [2,0,0,0,0,0|0,0,0]=2 642 B5R0.2 CCCCCC H119662 [2,0,0,0,0,0|0,0,0]=2 643 B5R0.2 CCCCCC H121283 [2,0,0,0,0,0|0,0,0]=2 644 B5R0.2 CCCCCC H140380 [2,0,0,0,0,0|0,0,0]=2 645 B5R0.2 CCCCCC H298923 [2,0,0,0,0,0|0,0,0]=2 646 B5R0.2 CCCCCC N431441 [2,0,0,0,0,0|0,0,0]=2 647 B5R0.2 CCCCCCl C109473 [2,0,0,0,0,0|1,0,0]=3 648 B5R0.2 CCCCCCl C109474 [2,0,0,0,0,0|1,0,0]=3 649 B5R0.2 CCCCCF F171115 [2,0,0,0,0,0|1,0,0]=3 650 B5R0.2 CCCCCI I104798 [2,0,0,0,0,0|1,0,0]=3 651 B5R0.2 CCCCCN A105343 [2,0,0,0,0,0|1,0,0]=3 652 B5R0.2 CCCCCN P292685 [2,0,0,0,0,0|1,0,0]=3 653 B5R0.2 CCCCCN P292697 [2,0,0,0,0,0|1,0,0]=3 654 B5R0.2 CCCCCN P292701 [2,0,0,0,0,0|1,0,0]=3 655 B5R0.2 CCCCCN P494144 [2,0,0,0,0,0|1,0,0]=3 656 B5R0.2 CCCCCO N350217 [2,0,0,0,0,0|0,0,0]=2 657 B5R0.2 CCCCCO P108125 [2,0,0,0,0,0|0,0,0]=2 658 B5R0.2 CCCCCO P108126 [2,0,0,0,0,0|0,0,0]=2 659 B5R0.2 CCCCCO P108127 [2,0,0,0,0,0|0,0,0]=2 660 B5R0.2 CCCCCO P108128 [2,0,0,0,0,0|0,0,0]=2 661 B5R0.2 CCCCCO P108129 [2,0,0,0,0,0|0,0,0]=2 662 B5R0.2 CCCCCO P108130 [2,0,0,0,0,0|0,0,0]=2 663 B5R0.2 CCCCCS A100028 [2,0,0,0,0,0|0,1,0]=3 664 B5R0.2 CCCCOC B152821 [2,0,0,0,0,0|1,0,0]=3 665 B5R0.2 CCCCON O184596 [2,0,0,0,0,0|2,0,0]=4 666 B5R0.2 CCCCSC B152508 [2,0,0,0,0,0|1,0,0]=3 667 B5R0.2 CCCC[Sn]Cl B302420 [2,0,0,0,0,0|2,0,0]=4 668 B5R0.2 CCCNCC N159096 [2,0,0,0,0,0|1,0,0]=3 669 B5R0.2 CCCOCC E156162 [2,0,0,0,0,0|1,0,0]=3 670 B5R0.2 CCCSCC E134963 [2,0,0,0,0,0|1,0,0]=3 671 B5R0.2 CCCSSC M103114 [2,0,0,0,0,0|2,0,0]=4 672 B5R0.2 CCNCCN N138023 [2,0,0,0,0,0|2,0,0]=4 673 B5R0.2 CCNCCO E156112 [2,0,0,0,0,0|1,0,0]=3 674 B5R0.2 CCNCCO E301665 [2,0,0,0,0,0|1,0,0]=3 675 B5R0.2 CCNNCC D487275 [2,0,0,0,0,0|2,0,0]=4 676 B5R0.2 CCOCCBr B152837 [2,0,0,0,0,0|2,0,0]=4 677 B5R0.2 CCOCCCl C153264 [2,0,0,0,0,0|2,0,0]=4 678 B5R0.2 CCOCCN E156296 [2,0,0,0,0,0|2,0,0]=4 679 B5R0.2 CCOCCO E110821 [2,0,0,0,0,0|1,0,0]=3 680 B5R0.2 CCOCCO E110822 [2,0,0,0,0,0|1,0,0]=3 681 B5R0.2 CCOCCO E118463 [2,0,0,0,0,0|1,0,0]=3 682 B5R0.2 CCSCCCl C102885 [2,0,0,0,0,0|2,0,0]=4 683 B5R0.2 CCSCCN E170901 [2,0,0,0,0,0|2,0,0]=4 684 B5R0.2 CCSCCN E300178 [2,0,0,0,0,0|2,0,0]=4 685 B5R0.2 CCSCCO E156428 [2,0,0,0,0,0|1,0,0]=3 686 B5R0.2 CCSSCC D140646 [2,0,0,0,0,0|2,0,0]=4 687 B5R0.2 CC[Se][Se]CC D155798 [2,0,0,0,0,0|2,0,0]=4 688 B5R0.2 CNCCCN N104493 [2,0,0,0,0,0|2,0,0]=4 689 B5R0.2 CNCCCO M133702 [2,0,0,0,0,0|1,0,0]=3 690 B5R0.2 CNCCNC D106275 [2,0,0,0,0,0|2,0,0]=4 691 B5R0.2 CNCCOC N159090 [2,0,0,0,0,0|2,0,0]=4 692 B5R0.2 COCCCBr B136284 [2,0,0,0,0,0|2,0,0]=4 693 B5R0.2 COCCCCl C108061 [2,0,0,0,0,0|2,0,0]=4 694 B5R0.2 COCCCN M134485 [2,0,0,0,0,0|2,0,0]=4 695 B5R0.2 COCCCN M587821 [2,0,0,0,0,0|2,0,0]=4 696 B5R0.2 COCCCO M107732 [2,0,0,0,0,0|1,0,0]=3 697 B5R0.2 COCCOC D299631 [2,0,0,0,0,0|2,0,0]=4 698 B5R0.2 COCCOC E104387 [2,0,0,0,0,0|2,0,0]=4 699 B5R0.2 COCCOC E104388 [2,0,0,0,0,0|2,0,0]=4 700 B5R0.2 COCCOC E104391 [2,0,0,0,0,0|2,0,0]=4 701 B5R0.2 COCCOC E119676 [2,0,0,0,0,0|2,0,0]=4 702 B5R0.2 COCCOC I282413 [2,0,0,0,0,0|2,0,0]=4 703 B5R0.2 COCCOC P107530 [2,0,0,0,0,0|2,0,0]=4 704 B5R0.2 COCCOC P432396 [2,0,0,0,0,0|2,0,0]=4 705 B5R0.2 COCCOC P432397 [2,0,0,0,0,0|2,0,0]=4 706 B5R0.2 COCCOC P432398 [2,0,0,0,0,0|2,0,0]=4 707 B5R0.2 CSCCCN M158420 [2,0,0,0,0,0|2,0,0]=4 708 B5R0.2 CSCCCO M102967 [2,0,0,0,0,0|1,0,0]=3 709 B5R0.2 OCCCCO P487355 [2,0,0,0,0,0|1,0,0]=3 710 B7R0.3 C(CC(CO)O)CO P160114 [1,1,0,0,0,0|1,0,0]=3 711 B7R0.3 CC(CCCN)CN M158599 [1,1,0,0,0,0|2,0,0]=4 712 B7R0.3 CCC(=O)NCCO N158966 [1,1,0,0,0,0|1,0,1]=4 713 B7R0.3 CCCCC(=C)CC E156236 [1,1,0,0,0,0|0,0,1]=3 714 B7R0.3 CCCCC(=O)CC H103766 [1,1,0,0,0,0|0,0,1]=3 715 B7R0.3 CCCCC(=O)OC M108213 [1,1,0,0,0,0|1,0,1]=4 716 B7R0.3 CCCCC(=O)OC M108214 [1,1,0,0,0,0|1,0,1]=4 717 B7R0.3 CCCCC(C#C)O H115791 [1,1,0,0,0,0|0,0,2]=4 718 B7R0.3 CCCCC(C)CC M113650 [1,1,0,0,0,0|0,0,0]=2 719 B7R0.3 CCCCC(C=C)O H589251 [1,1,0,0,0,0|0,0,2]=4 720 B7R0.3 CCCCC(CC)Br B152441 [1,1,0,0,0,0|0,0,0]=2 721 B7R0.3 CCCCC(CC)O H156872 [1,1,0,0,0,0|0,0,0]=2 722 B7R0.3 CCCCC(CO)N R349958 [1,1,0,0,0,0|0,0,0]=2 723 B7R0.3 CCCCC(CO)O H108067 [1,1,0,0,0,0|0,0,0]=2 724 B7R0.3 CCCNC(C)CC N158968 [1,1,0,0,0,0|1,0,0]=3 725 B7R0.3 CCCOC(=O)CC P111531 [1,1,0,0,0,0|1,0,1]=4 726 B7R0.3 CCCOC(=O)CC P111532 [1,1,0,0,0,0|1,0,1]=4 727 B7R0.3 CCOCC(CO)O E305267 [1,1,0,0,0,0|1,0,0]=3 728 B7R0.3 CSCCC(CO)N D339853 [1,1,0,0,0,0|1,0,0]=3 729 B7R0.3 CSCCC(CO)N M117138 [1,1,0,0,0,0|1,0,0]=3 730 B7R0.3 CSCCC(CO)N S167794 [1,1,0,0,0,0|1,0,0]=3 731 B7R0.4 B(CCCCC)(O)O N193507 [1,1,0,0,0,0|1,0,0]=3 732 B7R0.4 C(CCBr)CC(=O)O B106966 [1,1,0,0,0,0|1,0,1]=4 733 B7R0.4 C(CCCl)CC(=O)O C153468 [1,1,0,0,0,0|1,0,1]=4 734 B7R0.4 C(CCN)CC(=O)O A107493 [1,1,0,0,0,0|1,0,1]=4 735 B7R0.4 C(CCN)CC(=O)O A151151 [1,1,0,0,0,0|1,0,1]=4 736 B7R0.4 C(CCN)CC(=O)O A151349 [1,1,0,0,0,0|1,0,1]=4 737 B7R0.4 C(CCN)CC(=O)O A491891 [1,1,0,0,0,0|1,0,1]=4 