0 B7R0.1 BrCCCCC#CC 1P028WYM [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 BrCCCCCC#C 1P01EXYW [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 BrCCCCCC#N 1P003NLE [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 BrCCCCCC=C 1P0034UK [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 BrCCCCCCBr 1P003342 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.1 BrCCCCCNC 1P027WGZ [0,0,0,0,0,0|3,0,0]=3 6 B7R0.1 BrCCCCCOC 1P009DCM [0,0,0,0,0,0|3,0,0]=3 7 B7R0.1 BrCCCCOCC 1P01BL3O [0,0,0,0,0,0|3,0,0]=3 8 B7R0.1 BrCCCOCC=C 1P01AHII [0,0,0,0,0,0|2,0,1]=3 9 B7R0.1 BrCCOCCC#C 1P028OZI [0,0,0,0,0,0|1,0,2]=3 10 B7R0.1 BrCCOCCC=C 1P028VDA [0,0,0,0,0,0|1,0,2]=3 11 B7R0.1 BrCC\C=C\CCBr 1P00EF1S [0,0,0,0,0,0|3,0,1]=4 12 B7R0.1 C#CCOCCC#N 1P002F0N [0,0,0,0,0,0|2,0,2]=4 13 B7R0.1 C=CCCCNCC 1P01EMH2 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.1 C=CCOCCC=O 1P01EMOE [0,0,0,0,0,0|2,0,2]=4 15 B7R0.1 CCCC#CCCO 1P001LVY [0,0,0,0,0,0|1,0,1]=2 16 B7R0.1 CCCC=CCCCl 1P01A3F9 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.1 CCCC=CCCN 1P028EP1 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.1 CCCCCC#CBr 1P0283LN [0,0,0,0,0,0|2,0,2]=4 19 B7R0.1 CCCCCCC#C 1P003F1Q [0,0,0,0,0,0|2,0,1]=3 20 B7R0.1 CCCCCCC#N 1P00E98Y [0,0,0,0,0,0|2,0,1]=3 21 B7R0.1 CCCCCCC=C 1P0033AH [0,0,0,0,0,0|2,0,1]=3 22 B7R0.1 CCCCCCC=O 1P003RBK [0,0,0,0,0,0|1,0,2]=3 23 B7R0.1 CCCCCCCBr 1P00336U [0,0,0,0,0,0|2,0,0]=2 24 B7R0.1 CCCCCCCN 1P003TIH [0,0,0,0,0,0|2,0,0]=2 25 B7R0.1 CCCCCCCO 1P003RBM [0,0,0,0,0,0|1,0,0]=1 26 B7R0.1 CCCCCCCS 1P001UZQ [0,0,0,0,0,0|1,1,0]=2 27 B7R0.1 CCCCCCNC 1P003TIY [0,0,0,0,0,0|3,0,0]=3 28 B7R0.1 CCCCCCNC 1P0071Q4 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.1 CCCCCCNO 1P01BKU4 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.1 CCCCCCOC 1P003TIU [0,0,0,0,0,0|3,0,0]=3 31 B7R0.1 CCCCCCSC 1P0028ZM [0,0,0,0,0,0|3,0,0]=3 32 B7R0.1 CCCCCC[N+]#[C-] 1P001OR9 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.1 CCCCCN=C=O 1P003U2Z [0,0,0,0,0,0|2,0,2]=4 34 B7R0.1 CCCCCN=[N+]=[N-] 1P002T8M [0,0,0,0,0,0|4,0,0]=4 35 B7R0.1 CCCCNCCN 1P003T4G [0,0,0,0,0,0|2,0,0]=2 36 B7R0.1 CCCCNCCO 1P003BJ4 [0,0,0,0,0,0|1,0,0]=1 37 B7R0.1 CCCCOCC=C 1P003O6A [0,0,0,0,0,0|1,0,1]=2 38 B7R0.1 CCCCOCC=O 1P002VRW [0,0,0,0,0,0|0,0,2]=2 