738 B7R0.4 C(CCN)CC(=O)O A491894 [1,1,0,0,0,0|1,0,1]=4 739 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,1,0,0,0,0|1,0,1]=4 740 B7R0.4 CC(=O)CCCCCl C108058 [1,1,0,0,0,0|1,0,1]=4 741 B7R0.4 CC(C)COCCO E156429 [1,1,0,0,0,0|1,0,0]=3 742 B7R0.4 CC(C)CSCCO I157607 [1,1,0,0,0,0|1,0,0]=3 743 B7R0.4 CC(C)NCCCO I157484 [1,1,0,0,0,0|1,0,0]=3 744 B7R0.4 CC(C)NCCOC N158963 [1,1,0,0,0,0|2,0,0]=4 745 B7R0.4 CC(C)OCCCN A133357 [1,1,0,0,0,0|2,0,0]=4 746 B7R0.4 CC(CCCCO)O H474422 [1,1,0,0,0,0|0,0,0]=2 747 B7R0.4 CC(CNCCN)O N159095 [1,1,0,0,0,0|2,0,0]=4 748 B7R0.4 CCCCCC(=C)C M158504 [1,1,0,0,0,0|0,0,1]=3 749 B7R0.4 CCCCCC(=O)C H103803 [1,1,0,0,0,0|0,0,1]=3 750 B7R0.4 CCCCCC(=O)C H103827 [1,1,0,0,0,0|0,0,1]=3 751 B7R0.4 CCCCCC(=O)Cl H102419 [1,1,0,0,0,0|0,0,2]=4 752 B7R0.4 CCCCCC(=O)Cl H130076 [1,1,0,0,0,0|0,0,2]=4 753 B7R0.4 CCCCCC(=O)N H157108 [1,1,0,0,0,0|0,0,2]=4 754 B7R0.4 CCCCCC(=O)O H103630 [1,1,0,0,0,0|0,0,1]=3 755 B7R0.4 CCCCCC(=O)O H103631 [1,1,0,0,0,0|0,0,1]=3 756 B7R0.4 CCCCCC(=O)O H103632 [1,1,0,0,0,0|0,0,1]=3 757 B7R0.4 CCCCCC(=O)O H278778 [1,1,0,0,0,0|0,0,1]=3 758 B7R0.4 CCCCCC(=O)O H432079 [1,1,0,0,0,0|0,0,1]=3 759 B7R0.4 CCCCCC(=O)[O-] S161313 [1,1,0,0,0,0|0,0,2]=4 760 B7R0.4 CCCCCC(C)C M113649 [1,1,0,0,0,0|0,0,0]=2 761 B7R0.4 CCCCCC(C)C M406726 [1,1,0,0,0,0|0,0,0]=2 762 B7R0.4 CCCCCC(C)N A166657 [1,1,0,0,0,0|0,0,0]=2 763 B7R0.4 CCCCCC(C)N A421028 [1,1,0,0,0,0|0,0,0]=2 764 B7R0.4 CCCCCC(C)N S474322 [1,1,0,0,0,0|0,0,0]=2 765 B7R0.4 CCCCCC(C)O H100747 [1,1,0,0,0,0|0,0,0]=2 766 B7R0.4 CCCCCC(C)O I137289 [1,1,0,0,0,0|0,0,0]=2 767 B7R0.4 CCCCOC(=O)C B116224 [1,1,0,0,0,0|1,0,1]=4 768 B7R0.4 CCCCOC(=O)C B116225 [1,1,0,0,0,0|1,0,1]=4 769 B7R0.4 CCCCOC(=O)C B116227 [1,1,0,0,0,0|1,0,1]=4 770 B7R0.4 CCCCOC(=O)C B116228 [1,1,0,0,0,0|1,0,1]=4 771 B7R0.4 CCCCOC(=O)C B119685 [1,1,0,0,0,0|1,0,1]=4 772 B7R0.4 CCCOCC(C)O P160113 [1,1,0,0,0,0|1,0,0]=3 773 B7R0.4 CCNCCN(C)C I166658 [1,1,0,0,0,0|2,0,0]=4 774 B7R0.4 CCOCCC(=O)C E156453 [1,1,0,0,0,0|1,0,1]=4 775 B7R0.4 CCOCCC(=O)O E156172 [1,1,0,0,0,0|1,0,1]=4 776 B7R0.4 CN(C)CCCCN B301211 [1,1,0,0,0,0|2,0,0]=4 777 B7R0.4 CNCCCC(=O)O M276212 [1,1,0,0,0,0|1,0,1]=4 778 B7R0.4 CNCCCC(=O)O M397624 [1,1,0,0,0,0|1,0,1]=4 779 B7R0.4 CNCCCN(C)C I170434 [1,1,0,0,0,0|2,0,0]=4 780 B7R0.4 COCCCC(=O)O M192558 [1,1,0,0,0,0|1,0,1]=4 781 B7R0.7 CC(CCO)CCO M157872 [1,1,0,0,0,0|1,0,0]=3 782 B7R0.7 CCCC(=O)CCC H103840 [1,1,0,0,0,0|0,0,1]=3 783 B7R0.7 CCCC(=O)CCC H103841 [1,1,0,0,0,0|0,0,1]=3 784 B7R0.7 CCCC(=O)OCC E101116 [1,1,0,0,0,0|1,0,1]=4 785 B7R0.7 CCCC(=O)OCC E101117 [1,1,0,0,0,0|1,0,1]=4 786 B7R0.7 CCCC(=O)OCC E101119 [1,1,0,0,0,0|1,0,1]=4 787 B7R0.7 CCCC(C)CCC M113651 [1,1,0,0,0,0|0,0,0]=2 788 B7R0.7 CCCC(CCC)N H156930 [1,1,0,0,0,0|0,0,0]=2 789 B7R0.7 CCCC(CCC)O H156873 [1,1,0,0,0,0|0,0,0]=2 790 B7R0.7 CCCC(CCO)S M102905 [1,1,0,0,0,0|0,0,0]=2 791 B7R0.7 CCCN(C)CCC I169711 [1,1,0,0,0,0|1,0,0]=3 792 B7R0.7 CCOC(=O)CCO E185621 [1,1,0,0,0,0|1,0,1]=4 793 B7R0.7 CCOC(C)OCC A109196 [1,1,0,0,0,0|2,0,0]=4 794 B7R0.7 CCOC(C)OCC A109197 [1,1,0,0,0,0|2,0,0]=4 795 B7R0.7 CN(CCO)CCO M105602 [1,1,0,0,0,0|2,0,0]=4 796 B7R0.7 CN(CCO)CCO M105603 [1,1,0,0,0,0|2,0,0]=4 797 B7R0.7 COCC(COC)N D195061 [1,1,0,0,0,0|2,0,0]=4 798 B7R0.7 COCC(COC)O D194254 [1,1,0,0,0,0|2,0,0]=4 799 B9R0.4 CCCCC(CC(=O)O)N A165644 [0,2,0,0,0,0|0,0,1]=3 800 B9R0.5 CCCCCC(=O)CCC N158991 [0,2,0,0,0,0|1,0,0]=3 801 B9R0.5 CCCCCC(=O)OCC E103497 [0,2,0,0,0,0|1,0,1]=4 802 B9R0.5 CCCCCC(=O)OCC E103498 [0,2,0,0,0,0|1,0,1]=4 803 B9R0.5 CCCCCC(=O)OCC E103499 [0,2,0,0,0,0|1,0,1]=4 804 B9R0.5 CCCCCC(C)CCC M158520 [0,2,0,0,0,0|1,0,0]=3 805 B9R0.5 CCCCOC(=O)CCC B103463 [0,2,0,0,0,0|1,0,1]=4 806 B9R0.5 CCCCOC(=O)CCC B103464 [0,2,0,0,0,0|1,0,1]=4 807 B9R0.5 CCCCOC(=O)CCS B340486 [0,2,0,0,0,0|0,1,1]=4 808 B9R0.5 CCOC(=O)CCCCBr E156150 [0,2,0,0,0,0|1,0,1]=4 809 B9R0.5 CCOC(=O)CCCCN E183506 [0,2,0,0,0,0|1,0,1]=4 810 B9R0.18 C(CC(=O)CCCCl)CCl D193277 [0,2,0,0,0,0|1,0,1]=4 811 B9R0.18 CCCCC(=O)CCCC N102321 [0,2,0,0,0,0|1,0,0]=3 812 B9R0.18 CCCCC(C)CCCC M158523 [0,2,0,0,0,0|1,0,0]=3 813 B9R0.18 CCCCC(CCCC)O N159700 [0,2,0,0,0,0|1,0,0]=3 814 B9R0.18 CCCCN(C)CCCC I169712 [0,2,0,0,0,0|1,0,0]=3 815 B9R0.18 CCCCN(C)CCCC N494461 [0,2,0,0,0,0|1,0,0]=3 816 B9R0.18 CCCCS(=O)CCCC D155298 [0,2,0,0,0,0|1,0,0]=3 817 B9R0.18 CCCC[Sn](=O)CCCC D112984 [0,2,0,0,0,0|1,0,0]=3 818 B9R0.18 CCOCC(COCC)O D154147 [0,2,0,0,0,0|2,0,0]=4 819 B9R0.18 CN(CCCN)CCCN B105353 [0,2,0,0,0,0|2,0,0]=4 820 B9R0.34 CCCC(C)CC(C)CC D155216 [0,2,0,0,0,0|1,0,0]=3 821 B9R0.35 CCCC(C(=O)CCC)O H101582 [0,2,0,0,0,0|1,0,1]=4 822 B9R0.48 CN(C)CCN(C)CCO D155697 [0,2,0,0,0,0|2,0,0]=4 823 B9R0.2 B(C=CCCCCC)(O)O E334496 [0,2,0,0,0,0|0,0,2]=4 824 B9R0.2 C#CCCCCCC(=O)O O491862 [0,2,0,0,0,0|0,0,2]=4 825 B9R0.2 C(CCCBr)CCC(=O)O B138642 [0,2,0,0,0,0|0,0,1]=3 826 B9R0.2 C(CCCN)CCC(=O)O A151309 [0,2,0,0,0,0|0,0,1]=3 827 B9R0.2 C(CCCN)CCC(=O)O A334272 [0,2,0,0,0,0|0,0,1]=3 828 B9R0.2 C(CCCO)CCC(=O)O H334249 [0,2,0,0,0,0|0,0,1]=3 829 B9R0.2 C(CCCO)CCC(=O)[O-] H333362 [0,2,0,0,0,0|0,0,1]=3 830 B9R0.2 C=CCCCCCC(=O)O O168152 [0,2,0,0,0,0|0,0,2]=4 831 B9R0.2 CC(=O)NCCCCCN N159177 [0,2,0,0,0,0|1,0,1]=4 832 B9R0.2 CC(=O)NCCCCCN N423313 [0,2,0,0,0,0|1,0,1]=4 833 B9R0.2 CC(=O)OCCCCCBr B152865 [0,2,0,0,0,0|1,0,1]=4 834 B9R0.2 CC(C)CCCCCC=O M333901 [0,2,0,0,0,0|0,0,1]=3 835 B9R0.2 CC(C)NCCCCCO I157485 [0,2,0,0,0,0|0,0,0]=2 836 B9R0.2 CCCCCC#CC(=O)O B301308 [0,2,0,0,0,0|0,0,2]=4 837 B9R0.2 CCCCCC=CC(=O)O T162199 [0,2,0,0,0,0|0,0,2]=4 838 B9R0.2 CCCCCC=CC(=O)O T422289 [0,2,0,0,0,0|0,0,2]=4 839 B9R0.2 CCCCCCCC(=O)C N105585 [0,2,0,0,0,0|0,0,1]=3 840 B9R0.2 CCCCCCCC(=O)Cl O101697 [0,2,0,0,0,0|0,0,1]=3 841 B9R0.2 CCCCCCCC(=O)N N159412 [0,2,0,0,0,0|0,0,1]=3 842 B9R0.2 CCCCCCCC(=O)O N421038 [0,2,0,0,0,0|0,0,0]=2 843 B9R0.2 CCCCCCCC(=O)O O108276 [0,2,0,0,0,0|0,0,0]=2 844 B9R0.2 CCCCCCCC(=O)O O108277 [0,2,0,0,0,0|0,0,0]=2 845 B9R0.2 CCCCCCCC(=O)O O108278 [0,2,0,0,0,0|0,0,0]=2 846 B9R0.2 CCCCCCCC(=O)O O108279 [0,2,0,0,0,0|0,0,0]=2 847 B9R0.2 CCCCCCCC(=O)O O431649 [0,2,0,0,0,0|0,0,0]=2 848 B9R0.2 CCCCCCCC(=O)O R113304 [0,2,0,0,0,0|0,0,0]=2 849 B9R0.2 CCCCCCCC(=O)[O-] L340331 [0,2,0,0,0,0|0,0,1]=3 850 B9R0.2 CCCCCCCC(=O)[O-] S113206 [0,2,0,0,0,0|0,0,1]=3 851 B9R0.2 CCCCCCCC(=O)[O-] S117847 [0,2,0,0,0,0|0,0,1]=3 852 B9R0.2 CCCCCCCC(=O)[O-] S491233 [0,2,0,0,0,0|0,0,1]=3 853 B9R0.2 CCCCCCCC(C)C M158518 [0,2,0,0,0,0|1,0,0]=3 854 B9R0.2 CCCCCCCC(C)C M406711 [0,2,0,0,0,0|1,0,0]=3 855 B9R0.2 CCCCCCCC(C)O N159697 [0,2,0,0,0,0|0,0,0]=2 856 B9R0.2 CCCCCCCC(C)O N298586 [0,2,0,0,0,0|0,0,0]=2 857 B9R0.2 CCCCCCOC(=O)C H111061 [0,2,0,0,0,0|0,0,2]=4 858 B9R0.2 CCCCCCOC(=O)C H111062 [0,2,0,0,0,0|0,0,2]=4 859 B9R0.2 CCCCCCOC(=O)C H111063 [0,2,0,0,0,0|0,0,2]=4 860 B9R0.2 CCCCCCOC(=O)Cl H139072 [0,2,0,0,0,0|0,0,2]=4 861 B9R0.2 CCCNCCCN(C)C D587926 [0,2,0,0,0,0|2,0,0]=4 862 B9R0.2 CN(C)CCCCCCO D133261 [0,2,0,0,0,0|0,0,0]=2 863 B9R0.2 COCCCCCC(=O)O M170253 [0,2,0,0,0,0|0,0,1]=3 864 B9R0.45 C#CCOCCOCCO D404157 [0,2,0,0,0,0|0,0,2]=4 865 B9R0.45 C(CCCC#N)CCC#N S101377 [0,2,0,0,0,0|1,0,1]=4 866 B9R0.45 C(CCCCBr)CCCBr D106497 [0,2,0,0,0,0|1,0,0]=3 867 B9R0.45 C(CCCCBr)CCCO B153197 [0,2,0,0,0,0|0,0,0]=2 868 B9R0.45 C(CCCCBr)CCCO B467865 [0,2,0,0,0,0|0,0,0]=2 869 B9R0.45 C(CCCCCl)CCCCl D155002 [0,2,0,0,0,0|1,0,0]=3 870 B9R0.45 C(CCCCCl)CCCO C134369 [0,2,0,0,0,0|0,0,0]=2 871 B9R0.45 C(CCCCI)CCCI D155008 [0,2,0,0,0,0|1,0,0]=3 872 B9R0.45 C(CCCCI)CCCI D473785 [0,2,0,0,0,0|1,0,0]=3 873 B9R0.45 C(CCCCN)CCCN D106924 [0,2,0,0,0,0|1,0,0]=3 874 B9R0.45 C(CCCCN)CCCN O292851 [0,2,0,0,0,0|1,0,0]=3 875 B9R0.45 C(CCCCN)CCCN O492961 [0,2,0,0,0,0|1,0,0]=3 876 B9R0.45 C(CCCCO)CCCN A151057 [0,2,0,0,0,0|0,0,0]=2 877 B9R0.45 C(CCCCO)CCCO O106925 [0,2,0,0,0,0|0,0,0]=2 878 B9R0.45 C(CCCCS)CCCS O109630 [0,2,0,0,0,0|0,1,0]=3 879 B9R0.45 C(CCCO)CCN=[N+]=[N-] A405659 [0,2,0,0,0,0|1,0,0]=3 880 B9R0.45 C(CCNCCCN)CN N136556 [0,2,0,0,0,0|1,0,0]=3 881 B9R0.45 C(CCNCCCN)CN N493987 [0,2,0,0,0,0|1,0,0]=3 882 B9R0.45 C(CCNCCCN)CN S107071 [0,2,0,0,0,0|1,0,0]=3 883 B9R0.45 C(CCNCCCN)CN S416439 [0,2,0,0,0,0|1,0,0]=3 884 B9R0.45 C(CCNCCCN)CN S421040 [0,2,0,0,0,0|1,0,0]=3 885 B9R0.45 C(CNCCNCCN)N T103760 [0,2,0,0,0,0|2,0,0]=4 886 B9R0.45 C(CNCCNCCN)N T103762 [0,2,0,0,0,0|2,0,0]=4 887 B9R0.45 C(CNCCNCCN)N T118830 [0,2,0,0,0,0|2,0,0]=4 888 B9R0.45 C(CNCCNCCN)N T278643 [0,2,0,0,0,0|2,0,0]=4 889 B9R0.45 C(CNCCNCCN)N T351225 [0,2,0,0,0,0|2,0,0]=4 890 B9R0.45 C(CNCCNCCN)N T399199 [0,2,0,0,0,0|2,0,0]=4 891 B9R0.45 C(CNCCNCCN)N T418727 [0,2,0,0,0,0|2,0,0]=4 892 B9R0.45 C(CNCCNCCN)N T423773 [0,2,0,0,0,0|2,0,0]=4 893 B9R0.45 C(CNCCNCCN)N T431497 [0,2,0,0,0,0|2,0,0]=4 894 B9R0.45 C(CNCCO)NCCO N140386 [0,2,0,0,0,0|1,0,0]=3 895 B9R0.45 C(COCCCl)OCCCl B152851 [0,2,0,0,0,0|2,0,0]=4 896 B9R0.45 C(COCCI)OCCI B152842 [0,2,0,0,0,0|2,0,0]=4 897 B9R0.45 C(COCCOCCBr)O B339878 [0,2,0,0,0,0|1,0,0]=3 898 B9R0.45 C(COCCOCCCl)O C133890 [0,2,0,0,0,0|1,0,0]=3 899 B9R0.45 C(COCCOCCN)N B152231 [0,2,0,0,0,0|2,0,0]=4 900 B9R0.45 C(COCCOCCO)N H122187 [0,2,0,0,0,0|1,0,0]=3 901 B9R0.45 C(COCCOCCO)O P486555 [0,2,0,0,0,0|1,0,0]=3 902 B9R0.45 C(COCCOCCO)O T110408 [0,2,0,0,0,0|1,0,0]=3 903 B9R0.45 C(COCCOCCO)O T110409 [0,2,0,0,0,0|1,0,0]=3 904 B9R0.45 C(COCCS)OCCS D154345 [0,2,0,0,0,0|1,1,0]=4 905 B9R0.45 C(CSCCSCCO)O D108026 [0,2,0,0,0,0|1,0,0]=3 906 B9R0.45 C=CCCCCCCC=C D155279 [0,2,0,0,0,0|1,0,1]=4 907 B9R0.45 C=CCCCCCCCBr B405165 [0,2,0,0,0,0|1,0,0]=3 908 B9R0.45 CCC=CCC=CCCO N117490 [0,2,0,0,0,0|0,0,2]=4 909 B9R0.45 CCC=CCCC=CCO T162747 [0,2,0,0,0,0|0,0,2]=4 910 B9R0.45 CCC=CCCCCC=O I168780 [0,2,0,0,0,0|0,0,2]=4 911 B9R0.45 CCC=CCCCCCO N117508 [0,2,0,0,0,0|0,0,0]=2 912 B9R0.45 CCCCC#CCCCC D155794 [0,2,0,0,0,0|1,0,0]=3 913 B9R0.45 