39 B7R0.1 CCCCOCCBr 1P00EBMP [0,0,0,0,0,0|1,0,0]=1 40 B7R0.1 CCCCOCCCl 1P003HJ3 [0,0,0,0,0,0|1,0,0]=1 41 B7R0.1 CCCCOCCN 1P00ESKH [0,0,0,0,0,0|1,0,0]=1 42 B7R0.1 CCCCOCCO 1P0033NR [0,0,0,0,0,0|0,0,0]=0 43 B7R0.1 CCCCOCCS 1P028IOV [0,0,0,0,0,0|0,1,0]=1 44 B7R0.1 CCCC\C=C\C=O 1P002H9Q [0,0,0,0,0,0|1,0,3]=4 45 B7R0.1 CCCNCCC#N 1P005T29 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.1 CCCNCCCC 1P0028E7 [0,0,0,0,0,0|2,0,0]=2 47 B7R0.1 CCCNCCCN 1P003TSH [0,0,0,0,0,0|3,0,0]=3 48 B7R0.1 CCCNCCCO 1P00D49B [0,0,0,0,0,0|2,0,0]=2 49 B7R0.1 CCCNCCOC 1P003SQH [0,0,0,0,0,0|3,0,0]=3 50 B7R0.1 CCCOCCCN 1P001XQD [0,0,0,0,0,0|2,0,0]=2 51 B7R0.1 CCCOCCCO 1P00D6JL [0,0,0,0,0,0|2,0,0]=2 52 B7R0.1 CCCSSCC=C 1P003O6L [0,0,0,0,0,0|2,1,1]=4 53 B7R0.1 CCCSSCCC 1P003UGI [0,0,0,0,0,0|2,1,0]=3 54 B7R0.1 CCC\C=C/CCC 1P003PG3 [0,0,0,0,0,0|2,0,1]=3 55 B7R0.1 CCC\C=C\CCC 1P001LFZ [0,0,0,0,0,0|2,0,1]=3 56 B7R0.1 CCNCCNCC 1P003T0D [0,0,0,0,0,0|4,0,0]=4 57 B7R0.1 CCNCCOCC 1P00C0IP [0,0,0,0,0,0|4,0,0]=4 58 B7R0.1 CCOCCCC#N 1P019SSA [0,0,0,0,0,0|3,0,1]=4 59 B7R0.1 CCSCCCC#C 1P028WX1 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.1 CCSCCSCC 1P00D8Y4 [0,0,0,0,0,0|4,0,0]=4 61 B7R0.1 CNCCCCC=C 1P004T6Q [0,0,0,0,0,0|3,0,1]=4 62 B7R0.1 CNCCCCC=C 1P00DFP1 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.1 CNCCCCNC 1P001S56 [0,0,0,0,0,0|4,0,0]=4 64 B7R0.1 CNCCCCOC 1P01C3X5 [0,0,0,0,0,0|4,0,0]=4 65 B7R0.1 CNCCCOCC 1P028AT8 [0,0,0,0,0,0|4,0,0]=4 66 B7R0.1 CNCCNCCN 1P01XC4M [0,0,0,0,0,0|3,0,0]=3 67 B7R0.1 CNCCOCC#C 1P01A0MN [0,0,0,0,0,0|2,0,1]=3 68 B7R0.1 CNCCOCC=C 1P028URJ [0,0,0,0,0,0|2,0,1]=3 69 B7R0.1 CNCCOCCCl 1P01BS6Q [0,0,0,0,0,0|2,0,0]=2 70 B7R0.1 CNCCOCCN 1P01B76T [0,0,0,0,0,0|2,0,0]=2 71 B7R0.1 CNCCOCCO 1P004K7H [0,0,0,0,0,0|1,0,0]=1 72 B7R0.1 COCCC=CCN 1P0287X9 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.1 COCCCCC#N 1P01A8B7 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.1 COCCCCC=O 1P004U88 [0,0,0,0,0,0|2,0,2]=4 75 B7R0.1 COCCCCOC 1P00107H [0,0,0,0,0,0|4,0,0]=4 76 B7R0.1 COCCCSCCl 1P01BG9J [0,0,0,0,0,0|4,0,0]=4 77 B7R0.1 COCCNCC#C 1P01E6IX [0,0,0,0,0,0|3,0,1]=4 78 B7R0.1 COCCNCC#N 1P01ACZL [0,0,0,0,0,0|3,0,1]=4 79 B7R0.1 COCCNCCF 1P01B5PV [0,0,0,0,0,0|3,0,0]=3 80 B7R0.1 COCCNCCN 1P01DQTX [0,0,0,0,0,0|3,0,0]=3 81 B7R0.1 COCCNCCO 1P01AAJ4 [0,0,0,0,0,0|2,0,0]=2 82 B7R0.1 COCCOCC#C 1P00D0ZC [0,0,0,0,0,0|2,0,1]=3 83 B7R0.1 COCCOCC#N 1P00ABFO [0,0,0,0,0,0|2,0,1]=3 84 B7R0.1 COCCOCCBr 1P00335V [0,0,0,0,0,0|2,0,0]=2 85 B7R0.1 COCCOCCCl 1P00DKC8 [0,0,0,0,0,0|2,0,0]=2 86 B7R0.1 COCCOCCI 1P007HY7 [0,0,0,0,0,0|2,0,0]=2 87 B7R0.1 COCCOCCN 1P0039AD [0,0,0,0,0,0|2,0,0]=2 88 B7R0.1 COCCOCCO 1P00357A [0,0,0,0,0,0|1,0,0]=1 89 B7R0.1 COCCOCCS 1P003F8T [0,0,0,0,0,0|1,1,0]=2 90 B7R0.1 COCCSCCN 1P028WE8 [0,0,0,0,0,0|2,1,0]=3 91 B7R0.1 COCCSCCO 1P00CDXF [0,0,0,0,0,0|1,1,0]=2 92 B7R0.1 COCOCCC#N 1P003IPA [0,0,0,0,0,0|3,0,1]=4 93 B7R0.1 COCOCCCN 1P01AUXU [0,0,0,0,0,0|3,0,0]=3 94 B7R0.1 CSCCCCC#N 1P00F2JO [0,0,0,0,0,0|3,0,1]=4 95 B7R0.1 CSCCCCC=O 1P028FY9 [0,0,0,0,0,0|2,0,2]=4 96 B7R0.1 ClCCCCCC#C 1P002H4X [0,0,0,0,0,0|2,0,2]=4 97 B7R0.1 ClCCCCCC=O 1P006UWS [0,0,0,0,0,0|2,0,2]=4 98 B7R0.1 ClCCCCCCBr 1P00336P [0,0,0,0,0,0|3,0,0]=3 99 B7R0.1 ClCCCCCCCl 1P003343 [0,0,0,0,0,0|3,0,0]=3 100 B7R0.1 ClCCCCCCI 1P00337I [0,0,0,0,0,0|3,0,0]=3 101 B7R0.1 ClCCCCCOC 1P006XHG [0,0,0,0,0,0|3,0,0]=3 102 B7R0.1 ClCCCCOCCl 1P0202F9 [0,0,0,0,0,0|4,0,0]=4 103 B7R0.1 ClCCCNCC=C 1P028VI2 [0,0,0,0,0,0|3,0,1]=4 104 B7R0.1 ClCCCSCC#N 1P01AKQ4 [0,0,0,0,0,0|2,1,1]=4 105 B7R0.1 ClCCNCCCCl 1P00G5FW [0,0,0,0,0,0|3,0,0]=3 106 B7R0.1 ClCCOCCC#N 1P001ZUR [0,0,0,0,0,0|2,0,1]=3 107 B7R0.1 ClCCSSCCCl 1P0001P3 [0,0,0,0,0,0|3,1,0]=4 108 B7R0.1 FCCCCCCBr 1P00CM7H [0,0,0,0,0,0|3,0,0]=3 109 B7R0.1 FCCCOCCBr 1P027X63 [0,0,0,0,0,0|2,0,0]=2 110 B7R0.1 ICCCCCC#C 1P004KS4 [0,0,0,0,0,0|2,0,2]=4 111 B7R0.1 ICCCCCC=C 1P00KGQU [0,0,0,0,0,0|2,0,2]=4 112 B7R0.1 ICCCCCCI 1P003E7X [0,0,0,0,0,0|3,0,0]=3 113 B7R0.1 NCCCCC#CC 1P028ZFB [0,0,0,0,0,0|2,0,2]=4 114 B7R0.1 NCCCCCC#N 1P0034S6 [0,0,0,0,0,0|3,0,1]=4 115 B7R0.1 NCCCCCC=C 1P01BBBF [0,0,0,0,0,0|2,0,2]=4 116 B7R0.1 NCCCCCCBr 1P001KYE [0,0,0,0,0,0|3,0,0]=3 117 B7R0.1 NCCCCCCCl 1P02016G [0,0,0,0,0,0|3,0,0]=3 118 B7R0.1 NCCCCCCN 1P000LTI [0,0,0,0,0,0|3,0,0]=3 119 B7R0.1 NCCCCCCN 1P002PQY [0,0,0,0,0,0|3,0,0]=3 120 B7R0.1 NCCCCCCN 1P003BHG [0,0,0,0,0,0|3,0,0]=3 121 B7R0.1 NCCCCCCO 1P0034S8 [0,0,0,0,0,0|2,0,0]=2 122 B7R0.1 NCCCCCCS 1P0032KC [0,0,0,0,0,0|2,1,0]=3 123 B7R0.1 NCCCCCNC 1P0249AX [0,0,0,0,0,0|3,0,0]=3 124 B7R0.1 NCCCCCNC 1P028GBM [0,0,0,0,0,0|3,0,0]=3 