CCCCC=CCCCC C153572 [0,2,0,0,0,0|1,0,0]=3 914 B9R0.45 CCCCCC#CCCO N159701 [0,2,0,0,0,0|0,0,0]=2 915 B9R0.45 CCCCCC=CCCO C153389 [0,2,0,0,0,0|0,0,0]=2 916 B9R0.45 CCCCCCC=CC=O T162631 [0,2,0,0,0,0|0,0,2]=4 917 B9R0.45 CCCCCCC=CCO C153388 [0,2,0,0,0,0|0,0,0]=2 918 B9R0.45 CCCCCCC=CCO T162746 [0,2,0,0,0,0|0,0,0]=2 919 B9R0.45 CCCCCCCCC#C D301987 [0,2,0,0,0,0|1,0,0]=3 920 B9R0.45 CCCCCCCCC#N N158917 [0,2,0,0,0,0|1,0,0]=3 921 B9R0.45 CCCCCCCCC=C D106872 [0,2,0,0,0,0|1,0,0]=3 922 B9R0.45 CCCCCCCCC=C D106873 [0,2,0,0,0,0|1,0,0]=3 923 B9R0.45 CCCCCCCCC=O N111142 [0,2,0,0,0,0|0,0,1]=3 924 B9R0.45 CCCCCCCCCBr B105786 [0,2,0,0,0,0|1,0,0]=3 925 B9R0.45 CCCCCCCCCC D105229 [0,2,0,0,0,0|1,0,0]=3 926 B9R0.45 CCCCCCCCCC D105230 [0,2,0,0,0,0|1,0,0]=3 927 B9R0.45 CCCCCCCCCC D105231 [0,2,0,0,0,0|1,0,0]=3 928 B9R0.45 CCCCCCCCCC D105232 [0,2,0,0,0,0|1,0,0]=3 929 B9R0.45 CCCCCCCCCC D119691 [0,2,0,0,0,0|1,0,0]=3 930 B9R0.45 CCCCCCCCCCl C153658 [0,2,0,0,0,0|1,0,0]=3 931 B9R0.45 CCCCCCCCCI I157582 [0,2,0,0,0,0|1,0,0]=3 932 B9R0.45 CCCCCCCCCN N106767 [0,2,0,0,0,0|1,0,0]=3 933 B9R0.45 CCCCCCCCCO N105713 [0,2,0,0,0,0|0,0,0]=2 934 B9R0.45 CCCCCCCCCO N105714 [0,2,0,0,0,0|0,0,0]=2 935 B9R0.45 CCCCCCCCCO N301992 [0,2,0,0,0,0|0,0,0]=2 936 B9R0.45 CCCCCCCCCS N102324 [0,2,0,0,0,0|0,1,0]=3 937 B9R0.45 CCCCCCCCNC N159069 [0,2,0,0,0,0|1,0,0]=3 938 B9R0.45 CCCCCCCCSC M135102 [0,2,0,0,0,0|0,1,0]=3 939 B9R0.45 CCCCCCCN=C=S H140574 [0,2,0,0,0,0|0,1,0]=3 940 B9R0.45 CCCCCCCNCC E124207 [0,2,0,0,0,0|1,0,0]=3 941 B9R0.45 CCCCCCNCCN B301384 [0,2,0,0,0,0|1,0,0]=3 942 B9R0.45 CCCCCCOCCO E107697 [0,2,0,0,0,0|0,0,0]=2 943 B9R0.45 CCCCCCOCCO E107698 [0,2,0,0,0,0|0,0,0]=2 944 B9R0.45 CCCCNCCCCO B151924 [0,2,0,0,0,0|0,0,0]=2 945 B9R0.45 CCCCSSCCCC D154917 [0,2,0,0,0,0|1,0,0]=3 946 B9R0.45 CCCCSSCCCC D154922 [0,2,0,0,0,0|1,0,0]=3 947 B9R0.45 CCOCCCCOCC D357158 [0,2,0,0,0,0|1,0,0]=3 948 B9R0.45 CCOCCOCCOC D302026 [0,2,0,0,0,0|1,0,0]=3 949 B9R0.45 CNCCCCCCNC N159351 [0,2,0,0,0,0|1,0,0]=3 950 B9R0.45 COCCCCCCOC D155368 [0,2,0,0,0,0|0,0,0]=2 951 B9R0.46 CCCCCCC(=O)CC N158994 [0,2,0,0,0,0|1,0,0]=3 952 B9R0.46 CCCCCCC(=O)OC M158054 [0,2,0,0,0,0|0,0,1]=3 953 B9R0.46 CCCCCCC(=O)OC M158149 [0,2,0,0,0,0|0,0,1]=3 954 B9R0.46 CCCCCCC(C)CC M158519 [0,2,0,0,0,0|1,0,0]=3 955 B9R0.46 CCCCCCC(CC)O N159698 [0,2,0,0,0,0|0,0,0]=2 956 B9R0.46 CCCCCCC(CO)O O108069 [0,2,0,0,0,0|0,0,0]=2 957 B9R0.46 CCCCCOC(=O)CC P137733 [0,2,0,0,0,0|1,0,1]=4 958 B9R0.46 COC(=O)CCCCCN M138421 [0,2,0,0,0,0|1,0,1]=4 959 B9R0.1 CCC(C)CCCC(C)C D154774 [0,2,0,0,0,0|1,0,0]=3 960 B9R0.24 CCC(CCC(CC)O)O R160954 [0,2,0,0,0,0|1,0,0]=3 961 B9R0.47 C(CCN)CC(C(=O)O)N D139442 [0,2,0,0,0,0|1,0,1]=4 962 B9R0.47 C(CCN)CC(C(=O)O)N D352421 [0,2,0,0,0,0|1,0,1]=4 963 B9R0.47 C(CCN)CC(C(=O)O)N D420109 [0,2,0,0,0,0|1,0,1]=4 964 B9R0.47 C(CCN)CC(C(=O)O)N L103479 [0,2,0,0,0,0|1,0,1]=4 965 B9R0.47 C(CCN)CC(C(=O)O)N L105432 [0,2,0,0,0,0|1,0,1]=4 966 B9R0.47 C(CCN)CC(C(=O)O)N L109219 [0,2,0,0,0,0|1,0,1]=4 967 B9R0.47 C(CCN)CC(C(=O)O)N L111313 [0,2,0,0,0,0|1,0,1]=4 968 B9R0.47 C(CCN)CC(C(=O)O)N L113005 [0,2,0,0,0,0|1,0,1]=4 969 B9R0.47 C(CCN)CC(C(=O)O)N L113006 [0,2,0,0,0,0|1,0,1]=4 970 B9R0.47 C(CCN)CC(C(=O)O)N L116990 [0,2,0,0,0,0|1,0,1]=4 971 B9R0.47 C(CCN)CC(C(=O)O)N L117216 [0,2,0,0,0,0|1,0,1]=4 972 B9R0.47 C(CCN)CC(C(=O)O)N L192467 [0,2,0,0,0,0|1,0,1]=4 973 B9R0.47 C(CCN)CC(C(=O)O)N L424803 [0,2,0,0,0,0|1,0,1]=4 974 B9R0.47 C(CCN)CC(C(=O)O)N L425318 [0,2,0,0,0,0|1,0,1]=4 975 B9R0.47 C(CCN)CC(C(=O)O)N L478519 [0,2,0,0,0,0|1,0,1]=4 976 B9R0.47 C(CCN)CC(C(=O)O)N L598932 [0,2,0,0,0,0|1,0,1]=4 977 B9R0.47 C(CCN)CC(C(=O)O)N P477773 [0,2,0,0,0,0|1,0,1]=4 978 B9R0.47 C(CCN)CC(C(=O)O)N P477795 [0,2,0,0,0,0|1,0,1]=4 979 B9R0.47 C(CCN)CC(C(=O)O)N P477809 [0,2,0,0,0,0|1,0,1]=4 980 B9R0.47 C(CCN)CC(C(=O)O)N S133419 [0,2,0,0,0,0|1,0,1]=4 981 B9R0.47 C(CCN)CC(C(=O)O)N S161260 [0,2,0,0,0,0|1,0,1]=4 982 B9R0.47 C(CCN)CC(C(=O)O)N S193835 [0,2,0,0,0,0|1,0,1]=4 983 B9R0.47 CCCCCC(C(=O)O)N D137428 [0,2,0,0,0,0|0,0,1]=3 984 B9R0.47 CCCCCC(C(=O)O)N S193453 [0,2,0,0,0,0|0,0,1]=3 985 B9R0.47 CCCCCC(C)C(=O)O M102645 [0,2,0,0,0,0|0,0,1]=3 986 B9R0.47 CCCCOC(=O)C(C)O B111190 [0,2,0,0,0,0|1,0,1]=4 987 B9R0.47 CCCCOC(=O)C(C)O B303494 [0,2,0,0,0,0|1,0,1]=4 988 B9R0.47 CCSCCC(C(=O)O)N E117217 [0,2,0,0,0,0|1,0,1]=4 989 B9R0.47 CCSCCC(C(=O)O)N E117218 [0,2,0,0,0,0|1,0,1]=4 990 B9R0.50 CCCCCC(CO)CO N135728 [0,2,0,0,0,0|0,0,0]=2 991 B9R0.50 CCCCCC(OC)OC D472280 [0,2,0,0,0,0|2,0,0]=4 992 B9R0.50 CCCCOC(CC)CO P117874 [0,2,0,0,0,0|1,0,0]=3 993 B9R0.50 CCCCOC(CC)CO P118599 [0,2,0,0,0,0|1,0,0]=3 994 B9R0.50 CCCCOC(CC)CO P141386 [0,2,0,0,0,0|1,0,0]=3 995 B9R0.50 CCCCOC(CC)CO P432410 [0,2,0,0,0,0|1,0,0]=3 996 B9R0.50 CCN(CC)CCCCN D478917 [0,2,0,0,0,0|2,0,0]=4 997 B9R0.38 CC(C)(C)CCCCC=O G110311 [0,2,0,0,0,0|0,0,2]=4 998 B9R0.38 CCCCCCP(=O)(O)O H157410 [0,2,0,0,0,0|1,0,0]=3 999 B9R0.38 CCCCCCS(=O)(=O)[O-] H189073 [0,2,0,0,0,0|1,0,1]=4 1000 B9R0.38 CCCCCCS(=O)(=O)[O-] S104947 [0,2,0,0,0,0|1,0,1]=4 1001 B9R0.38 CCCCCCS(=O)(=O)[O-] S104948 [0,2,0,0,0,0|1,0,1]=4 1002 B9R0.38 CCCCCC[N+](C)(C)C H157080 [0,2,0,0,0,0|2,0,0]=4 1003 B9R0.38 CCCCCC[Si](C)(C)Cl C405518 [0,2,0,0,0,0|1,1,0]=4 1004 B9R0.38 CCCCCC[Si](C)(Cl)Cl D154169 [0,2,0,0,0,0|1,1,0]=4 1005 B9R0.38 CCCCCC[Si](Cl)(Cl)Cl T162720 [0,2,0,0,0,0|1,1,0]=4 1006 B9R0.55 CC(=O)CCCCC(=O)O O135071 [0,2,0,0,0,0|0,0,2]=4 1007 B9R0.55 CC(C)CCCCC(=O)O M304994 [0,2,0,0,0,0|0,0,1]=3 1008 B7R1.1 C1C=CCC1CO C175895 [1,0,0,1,0,0|0,0,2]=4 1009 B7R1.1 C1CC(NC1)CN A121648 [1,0,0,1,0,0|2,0,0]=4 1010 B7R1.1 C1CC(NC1)CO P106015 [1,0,0,1,0,0|1,0,0]=3 1011 B7R1.1 C1CC(NC1)CO P117145 [1,0,0,1,0,0|1,0,0]=3 1012 B7R1.1 C1CC(NC1)CO P133858 [1,0,0,1,0,0|1,0,0]=3 1013 B7R1.1 C1CC(OC1)C=O T479472 [1,0,0,1,0,0|1,0,1]=4 1014 B7R1.1 C1CC(OC1)CBr T161718 [1,0,0,1,0,0|1,0,0]=3 1015 B7R1.1 C1CC(OC1)CCl T109587 [1,0,0,1,0,0|1,0,0]=3 1016 B7R1.1 C1CC(OC1)CN T111157 [1,0,0,1,0,0|1,0,0]=3 1017 B7R1.1 C1CC(OC1)CN T113724 [1,0,0,1,0,0|1,0,0]=3 1018 B7R1.1 C1CC(OC1)CN T119768 [1,0,0,1,0,0|1,0,0]=3 1019 B7R1.1 C1CC(OC1)CO T105718 [1,0,0,1,0,0|1,0,0]=3 1020 B7R1.1 C1CC(OC1)CO T105720 [1,0,0,1,0,0|1,0,0]=3 1021 B7R1.1 C1CCC(=NO)C1 C138083 [1,0,0,1,0,0|1,0,1]=4 1022 B7R1.1 C1CCC(C1)C#N C124215 [1,0,0,1,0,0|1,0,1]=4 1023 B7R1.1 C1CCC(C1)C=O C122650 [1,0,0,1,0,0|0,0,2]=4 1024 B7R1.1 C1CCC(C1)CBr B184164 [1,0,0,1,0,0|1,0,0]=3 1025 B7R1.1 C1CCC(C1)CI I169233 [1,0,0,1,0,0|1,0,0]=3 1026 B7R1.1 C1CCC(C1)CN C176870 [1,0,0,1,0,0|1,0,0]=3 1027 B7R1.1 C1CCC(C1)CO C121238 [1,0,0,1,0,0|0,0,0]=2 1028 B7R1.1 C1CCC(C1)NN C168940 [1,0,0,1,0,0|2,0,0]=4 1029 B7R1.1 C1COC(O1)CBr B153145 [1,0,0,1,0,0|2,0,0]=4 1030 B7R1.1 C1COC(O1)CCl C153298 [1,0,0,1,0,0|2,0,0]=4 1031 B7R1.1 C1COC(O1)CN A151048 [1,0,0,1,0,0|2,0,0]=4 1032 B7R1.1 C1COC(O1)CO D193991 [1,0,0,1,0,0|2,0,0]=4 1033 B7R1.1 C1COCC1CBr B174868 [1,0,0,1,0,0|2,0,0]=4 1034 B7R1.1 C1COCC1CN A167762 [1,0,0,1,0,0|2,0,0]=4 1035 B7R1.1 C1COCC1CN A168112 [1,0,0,1,0,0|2,0,0]=4 1036 B7R1.1 C1COCC1CO T136105 [1,0,0,1,0,0|1,0,0]=3 1037 B7R1.1 CCC1=NCCO1 E137961 [1,0,0,1,0,0|1,0,1]=4 1038 B7R1.1 CCC1=NCCO1 P303248 [1,0,0,1,0,0|1,0,1]=4 1039 B7R1.1 CCC1=NCCO1 P432473 [1,0,0,1,0,0|1,0,1]=4 1040 B7R1.1 CCC1=NCCO1 P432474 [1,0,0,1,0,0|1,0,1]=4 1041 B7R1.1 CCC1CCCC1 E156243 [1,0,0,1,0,0|0,0,0]=2 1042 B7R1.1 CCN1CCCC1 E156259 [1,0,0,1,0,0|1,0,0]=3 1043 B7R1.1 CNC1CCNC1 M124586 [1,0,0,1,0,0|2,0,0]=4 1044 B7R1.1 COC1CCCC1 C102202 [1,0,0,1,0,0|1,0,0]=3 1045 B7R1.1 COC1CCCC1 C119688 [1,0,0,1,0,0|1,0,0]=3 1046 B7R1.1 COC1CCCC1 C298967 [1,0,0,1,0,0|1,0,0]=3 1047 B7R1.1 COC1CCNC1 R176558 [1,0,0,1,0,0|2,0,0]=4 1048 B7R1.1 COC1CCNC1 S177181 [1,0,0,1,0,0|2,0,0]=4 1049 B7R1.1 COC1CCNC1 S586566 [1,0,0,1,0,0|2,0,0]=4 1050 B7R1.1 COC1OCCO1 M157786 [1,0,0,1,0,0|2,0,0]=4 1051 B7R1.1 [C-]#[N+]C1CCCC1 C153259 [1,0,0,1,0,0|1,0,1]=4 1052 B7R1.3 C1C(COCO1)O G141045 [1,0,0,1,0,0|2,0,0]=4 1053 B7R1.3 C1CC(CNC1)F F166180 [1,0,0,1,0,0|2,0,0]=4 1054 B7R1.3 C1CC(CNC1)N A119349 [1,0,0,1,0,0|2,0,0]=4 1055 B7R1.3 C1CC(CNC1)N A121532 [1,0,0,1,0,0|2,0,0]=4 1056 B7R1.3 C1CC(CNC1)N A121533 [1,0,0,1,0,0|2,0,0]=4 1057 B7R1.3 C1CC(CNC1)N A151173 [1,0,0,1,0,0|2,0,0]=4 1058 B7R1.3 C1CC(CNC1)N R586890 [1,0,0,1,0,0|2,0,0]=4 1059 B7R1.3 C1CC(CNC1)O H119140 [1,0,0,1,0,0|1,0,0]=3 1060 B7R1.3 C1CC(CNC1)O H119141 [1,0,0,1,0,0|1,0,0]=3 1061 B7R1.3 C1CC(CNC1)O H123507 [1,0,0,1,0,0|1,0,0]=3 1062 B7R1.3 C1CC(CNC1)O H123509 [1,0,0,1,0,0|1,0,0]=3 1063 B7R1.3 C1CC(CNC1)O S588362 [1,0,0,1,0,0|1,0,0]=3 1064 B7R1.3 C1CC(COC1)N S172896 [1,0,0,1,0,0|2,0,0]=4 1065 B7R1.3 C1CC(COC1)O O175461 [1,0,0,1,0,0|1,0,0]=3 1066 B7R1.3 C1CC=CC(C1)O C137053 [1,0,0,1,0,0|0,0,2]=4 1067 B7R1.3 C1CCC(=O)CC1 C116449 [1,0,0,1,0,0|0,0,2]=4 1068 B7R1.3 C1CCC(=O)CC1 C116451 [1,0,0,1,0,0|0,0,2]=4 1069 B7R1.3 C1CCC(=O)CC1 C116453 [1,0,0,1,0,0|0,0,2]=4 1070 B7R1.3 C1CCC(=O)CC1 C116454 [1,0,0,1,0,0|0,0,2]=4 1071 B7R1.3 C1CCC(=O)CC1 C295202 [1,0,0,1,0,0|0,0,2]=4 1072 B7R1.3 C1CCC(=O)CC1 C471914 [1,0,0,1,0,0|0,0,2]=4 1073 B7R1.3 C1CCC(=O)CC1 C615386 [1,0,0,1,0,0|0,0,2]=4 1074 B7R1.3 C1CCC(CC1)Br B109675 [1,0,0,1,0,0|1,0,0]=3 1075 B7R1.3 C1CCC(CC1)Cl C106088 [1,0,0,1,0,0|1,0,0]=3 1076 B7R1.3 C1CCC(CC1)F F156720 [1,0,0,1,0,0|1,0,0]=3 1077 B7R1.3 C1CCC(CC1)I I157579 [1,0,0,1,0,0|1,0,0]=3 1078 B7R1.3 C1CCC(CC1)N C103892 [1,0,0,1,0,0|1,0,0]=3 1079 B7R1.3 C1CCC(CC1)N C105033 [1,0,0,1,0,0|1,0,0]=3 1080 B7R1.3 C1CCC(CC1)N C105034 [1,0,0,1,0,0|1,0,0]=3 1081 B7R1.3 C1CCC(CC1)N C105035 [1,0,0,1,0,0|1,0,0]=3 1082 B7R1.3 C1CCC(CC1)N C105036 [1,0,0,1,0,0|1,0,0]=3 1083 B7R1.3 C1CCC(CC1)N C136515 [1,0,0,1,0,0|1,0,0]=3 1084 B7R1.3 C1CCC(CC1)N C405536 [1,0,0,1,0,0|1,0,0]=3 1085 B7R1.3 C1CCC(CC1)N C492170 [1,0,0,1,0,0|1,0,0]=3 1086 B7R1.3 