125 B7R0.1 NCCCCCNO 1P01EIRA [0,0,0,0,0,0|3,0,0]=3 126 B7R0.1 NCCCCCOC 1P01A8CH [0,0,0,0,0,0|3,0,0]=3 127 B7R0.1 NCCCCCOC 1P028NFC [0,0,0,0,0,0|3,0,0]=3 128 B7R0.1 NCCCCCSC 1P00E5BY [0,0,0,0,0,0|3,0,0]=3 129 B7R0.1 NCCCCOCC 1P019VXX [0,0,0,0,0,0|3,0,0]=3 130 B7R0.1 NCCCNCC#C 1P01JMGM [0,0,0,0,0,0|3,0,1]=4 131 B7R0.1 NCCCNCCBr 1P002O3J [0,0,0,0,0,0|3,0,0]=3 132 B7R0.1 NCCCNCCO 1P00720O [0,0,0,0,0,0|2,0,0]=2 133 B7R0.1 NCCCNCCO 1P027YKI [0,0,0,0,0,0|2,0,0]=2 134 B7R0.1 NCCCNCCS 1P001EKI [0,0,0,0,0,0|2,1,0]=3 135 B7R0.1 NCCCNCCS 1P0032KB [0,0,0,0,0,0|2,1,0]=3 136 B7R0.1 NCCCOCC#C 1P028WB6 [0,0,0,0,0,0|2,0,1]=3 137 B7R0.1 NCCCOCC=C 1P01B6R6 [0,0,0,0,0,0|2,0,1]=3 138 B7R0.1 NCCCOCCF 1P027YYF [0,0,0,0,0,0|2,0,0]=2 139 B7R0.1 NCCCOCCO 1P003AQV [0,0,0,0,0,0|1,0,0]=1 140 B7R0.1 NCCCSCCO 1P027U19 [0,0,0,0,0,0|1,1,0]=2 141 B7R0.1 NCCNCCCO 1P003SRO [0,0,0,0,0,0|3,0,0]=3 142 B7R0.1 NCCOCCC#C 1P028HY6 [0,0,0,0,0,0|1,0,2]=3 143 B7R0.1 NCCOCCC=C 1P01A3AG [0,0,0,0,0,0|1,0,2]=3 144 B7R0.1 NCCOCCCBr 1P028N0O [0,0,0,0,0,0|2,0,0]=2 145 B7R0.1 NCCOCCCCl 1P028NVK [0,0,0,0,0,0|2,0,0]=2 146 B7R0.1 NCCOCCCF 1P027XOG [0,0,0,0,0,0|2,0,0]=2 147 B7R0.1 NCCOCCCO 1P01B9K3 [0,0,0,0,0,0|2,0,0]=2 148 B7R0.1 NCCOCCCO 1P01BAL9 [0,0,0,0,0,0|2,0,0]=2 149 B7R0.1 NCCSCCC=C 1P01B5I1 [0,0,0,0,0,0|1,1,2]=4 150 B7R0.1 NCCSCCCO 1P01ABKL [0,0,0,0,0,0|2,1,0]=3 151 B7R0.1 NCCSSCCN 1P001T95 [0,0,0,0,0,0|3,1,0]=4 152 B7R0.1 NCCSSCCN 1P00354Y [0,0,0,0,0,0|3,1,0]=4 153 B7R0.1 NCCSSCCN 1P00DW6B [0,0,0,0,0,0|3,1,0]=4 154 B7R0.1 NCCSSCCN 1P01A8FE [0,0,0,0,0,0|3,1,0]=4 155 B7R0.1 NCC[Se][Se]CCN 1P003UP6 [0,0,0,0,0,0|3,1,0]=4 156 B7R0.1 NNCCNCCO 1P00496U [0,0,0,0,0,0|3,0,0]=3 157 B7R0.1 NOCCCOCC 1P0290O3 [0,0,0,0,0,0|4,0,0]=4 158 B7R0.1 NOCCOCC#C 1P019EM3 [0,0,0,0,0,0|3,0,1]=4 159 B7R0.1 NOCCOCCF 1P0285ZK [0,0,0,0,0,0|3,0,0]=3 160 B7R0.1 NOCCOCCO 1P019ENW [0,0,0,0,0,0|2,0,0]=2 161 B7R0.1 O=CCCCOCC 1P0281KP [0,0,0,0,0,0|2,0,2]=4 162 B7R0.1 OCCCCC#CC 1P01A675 [0,0,0,0,0,0|1,0,2]=3 163 B7R0.1 OCCCCCC#C 1P003NOU [0,0,0,0,0,0|1,0,2]=3 164 B7R0.1 OCCCCCC=C 1P003NOS [0,0,0,0,0,0|1,0,2]=3 165 B7R0.1 OCCCCCC=O 1P00CLL5 [0,0,0,0,0,0|2,0,1]=3 166 B7R0.1 OCCCCCCBr 1P0034SJ [0,0,0,0,0,0|2,0,0]=2 167 B7R0.1 OCCCCCCCl 1P002DJW [0,0,0,0,0,0|2,0,0]=2 168 B7R0.1 OCCCCCCF 1P00CAR0 [0,0,0,0,0,0|2,0,0]=2 169 B7R0.1 OCCCCCCI 1P00CN8B [0,0,0,0,0,0|2,0,0]=2 170 B7R0.1 OCCCCCCO 1P003345 [0,0,0,0,0,0|2,0,0]=2 171 B7R0.1 OCCCCCCO 1P008OVF [0,0,0,0,0,0|2,0,0]=2 172 B7R0.1 OCCCCCCS 1P001UH1 [0,0,0,0,0,0|2,0,0]=2 173 B7R0.1 OCCCCCNC 1P002UFW [0,0,0,0,0,0|2,0,0]=2 174 B7R0.1 OCCCCCNC 1P01BG75 [0,0,0,0,0,0|2,0,0]=2 175 B7R0.1 OCCCCCOC 1P00DC1J [0,0,0,0,0,0|2,0,0]=2 176 B7R0.1 OCCCCCSC 1P01A7IQ [0,0,0,0,0,0|2,0,0]=2 177 B7R0.1 OCCCCN=[N+]=[N-] 1P00DDZP [0,0,0,0,0,0|4,0,0]=4 178 B7R0.1 OCCCCNCC 1P003LSH [0,0,0,0,0,0|2,0,0]=2 179 B7R0.1 OCCCCOC=C 1P0026EY [0,0,0,0,0,0|2,0,2]=4 180 B7R0.1 OCCCCOCC 1P009OA8 [0,0,0,0,0,0|2,0,0]=2 181 B7R0.1 OCCCNCC#C 1P0280KM [0,0,0,0,0,0|2,0,2]=4 182 B7R0.1 OCCCOCC#C 1P01BNTK [0,0,0,0,0,0|2,0,1]=3 183 B7R0.1 OCCCOCC#N 1P01DURY [0,0,0,0,0,0|2,0,1]=3 184 B7R0.1 OCCCOCC=C 1P00EAU7 [0,0,0,0,0,0|2,0,1]=3 185 B7R0.1 OCCC\C=C/CC 1P003PFW [0,0,0,0,0,0|1,0,2]=3 186 B7R0.1 OCCNCCC#C 1P027ZYX [0,0,0,0,0,0|1,0,2]=3 187 B7R0.1 OCCNCCC#N 1P007JA3 [0,0,0,0,0,0|2,0,1]=3 188 B7R0.1 OCCNCCCO 1P0073JQ [0,0,0,0,0,0|2,0,0]=2 189 B7R0.1 OCCOCCC#C 1P027Y7P [0,0,0,0,0,0|0,0,2]=2 190 B7R0.1 OCCOCCC#N 1P00388O [0,0,0,0,0,0|1,0,1]=2 191 B7R0.1 OCCOCCC=C 1P01DUSW [0,0,0,0,0,0|0,0,2]=2 192 B7R0.1 OCCOCCCF 1P0279VT [0,0,0,0,0,0|1,0,0]=1 193 B7R0.1 OCCOCCCO 1P01J991 [0,0,0,0,0,0|1,0,0]=1 194 B7R0.1 OCCSCCCO 1P01AHF7 [0,0,0,0,0,0|1,1,0]=2 195 B7R0.1 OCCSSCCO 1P002IIE [0,0,0,0,0,0|2,1,0]=3 196 B7R0.1 SCCCCCCS 1P000IN9 [0,0,0,0,0,0|2,1,0]=3 197 B7R0.1 SCCCCOCC 1P0281BW [0,0,0,0,0,0|2,1,0]=3 198 B7R0.1 SCCOCCC=C 1P0283S0 [0,0,0,0,0,0|0,1,2]=3 199 B7R0.1 [NH3+]CCCCCC[NH3+] 1P0028IV [0,0,0,0,0,0|3,0,0]=3 200 B6R0.6 BrCCCCC#C 1P005RYA [1,0,0,0,0,0|1,0,2]=4 201 B6R0.6 BrCCCCC#N 1P003N1Z [1,0,0,0,0,0|2,0,1]=4 202 B6R0.6 BrCCCCC=C 1P003N8U [1,0,0,0,0,0|1,0,2]=4 203 B6R0.6 BrCCCCC=O 1P000IND [1,0,0,0,0,0|1,0,2]=4 204 B6R0.6 BrCCCCCBr 1P00333X [1,0,0,0,0,0|2,0,0]=3 205 B6R0.6 BrCCCOCC 1P00336B [1,0,0,0,0,0|1,0,0]=2 206 B6R0.6 BrCCCSCC 1P019SO2 [1,0,0,0,0,0|1,1,0]=3 207 B6R0.6 BrCCNCCBr 1P0037Y8 [1,0,0,0,0,0|3,0,0]=4 208 B6R0.6 BrCCOCC=C 1P007GRZ [1,0,0,0,0,0|1,0,2]=4 209 B6R0.6 BrCCOCCBr 1P003FQW [1,0,0,0,0,0|2,0,0]=3 210 B6R0.6 CC#CCCCN 1P028W0J [1,0,0,0,0,0|1,0,2]=4 211 B6R0.6 CC#CCCCO 1P00GV5D [1,0,0,0,0,0|0,0,2]=3 212 B6R0.6 CC=CCCCO 