C1CCC(CC1)N C492176 [1,0,0,1,0,0|1,0,0]=3 1087 B7R1.3 C1CCC(CC1)O C110399 [1,0,0,1,0,0|0,0,0]=2 1088 B7R1.3 C1CCC(CC1)O C110400 [1,0,0,1,0,0|0,0,0]=2 1089 B7R1.3 C1CCC(CC1)O C110401 [1,0,0,1,0,0|0,0,0]=2 1090 B7R1.3 C1CCC(CC1)O C121272 [1,0,0,1,0,0|0,0,0]=2 1091 B7R1.3 C1CCC(CC1)S C107602 [1,0,0,1,0,0|0,1,0]=3 1092 B7R1.3 C1CCC(CC1)[NH3+] C494008 [1,0,0,1,0,0|1,0,0]=3 1093 B7R1.3 C1CCN(CC1)N A103012 [1,0,0,1,0,0|2,0,0]=4 1094 B7R1.3 C1CCN(CC1)N A113934 [1,0,0,1,0,0|2,0,0]=4 1095 B7R1.3 C1CCOC(=O)C1 V100560 [1,0,0,1,0,0|1,0,1]=4 1096 B7R1.3 C1CNCCC1Br B123508 [1,0,0,1,0,0|2,0,0]=4 1097 B7R1.3 C1CNCCC1Cl C153867 [1,0,0,1,0,0|2,0,0]=4 1098 B7R1.3 C1CNCCC1Cl C185077 [1,0,0,1,0,0|2,0,0]=4 1099 B7R1.3 C1CNCCC1F F171054 [1,0,0,1,0,0|2,0,0]=4 1100 B7R1.3 C1CNCCC1F F590177 [1,0,0,1,0,0|2,0,0]=4 1101 B7R1.3 C1CNCCC1N A103195 [1,0,0,1,0,0|2,0,0]=4 1102 B7R1.3 C1CNCCC1O H106359 [1,0,0,1,0,0|1,0,0]=3 1103 B7R1.3 C1CNCCC1O H138960 [1,0,0,1,0,0|1,0,0]=3 1104 B7R1.3 C1COCCC1Br B169075 [1,0,0,1,0,0|2,0,0]=4 1105 B7R1.3 C1COCCC1Cl C120070 [1,0,0,1,0,0|2,0,0]=4 1106 B7R1.3 C1COCCC1I I175912 [1,0,0,1,0,0|2,0,0]=4 1107 B7R1.3 C1COCCC1N A102316 [1,0,0,1,0,0|2,0,0]=4 1108 B7R1.3 C1COCCC1N O176150 [1,0,0,1,0,0|2,0,0]=4 1109 B7R1.3 C1COCCC1O T119338 [1,0,0,1,0,0|1,0,0]=3 1110 B7R1.3 C1CSCCC1N T588299 [1,0,0,1,0,0|2,0,0]=4 1111 B7R1.3 C1CSCCC1O T161724 [1,0,0,1,0,0|1,0,0]=3 1112 B7R1.3 C=C1CCCCC1 M158229 [1,0,0,1,0,0|0,0,2]=4 1113 B7R1.3 CC1=CCCCC1 M158209 [1,0,0,1,0,0|0,0,2]=4 1114 B7R1.3 CC1CCCC=C1 M158227 [1,0,0,1,0,0|0,0,2]=4 1115 B7R1.3 CC1CCCCC1 M103329 [1,0,0,1,0,0|0,0,0]=2 1116 B7R1.3 CC1CCCCC1 M103330 [1,0,0,1,0,0|0,0,0]=2 1117 B7R1.3 CC1CCCCC1 M103331 [1,0,0,1,0,0|0,0,0]=2 1118 B7R1.3 CC1CCCCC1 M118385 [1,0,0,1,0,0|0,0,0]=2 1119 B7R1.3 CC1CCCCC1 M119670 [1,0,0,1,0,0|0,0,0]=2 1120 B7R1.3 CC1CCCCN1 I169537 [1,0,0,1,0,0|1,0,0]=3 1121 B7R1.3 CC1CCCCN1 M106737 [1,0,0,1,0,0|1,0,0]=3 1122 B7R1.3 CC1CCCNC1 M158771 [1,0,0,1,0,0|1,0,0]=3 1123 B7R1.3 CC1CCCNC1 R588230 [1,0,0,1,0,0|1,0,0]=3 1124 B7R1.3 CC1CCCNC1 S191141 [1,0,0,1,0,0|1,0,0]=3 1125 B7R1.3 CC1CCNCC1 M158650 [1,0,0,1,0,0|1,0,0]=3 1126 B7R1.3 CC1CCOCO1 M158047 [1,0,0,1,0,0|1,0,0]=3 1127 B7R1.3 CC1CNCCN1 M103218 [1,0,0,1,0,0|2,0,0]=4 1128 B7R1.3 CC1CNCCN1 M120020 [1,0,0,1,0,0|2,0,0]=4 1129 B7R1.3 CC1CNCCN1 R160832 [1,0,0,1,0,0|2,0,0]=4 1130 B7R1.3 CC1CNCCO1 M588524 [1,0,0,1,0,0|1,0,0]=3 1131 B7R1.3 CC1CNCCO1 R174894 [1,0,0,1,0,0|1,0,0]=3 1132 B7R1.3 CC1CNCCO1 S172145 [1,0,0,1,0,0|1,0,0]=3 1133 B7R1.3 CC1COCCN1 M193354 [1,0,0,1,0,0|2,0,0]=4 1134 B7R1.3 CC1COCCN1 R160948 [1,0,0,1,0,0|2,0,0]=4 1135 B7R1.3 CC1COCCN1 R177343 [1,0,0,1,0,0|2,0,0]=4 1136 B7R1.3 CC1COCCN1 S176218 [1,0,0,1,0,0|2,0,0]=4 1137 B7R1.3 CC1COCCN1 S189368 [1,0,0,1,0,0|2,0,0]=4 1138 B7R1.3 CC1SCCCS1 M171134 [1,0,0,1,0,0|1,1,0]=4 1139 B7R1.3 CN1CCCCC1 M106736 [1,0,0,1,0,0|1,0,0]=3 1140 B7R1.3 CN1CCNCC1 M108683 [1,0,0,1,0,0|2,0,0]=4 1141 B7R1.3 CN1CCNCC1 M108684 [1,0,0,1,0,0|2,0,0]=4 1142 B7R1.3 CN1CCNCC1 M136564 [1,0,0,1,0,0|2,0,0]=4 1143 B7R1.3 CN1CCOCC1 M104641 [1,0,0,1,0,0|2,0,0]=4 1144 B7R1.3 CN1CCOCC1 M104642 [1,0,0,1,0,0|2,0,0]=4 1145 B7R1.3 CN1CCOCC1 M104643 [1,0,0,1,0,0|2,0,0]=4 1146 B7R1.3 CN1CCOCC1 M104644 [1,0,0,1,0,0|2,0,0]=4 1147 B7R1.3 CN1CCOCC1 M588891 [1,0,0,1,0,0|2,0,0]=4 1148 B7R1.3 C[Si]1CCCCO1 P107083 [1,0,0,1,0,0|0,1,0]=3 1149 B7R1.3 [CH2-]C1CCCCC1 C140721 [1,0,0,1,0,0|0,0,1]=3 1150 B7R1.4 C1C(C(CN1)O)O C175295 [1,0,0,1,0,0|2,0,0]=4 1151 B7R1.4 C1C(C(CN1)O)O P108071 [1,0,0,1,0,0|2,0,0]=4 1152 B7R1.4 C1C(C(CN1)O)O P108072 [1,0,0,1,0,0|2,0,0]=4 1153 B7R1.4 C1C(C(CN1)O)O P108073 [1,0,0,1,0,0|2,0,0]=4 1154 B7R1.4 C1C(C(CN1)O)O S178122 [1,0,0,1,0,0|2,0,0]=4 1155 B7R1.4 C1C(C(CO1)O)N A587267 [1,0,0,1,0,0|2,0,0]=4 1156 B7R1.4 C1C(C(CO1)O)O A151297 [1,0,0,1,0,0|2,0,0]=4 1157 B7R1.4 C1CC(C(C1)Br)Br T332825 [1,0,0,1,0,0|2,0,0]=4 1158 B7R1.4 C1CC(C(C1)N)N C588671 [1,0,0,1,0,0|2,0,0]=4 1159 B7R1.4 C1CC(C(C1)O)N A101741 [1,0,0,1,0,0|1,0,0]=3 1160 B7R1.4 C1CC(C(C1)O)N A101751 [1,0,0,1,0,0|1,0,0]=3 1161 B7R1.4 C1CC(C(C1)O)N A187867 [1,0,0,1,0,0|1,0,0]=3 1162 B7R1.4 C1CC(C(C1)O)N C348612 [1,0,0,1,0,0|1,0,0]=3 1163 B7R1.4 C1CC(C(C1)O)N I168764 [1,0,0,1,0,0|1,0,0]=3 1164 B7R1.4 C1CC(C(C1)O)N R465237 [1,0,0,1,0,0|1,0,0]=3 1165 B7R1.4 C1CC(C(C1)O)O I170645 [1,0,0,1,0,0|1,0,0]=3 1166 B7R1.4 C1CC(C(C1)O)O T471195 [1,0,0,1,0,0|1,0,0]=3 1167 B7R1.4 CC1C(CCO1)S M102916 [1,0,0,1,0,0|1,1,0]=4 1168 B7R1.4 CC1CCCC1=O M138029 [1,0,0,1,0,0|0,0,2]=4 1169 B7R1.4 CC1CCCC1O B300625 [1,0,0,1,0,0|0,0,0]=2 1170 B7R1.6 C1C(CN1)CCO A174496 [1,0,0,1,0,0|1,0,0]=3 1171 B7R1.6 C1C(CO1)CCO O175897 [1,0,0,1,0,0|1,0,0]=3 1172 B7R1.6 C1CN(C1)CCO A194559 [1,0,0,1,0,0|1,0,0]=3 1173 B7R1.7 C=CCCC1CO1 E156386 [1,0,0,1,0,0|0,0,2]=4 1174 B7R1.7 CCCCC1CO1 E156398 [1,0,0,1,0,0|0,0,0]=2 1175 B7R1.7 CCOCC1CO1 E156388 [1,0,0,1,0,0|1,0,0]=3 1176 B7R1.24 C1CCC=CCC1 C153473 [1,0,0,1,0,0|0,0,2]=4 1177 B7R1.24 C1CCCCCC1 C110929 [1,0,0,1,0,0|0,0,0]=2 1178 B7R1.24 C1CCCNCC1 H157403 [1,0,0,1,0,0|1,0,0]=3 1179 B7R1.24 C1CCCOCC1 H157291 [1,0,0,1,0,0|0,0,0]=2 1180 B7R1.24 C1CNCCNC1 H106298 [1,0,0,1,0,0|2,0,0]=4 1181 B7R1.24 C1CNCCOC1 O587706 [1,0,0,1,0,0|1,0,0]=3 1182 B9R1.2 C1CC(CC(C1)N)C#N C587158 [0,1,0,1,0,0|1,0,1]=4 1183 B9R1.2 CCC1CCCC(C1)C E156078 [0,1,0,1,0,0|1,0,0]=3 1184 B9R1.2 CCN1CCCC(C1)O E156421 [0,1,0,1,0,0|1,0,0]=3 1185 B9R1.2 CN1CCCC(C1)CO M158768 [0,1,0,1,0,0|1,0,0]=3 1186 B9R1.7 CCCC1CCC(=O)O1 H111340 [0,1,0,1,0,0|0,0,1]=3 1187 B9R1.8 C#CCC1CCCCC1 C111193 [0,1,0,1,0,0|1,0,0]=3 1188 B9R1.8 C1CCC(=CC1)CCN C153571 [0,1,0,1,0,0|1,0,1]=4 1189 B9R1.8 C1CCC(CC1)CC#N C589137 [0,1,0,1,0,0|1,0,0]=3 1190 B9R1.8 C1CCC(CC1)CCBr B113782 [0,1,0,1,0,0|1,0,0]=3 1191 B9R1.8 C1CCC(CC1)CCN C153966 [0,1,0,1,0,0|1,0,0]=3 1192 B9R1.8 C1CCC(CC1)CCO C153306 [0,1,0,1,0,0|0,0,0]=2 1193 B9R1.8 C1CCC(CC1)N=C=S C140271 [0,1,0,1,0,0|0,1,1]=4 1194 B9R1.8 C1CCC(CC1)NC=O N159269 [0,1,0,1,0,0|0,0,2]=4 1195 B9R1.8 C1CCC(CC1)OCCl C153433 [0,1,0,1,0,0|1,0,0]=3 1196 B9R1.8 C1CCN(CC1)CC#N C153872 [0,1,0,1,0,0|1,0,1]=4 1197 B9R1.8 C1CCN(CC1)CCCl C113518 [0,1,0,1,0,0|1,0,0]=3 1198 B9R1.8 C1CCN(CC1)CCN A113914 [0,1,0,1,0,0|1,0,0]=3 1199 B9R1.8 C1CCN(CC1)CCN P189302 [0,1,0,1,0,0|1,0,0]=3 1200 B9R1.8 C1CCN(CC1)CCO H113280 [0,1,0,1,0,0|0,0,0]=2 1201 B9R1.8 C1CCNC(C1)CCO P160104 [0,1,0,1,0,0|0,0,0]=2 1202 B9R1.8 C1CCNC(C1)CCO R195067 [0,1,0,1,0,0|0,0,0]=2 1203 B9R1.8 C1CCNC(C1)CCO S186630 [0,1,0,1,0,0|0,0,0]=2 1204 B9R1.8 C1CCNC(C1)CCO S189442 [0,1,0,1,0,0|0,0,0]=2 1205 B9R1.8 C1CN(CCN1)CCF F589411 [0,1,0,1,0,0|2,0,0]=4 1206 B9R1.8 C1CN(CCN1)CCN A101279 [0,1,0,1,0,0|2,0,0]=4 1207 B9R1.8 C1CN(CCN1)CCO H101744 [0,1,0,1,0,0|1,0,0]=3 1208 B9R1.8 C1CNCCC1CCO P121582 [0,1,0,1,0,0|0,0,0]=2 1209 B9R1.8 C1CNCCC1CCO P590668 [0,1,0,1,0,0|0,0,0]=2 1210 B9R1.8 C1COC(OC1)CCBr B113749 [0,1,0,1,0,0|1,0,0]=3 1211 B9R1.8 C1COCCC1CCN A184236 [0,1,0,1,0,0|1,0,0]=3 1212 B9R1.8 C1COCCC1CCN A482649 [0,1,0,1,0,0|1,0,0]=3 1213 B9R1.8 C1COCCN1CCBr B184492 [0,1,0,1,0,0|2,0,0]=4 1214 B9R1.8 C1COCCN1CCCl C133320 [0,1,0,1,0,0|2,0,0]=4 1215 B9R1.8 C1COCCN1CCN M108995 [0,1,0,1,0,0|2,0,0]=4 1216 B9R1.8 C1COCCN1CCO H100457 [0,1,0,1,0,0|1,0,0]=3 1217 B9R1.8 C=CCC1CCCCC1 A151092 [0,1,0,1,0,0|1,0,0]=3 1218 B9R1.8 C=COC1CCCCC1 C135586 [0,1,0,1,0,0|1,0,1]=4 1219 B9R1.8 CCCC1CCCCC1 P160285 [0,1,0,1,0,0|1,0,0]=3 1220 B9R1.8 CCCN1CCNCC1 P160720 [0,1,0,1,0,0|2,0,0]=4 1221 B9R1.8 CCCN1CCNCC1 P588168 [0,1,0,1,0,0|2,0,0]=4 1222 B9R1.8 CCNC1CCCCC1 E124549 [0,1,0,1,0,0|1,0,0]=3 1223 B9R1.8 CCOC1CCCNC1 E347267 [0,1,0,1,0,0|2,0,0]=4 1224 B9R1.8 COCC1CCNCC1 M176390 [0,1,0,1,0,0|1,0,0]=3 1225 B9R1.8 COCC1CCNCC1 M195826 [0,1,0,1,0,0|1,0,0]=3 1226 B9R1.8 COCC1CNCCO1 R190852 [0,1,0,1,0,0|1,0,0]=3 1227 B9R1.8 COCC1COCCN1 M196070 [0,1,0,1,0,0|2,0,0]=4 1228 B9R1.12 C1CCC(C1)CCCO C348026 [0,1,0,1,0,0|0,0,0]=2 1229 B9R1.12 C1CCN(C1)CCCCl C176841 [0,1,0,1,0,0|1,0,0]=3 1230 B9R1.12 C1CCN(C1)CCCCl C193196 [0,1,0,1,0,0|1,0,0]=3 1231 B9R1.12 C1CCN(C1)CCCN A113933 [0,1,0,1,0,0|1,0,0]=3 1232 B9R1.12 C1CCN(C1)CCCO P191873 [0,1,0,1,0,0|0,0,0]=2 1233 B9R1.12 C1COC(O1)CCCBr B153123 [0,1,0,1,0,0|1,0,0]=3 1234 B9R1.12 C1COC(O1)CCCCl C132505 [0,1,0,1,0,0|1,0,0]=3 1235 B9R1.12 CCCCN1CCCC1 B123038 [0,1,0,1,0,0|1,0,0]=3 1236 B9R1.15 CCC1CCCCC1C E156070 [0,1,0,1,0,0|1,0,0]=3 1237 B9R1.15 CCC1CCCCC1O E156074 [0,1,0,1,0,0|0,0,0]=2 1238 B9R1.15 CN1CCCCC1CO M106741 [0,1,0,1,0,0|0,0,0]=2 1239 B9R1.15 COC1CCCCC1=O M158813 [0,1,0,1,0,0|0,0,2]=4 1240 B9R1.33 C1CC(=O)N(C1)CCO H124555 [0,1,0,1,0,0|1,0,1]=4 1241 B9R1.33 C1CC(=O)N(C1)CCO H299071 [0,1,0,1,0,0|1,0,1]=4 1242 B9R1.33 CN1CCCC1CCN A102047 [0,1,0,1,0,0|1,0,0]=3 1243 B9R1.33 CN1CCCC1CCO M102052 [0,1,0,1,0,0|0,0,0]=2 1244 B9R1.50 C1CC=CCCC(C1)O C193374 [0,1,0,1,0,0|0,0,1]=3 1245 B9R1.50 C1CC=CCCC(C1)O E487313 [0,1,0,1,0,0|0,0,1]=3 1246 B9R1.50 C1CCCC(=O)CCC1 C106984 [0,1,0,1,0,0|0,0,1]=3 1247 B9R1.50 C1CCCC(CCC1)N C153969 [0,1,0,1,0,0|1,0,0]=3 1248 B9R1.50 C1CCCC(CCC1)O C153307 [0,1,0,1,0,0|0,0,0]=2 1249 B9R1.50 C1CCCNC(=O)CC1 O159930 [0,1,0,1,0,0|0,0,2]=4 1250 B9R1.69 CC1CCC(=O)CC1C D154364 [0,1,0,1,0,0|1,0,1]=4 1251 B9R1.69 CC1CCC(C(=O)C1)C D154367 [0,1,0,1,0,0|0,0,2]=4 1252 B9R1.69 CC1CCC(C(C1)C)C T161696 [0,1,0,1,0,0|1,0,0]=3 1253 B9R1.69 CC1CCC(CC1C)O D155902 [0,1,0,1,0,0|1,0,0]=3 1254 B9R1.134 CCC[N+]1(CCCC1)C M304773 [0,1,0,1,0,0|2,0,0]=4 1255 B9R1.5 C1CCC(C(=O)CC1)Cl C153943 [0,1,0,1,0,0|0,0,2]=4 1256 B9R1.5 CN1CCCCCC1=O N159776 [0,1,0,1,0,0|0,0,2]=4 1257 B9R1.14 CCN1CCCC1CN A102507 [0,1,0,1,0,0|1,0,0]=3 1258 B9R1.14 CCN1CCCC1CN A110239 [0,1,0,1,0,0|1,0,0]=3 1259 B9R1.14 CCN1CCCC1CN R300604 [0,1,0,1,0,0|1,0,0]=3 1260 B9R1.14 COC1CNCC1OC C177197 [0,1,0,1,0,0|2,0,0]=4 1261 B9R1.83 CCCCCCC1CO1 E113793 [0,1,0,1,0,0|0,0,0]=2 1262 B9R1.83 CCCCOCC1CO1 B152235 [0,1,0,1,0,0|0,0,0]=2 1263 B9R1.89 C1CCCC(=NO)CC1 C153672 [0,1,0,1,0,0|0,0,1]=3 1264 B9R1.89 C1CCNCC(C1)CO A177665 [0,1,0,1,0,0|0,0,0]=2 1265 B9R1.89 COC1=NCCCCC1 A169044 [0,1,0,1,0,0|1,0,1]=4 1266 B9R1.103 C1CNCCNCCN1 T162094 [0,1,0,1,0,0|2,0,0]=4 1267 B9R1.103 C1CNCCNCCN1 T162147 [0,1,0,1,0,0|2,0,0]=4 1268 B9R1.1 C1CC(CCC1CO)O H135086 [0,1,0,1,0,0|0,0,0]=2 1269 B9R1.1 CC1CCC(CC1)CO M157909 [0,1,0,1,0,0|0,0,0]=2 1270 B9R1.1 CC1CCC(CC1)OC M158117 [0,1,0,1,0,0|2,0,0]=4 1271 B9R1.1 CCC1CCC(=O)CC1 E115523 [0,1,0,1,0,0|1,0,1]=4 1272 B9R1.1 CCC1CCC(CC1)N E156487 [0,1,0,1,0,0|1,0,0]=3 1273 B9R1.1 CCC1CCC(CC1)O E156092 [0,1,0,1,0,0|1,0,0]=3 1274 B9R1.1 CCC1CCC(CC1)O T162721 [0,1,0,1,0,0|1,0,0]=3 1275 B9R1.1 CCN1CCC(CC1)O N176230 [0,1,0,1,0,0|2,0,0]=4 1276 B9R1.1 CN1CCC(CC1)CN M134828 [0,1,0,1,0,0|2,0,0]=4 1277 B9R1.1 CN1CCC(CC1)CO M121881 [0,1,0,1,0,0|1,0,0]=3 1278 B9R1.1 COC1CCC(CC1)N T586646 [0,1,0,1,0,0|2,0,0]=4 1279 B9R1.1 COC1CCC(CC1)O M191661 [0,1,0,1,0,0|2,0,0]=4 1280 B9R1.3 C1CC(C(C(C1)O)O)O C153237 [0,1,0,1,0,0|1,0,0]=3 1281 B9R1.3 CC1CCCC(C1=O)C D154369 [0,1,0,1,0,0|0,0,2]=4 1282 B9R1.3 CC1CCCC(C1C)O D155904 [0,1,0,1,0,0|0,0,0]=2 1283 B9R1.11 COC(=O)C1CCCO1 M158460 [0,1,0,1,0,0|1,0,1]=4 1284 B9R1.21 C1CC(OC1CO)CO C301744 [0,1,0,1,0,0|1,0,0]=3 1285 B9R1.118 C#CC1(CCCCC1)O E124588 [0,1,0,1,0,0|1,0,1]=4 1286 B9R1.118 C1CCC(CC1)(CO)N A170341 [0,1,0,1,0,0|0,0,0]=2 1287 B9R1.118 C1COCCC1(CN)O A177118 [0,1,0,1,0,0|2,0,0]=4 1288 B9R1.118 CCC1(CCCCC1)O E156065 [0,1,0,1,0,0|1,0,0]=3 1289 B9R1.118 CCC1(CCNCC1)C E170182 [0,1,0,1,0,0|2,0,0]=4 1290 B9R1.132 C1C(C(C(N1)CO)O)O D333792 [0,1,0,1,0,0|2,0,0]=4 1291 B9R1.132 C1C(C(C(O1)CO)O)O A151783 [0,1,0,1,0,0|2,0,0]=4 1292 B9R1.6 B(C1CCCCC1)(O)O C120310 [0,1,0,1,0,0|1,0,0]=3 1293 B9R1.6 C1CC(CNC1)C(=O)O P113283 [0,1,0,1,0,0|1,0,1]=4 1294 B9R1.6 C1CC(CNC1)C(=O)O P119071 [0,1,0,1,0,0|1,0,1]=4 1295 B9R1.6 C1CC(CNC1)C(=O)O P119075 [0,1,0,1,0,0|1,0,1]=4 1296 B9R1.6 C1CC(CNC1)C(=O)O R195578 [0,1,0,1,0,0|1,0,1]=4 1297 B9R1.6 C1CCC(CC1)C(=O)Cl B115115 [0,1,0,1,0,0|0,0,2]=4 1298 B9R1.6 C1CCC(CC1)C(=O)N C131942 [0,1,0,1,0,0|0,0,2]=4 1299 B9R1.6 C1CCC(CC1)C(=O)O C110756 [0,1,0,1,0,0|0,0,1]=3 1300 B9R1.6 C1CCNC(C1)C(=O)O D331240 [0,1,0,1,0,0|1,0,1]=4 1301 B9R1.6 C1CCNC(C1)C(=O)O D358401 [0,1,0,1,0,0|1,0,1]=4 1302 B9R1.6 C1CCNC(C1)C(=O)O D424577 [0,1,0,1,0,0|1,0,1]=4 1303 B9R1.6 C1CCNC(C1)C(=O)O H100528 [0,1,0,1,0,0|1,0,1]=4 1304 B9R1.6 C1CCNC(C1)C(=O)O P101393 [0,1,0,1,0,0|1,0,1]=4 1305 B9R1.6 C1CCNC(C1)C(=O)O P106214 [0,1,0,1,0,0|1,0,1]=4 1306 B9R1.6 C1CCNC(C1)C(=O)O S136371 [0,1,0,1,0,0|1,0,1]=4 1307 B9R1.6 C1CCNC(C1)C(=O)O S192036 [0,1,0,1,0,0|1,0,1]=4 1308 B9R1.6 C1CNCCC1C(=O)O I109586 [0,1,0,1,0,0|1,0,1]=4 1309 B9R1.6 C1COCCC1C(=O)O T161847 [0,1,0,1,0,0|1,0,1]=4 1310 B9R1.6 C1CSCCC1C(=O)O T178063 [0,1,0,1,0,0|1,0,1]=4 1311 B9R1.6 CC(=O)C1CCCCC1 C139296 [0,1,0,1,0,0|0,0,2]=4 1312 B9R1.6 CC(C)C1CCCCC1 I157551 [0,1,0,1,0,0|1,0,0]=3 1313 B9R1.6 CC(C)C1CCNCC1 I157674 [0,1,0,1,0,0|2,0,0]=4 1314 B9R1.6 CC(C1CCCCC1)N R160854 [0,1,0,1,0,0|1,0,0]=3 1315 B9R1.6 CC(C1CCCCC1)N S161320 [0,1,0,1,0,0|1,0,0]=3 1316 B9R1.6 CC(C1CCCCC1)O C166344 [0,1,0,1,0,0|0,0,0]=2 1317 B9R1.6 CN(C)C1CCCCC1 D103895 [0,1,0,1,0,0|2,0,0]=4 1318 B9R1.13 C1CC(NC1)CC(=O)O L465252 [0,1,0,1,0,0|1,0,1]=4 1319 B9R1.13 C1CC(OC1)CC(=O)O T354856 [0,1,0,1,0,0|1,0,1]=4 1320 B9R1.13 C1CCC(C1)CC(=O)O C113786 [0,1,0,1,0,0|0,0,1]=3 1321 B9R1.13 C1CCN(C1)CC(=O)O P345179 [0,1,0,1,0,0|1,0,1]=4 1322 B9R1.13 CC(CN1CCCC1)N P170676 [0,1,0,1,0,0|2,0,0]=4 1323 B9R1.40 CC1(CCCCC1=O)C D166342 [0,1,0,1,0,0|0,0,2]=4 1324 B9R1.41 CN1CCCC1C(=O)O M101560 [0,1,0,1,0,0|1,0,1]=4 1325 B9R1.41 CN1CCCC1C(=O)O N170507 [0,1,0,1,0,0|1,0,1]=4 1326 B9R2.49 C1CC2COC1CN2 O174458 [0,0,0,2,0,0|1,0,0]=3 1327 B9R2.49 C1CN2CCC1CC2 Q132740 [0,0,0,2,0,0|2,0,0]=4 1328 B9R2.49 C1CN2CCC1CC2 Q469170 [0,0,0,2,0,0|2,0,0]=4 1329 B9R2.68 C1CC2CC1CC=C2 B152624 [0,0,0,2,0,0|1,0,1]=4 1330 B9R2.68 C1CC2CNCC1O2 O176753 [0,0,0,2,0,0|1,0,0]=3 1331 B9R2.68 C1CC2COCC1N2 O178120 [0,0,0,2,0,0|2,0,0]=4 1332 B9R2.174 C1CC12CCNCC2 A171780 [0,0,0,2,0,0|2,0,0]=4 1333 B9R2.6 CC12CCCCC1O2 M158366 [0,0,0,2,0,0|0,0,0]=2 1334 B9R2.39 C1C2CC(C1C=C2)O N101933 [0,0,0,2,0,0|0,0,2]=4 1335 B9R2.39 C1C2CC(C1CN2)O A175015 [0,0,0,2,0,0|1,0,0]=3 1336 B9R2.39 C1CC2CC1CC2=O N158897 [0,0,0,2,0,0|0,0,2]=4 1337 B9R2.39 C1CC2CC1CC2O B299976 [0,0,0,2,0,0|0,0,0]=2 1338 B9R2.39 C1CC2CC1CC2O E156041 [0,0,0,2,0,0|0,0,0]=2 1339 B9R2.39 CN1CC2CC1CN2 R173916 [0,0,0,2,0,0|2,0,0]=4 1340 B9R2.109 C1CC2C(O2)C(=O)C1 O342678 [0,0,0,2,0,0|1,0,1]=4 1341 B9R2.3 C1C2COCC2CN1 A589543 [0,0,0,2,0,0|1,0,0]=3 1342 B9R2.3 C1C2COCC2CN1 H589639 [0,0,0,2,0,0|1,0,0]=3 1343 B9R2.52 C1CCC2C(O2)CC1 E357124 [0,0,0,2,0,0|0,0,0]=2 1344 B9R2.69 C1C(O1)CCC2CO2 H157055 [0,0,0,2,0,0|1,0,0]=3