1P00EG91 [1,0,0,0,0,0|0,0,2]=3 213 B6R0.6 CCCC#CCO 1P003RBZ [1,0,0,0,0,0|0,0,2]=3 214 B6R0.6 CCCCCC#C 1P003EUC [1,0,0,0,0,0|1,0,1]=3 215 B6R0.6 CCCCCC=C 1P003EUA [1,0,0,0,0,0|1,0,1]=3 216 B6R0.6 CCCCCC=O 1P0033AJ [1,0,0,0,0,0|0,0,2]=3 217 B6R0.6 CCCCCCBr 1P0035GN [1,0,0,0,0,0|1,0,0]=2 218 B6R0.6 CCCCCCN 1P001I02 [1,0,0,0,0,0|1,0,0]=2 219 B6R0.6 CCCCCCN 1P005P82 [1,0,0,0,0,0|1,0,0]=2 220 B6R0.6 CCCCCCO 1P003RDW [1,0,0,0,0,0|0,0,0]=1 221 B6R0.6 CCCCCC[Mg+] 1P003RE7 [1,0,0,0,0,0|1,0,0]=2 222 B6R0.6 CCCCCNC 1P003TP3 [1,0,0,0,0,0|2,0,0]=3 223 B6R0.6 CCCCCNN 1P00HWX3 [1,0,0,0,0,0|2,0,0]=3 224 B6R0.6 CCCCCSC 1P001ZXE [1,0,0,0,0,0|2,0,0]=3 225 B6R0.6 CCCCC[Mg]Br 1P003TRJ [1,0,0,0,0,0|2,0,0]=3 226 B6R0.6 CCCCN=C=O 1P0035IG [1,0,0,0,0,0|1,0,2]=4 227 B6R0.6 CCCCN=C=S 1P003P2N [1,0,0,0,0,0|1,1,1]=4 228 B6R0.6 CCCCN=[N+]=N 1P0061PU [1,0,0,0,0,0|3,0,0]=4 229 B6R0.6 CCCCNC=O 1P004TQ7 [1,0,0,0,0,0|1,0,2]=4 230 B6R0.6 CCCCNCC 1P009AZS [1,0,0,0,0,0|1,0,0]=2 231 B6R0.6 CCCCOC=C 1P0038FE [1,0,0,0,0,0|0,0,2]=3 232 B6R0.6 CCCCOCCl 1P002NYD [1,0,0,0,0,0|1,0,0]=2 233 B6R0.6 CCCCSC#N 1P00E9MA [1,0,0,0,0,0|1,1,1]=4 234 B6R0.6 CCCCSCC 1P003TBE [1,0,0,0,0,0|0,1,0]=2 235 B6R0.6 CCCNCC#C 1P019XM4 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.6 CCCNCC#N 1P019WXB [1,0,0,0,0,0|2,0,1]=4 237 B6R0.6 CCCNCC=C 1P00EEVI [1,0,0,0,0,0|2,0,1]=4 238 B6R0.6 CCCNCC=C 1P00J2H3 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.6 CCCNCCC 1P001HZZ [1,0,0,0,0,0|2,0,0]=3 240 B6R0.6 CCCNCCC 1P003Q57 [1,0,0,0,0,0|2,0,0]=3 241 B6R0.6 CCCNCCN 1P003SVJ [1,0,0,0,0,0|2,0,0]=3 242 B6R0.6 CCCNCCO 1P001URY [1,0,0,0,0,0|1,0,0]=2 243 B6R0.6 CCCOCC#N 1P019XSC [1,0,0,0,0,0|1,0,1]=3 244 B6R0.6 CCCOCCBr 1P024SKS [1,0,0,0,0,0|1,0,0]=2 245 B6R0.6 CCCOCCCl 1P00I8N6 [1,0,0,0,0,0|1,0,0]=2 246 B6R0.6 CCCOCCN 1P003H01 [1,0,0,0,0,0|1,0,0]=2 247 B6R0.6 CCCOCCN 1P028YUN [1,0,0,0,0,0|1,0,0]=2 248 B6R0.6 CCCOCCO 1P003ID8 [1,0,0,0,0,0|0,0,0]=1 249 B6R0.6 CCCOCCS 1P028Y6D [1,0,0,0,0,0|0,1,0]=2 250 B6R0.6 CCCSCCN 1P00C9FB [1,0,0,0,0,0|1,1,0]=3 251 B6R0.6 CCCSSCC 1P0030MR [1,0,0,0,0,0|1,1,0]=3 252 B6R0.6 CCC\C=C\CC 1P001EUK [1,0,0,0,0,0|1,0,1]=3 253 B6R0.6 CCC\C=C\CI 1P000HQT [1,0,0,0,0,0|1,0,2]=4 254 B6R0.6 CCC\C=C\CN 1P01DWZW [1,0,0,0,0,0|1,0,2]=4 255 B6R0.6 CCC\C=C\CO 1P00GS1G [1,0,0,0,0,0|0,0,2]=3 256 B6R0.6 CCNCCC#C 1P028G9J [1,0,0,0,0,0|1,0,2]=4 257 B6R0.6 CCNCCC#N 1P003IOS [1,0,0,0,0,0|2,0,1]=4 258 B6R0.6 CCNCCC=C 1P028RU7 [1,0,0,0,0,0|1,0,2]=4 259 B6R0.6 CCOC=CCC 1P003EMN [1,0,0,0,0,0|0,0,2]=3 260 B6R0.6 CCOCC#CC 1P01A58E [1,0,0,0,0,0|0,0,2]=3 261 B6R0.6 CCOCCC#C 1P028X5B [1,0,0,0,0,0|0,0,2]=3 262 B6R0.6 CCOCCC#N 1P003JUQ [1,0,0,0,0,0|1,0,1]=3 263 B6R0.6 CCOCCC=C 1P028AU6 [1,0,0,0,0,0|0,0,2]=3 264 B6R0.6 CCOCCC=O 1P00BG9R [1,0,0,0,0,0|1,0,1]=3 265 B6R0.6 CCOCCNN 1P00J2UJ [1,0,0,0,0,0|2,0,0]=3 266 B6R0.6 CCOCCON 1P004104 [1,0,0,0,0,0|2,0,0]=3 267 B6R0.6 CCOCCON 1P01ADLQ [1,0,0,0,0,0|2,0,0]=3 268 B6R0.6 CCOCN=C=O 1P0285Y8 [1,0,0,0,0,0|2,0,1]=4 269 B6R0.6 CCOCOCC 1P0038BZ [1,0,0,0,0,0|1,0,0]=2 270 B6R0.6 CCSCCC#C 1P007FXM [1,0,0,0,0,0|0,1,2]=4 271 B6R0.6 CNCCCC#C 1P01FPQR [1,0,0,0,0,0|2,0,1]=4 272 B6R0.6 CNCCCC=C 1P01AK5P [1,0,0,0,0,0|2,0,1]=4 273 B6R0.6 CNCCCC=C 1P01EMGO [1,0,0,0,0,0|2,0,1]=4 274 B6R0.6 CNCCCCBr 1P01FPCH [1,0,0,0,0,0|2,0,0]=3 275 B6R0.6 CNCCCCCl 1P0079M0 [1,0,0,0,0,0|2,0,0]=3 276 B6R0.6 CNCCCCI 1P028S4P [1,0,0,0,0,0|2,0,0]=3 277 B6R0.6 CNCCCCN 1P001KKK [1,0,0,0,0,0|2,0,0]=3 278 B6R0.6 CNCCCCO 1P00745C [1,0,0,0,0,0|1,0,0]=2 279 B6R0.6 CNCCCNC 1P0035S0 [1,0,0,0,0,0|3,0,0]=4 280 B6R0.6 CNCCCOC 1P00DDHK [1,0,0,0,0,0|3,0,0]=4 281 B6R0.6 CNCCCSC 1P01B8I7 [1,0,0,0,0,0|3,0,0]=4 282 B6R0.6 CNCCOCC 1P007B7W [1,0,0,0,0,0|1,0,0]=2 283 B6R0.6 CNCCOCC 1P00AN7H [1,0,0,0,0,0|1,0,0]=2 284 B6R0.6 COBCCCC 1P003P2U [1,0,0,0,0,0|2,0,0]=3 285 B6R0.6 COCCCC#C 1P01B83T [1,0,0,0,0,0|2,0,1]=4 286 B6R0.6 COCCCC#N 1P019VD4 [1,0,0,0,0,0|2,0,1]=4 287 B6R0.6 COCCCC=O 1P00CBQP [1,0,0,0,0,0|1,0,2]=4 288 B6R0.6 COCCCCBr 1P00720Z [1,0,0,0,0,0|2,0,0]=3 289 B6R0.6 COCCCCCl 1P0027AF [1,0,0,0,0,0|2,0,0]=3 290 B6R0.6 COCCCCN 1P00C84L [1,0,0,0,0,0|2,0,0]=3 291 B6R0.6 COCCCCO 1P003E3X [1,0,0,0,0,0|1,0,0]=2 292 B6R0.6 COCCCCS 1P028G1B [1,0,0,0,0,0|1,1,0]=3 293 B6R0.6 COCCCNN 1P00IJ6Z [1,0,0,0,0,0|3,0,0]=4 294 B6R0.6 COCCCOC 1P007UR7 [1,0,0,0,0,0|3,0,0]=4 295 B6R0.6 COCCCON 1P01BBDG [1,0,0,0,0,0|3,0,0]=4 296 B6R0.6 COCCNCC 1P003TGA [1,0,0,0,0,0|2,0,0]=3 297 B6R0.6 COCCNCC 1P00GMCJ [1,0,0,0,0,0|2,0,0]=3 298 B6R0.6 COCCOC=C 1P001X38 [1,0,0,0,0,0|1,0,2]=4 299 B6R0.6 COCCOCCl 1P0033UB [1,0,0,0,0,0|2,0,0]=3 300 B6R0.6 COCCSCCl 1P01BG89 [1,0,0,0,0,0|2,1,0]=4 301 B6R0.6 COCOCC#N 1P0046J1 [1,0,0,0,0,0|2,0,1]=4 302 B6R0.6 COCOCCBr 1P003EJB [1,0,0,0,0,0|2,0,0]=3 303 B6R0.6 CONCCCO 1P01FICB [1,0,0,0,0,0|2,0,0]=3 304 B6R0.6 CSC#CCCO 1P0284B8 [1,0,0,0,0,0|1,0,2]=4 305 B6R0.6 CSCCCC#C 1P0292QU [1,0,0,0,0,0|2,0,1]=4 306 B6R0.6 CSCCCC#N 1P00EFCB [1,0,0,0,0,0|2,0,1]=4 307 B6R0.6 CSCCCC=O 1P00D7TQ [1,0,0,0,0,0|1,0,2]=4 308 B6R0.6 CSCCCCN 1P00DAJB [1,0,0,0,0,0|2,0,0]=3 309 B6R0.6 CSCCCCO 1P003KQ9 [1,0,0,0,0,0|1,0,0]=2 310 B6R0.6 CSCCNCC 1P01C5HY [1,0,0,0,0,0|2,0,0]=3 311 B6R0.6 CSSCCCO 1P028DQG [1,0,0,0,0,0|2,0,0]=3 312 B6R0.6 C[NH2+]CCCC[NH3+] 1P0043DY [1,0,0,0,0,0|2,0,0]=3 313 B6R0.6 C\C=C\CCCI 1P028HXK [1,0,0,0,0,0|1,0,2]=4 314 B6R0.6 C\C=C\CCCN 1P023ZOR [1,0,0,0,0,0|1,0,2]=4 315 B6R0.6 C\C=C\CCCO 1P003LXM [1,0,0,0,0,0|0,0,2]=3 316 B6R0.6 ClCCCCC#C 1P003NLU [1,0,0,0,0,0|1,0,2]=4 317 B6R0.6 ClCCCCC#N 1P003N5T [1,0,0,0,0,0|2,0,1]=4 318 B6R0.6 ClCCCCC=O 1P002DET [1,0,0,0,0,0|1,0,2]=4 319 B6R0.6 ClCCCCCBr 1P00336O [1,0,0,0,0,0|2,0,0]=3 320 B6R0.6 ClCCCCCCl 1P00ETQY [1,0,0,0,0,0|2,0,0]=3 321 B6R0.6 ClCCCCCI 1P0037KR [1,0,0,0,0,0|2,0,0]=3 322 B6R0.6 ClCCCOCC 1P007857 [1,0,0,0,0,0|1,0,0]=2 323 B6R0.6 ClCCCOCCl 1P01B67D [1,0,0,0,0,0|2,0,0]=3 324 B6R0.6 ClCCNCCCl 1P003OP1 [1,0,0,0,0,0|3,0,0]=4 325 B6R0.6 ClCCNCCCl 1P00CZOD [1,0,0,0,0,0|3,0,0]=4 326 B6R0.6 ClCCOCC#N 1P007IJD [1,0,0,0,0,0|2,0,1]=4 327 B6R0.6 ClCCOCC=C 1P001E9Q [1,0,0,0,0,0|1,0,2]=4 328 B6R0.6 ClCCOCCI 1P00I8MV [1,0,0,0,0,0|2,0,0]=3 329 B6R0.6 FCCCCC#N 1P00CWH8 [1,0,0,0,0,0|2,0,1]=4 330 B6R0.6 FCCCCCBr 1P003ELZ [1,0,0,0,0,0|2,0,0]=3 331 B6R0.6 FCCCCCS 1P01K8ZD [1,0,0,0,0,0|1,1,0]=3 332 B6R0.6 FCCCNCC 1P028MP3 [1,0,0,0,0,0|2,0,0]=3 333 B6R0.6 FCCNCCF 1P0284GE [1,0,0,0,0,0|3,0,0]=4 334 B6R0.6 FCCOCCBr 1P028DOE [1,0,0,0,0,0|2,0,0]=3 335 B6R0.6 FCCOCCS 1P028532 [1,0,0,0,0,0|1,1,0]=3 336 B6R0.6 ICCCCC#C 1P002PHI [1,0,0,0,0,0|1,0,2]=4 337 B6R0.6 ICCCCC#N 1P006JEI [1,0,0,0,0,0|2,0,1]=4 338 B6R0.6 ICCCCC=C 1P002IJY [1,0,0,0,0,0|1,0,2]=4 339 B6R0.6 ICCCCCI 1P003E6Z [1,0,0,0,0,0|2,0,0]=3 340 B6R0.6 ICCCOCC 1P000LEZ [1,0,0,0,0,0|1,0,0]=2 341 B6R0.6 ICCOCC#C 1P01B7T9 [1,0,0,0,0,0|1,0,2]=4 342 B6R0.6 ICCOCC=C 1P01AN52 [1,0,0,0,0,0|1,0,2]=4 343 B6R0.6 ICCOCCI 1P003E6Y [1,0,0,0,0,0|2,0,0]=3 344 B6R0.6 NCCC#CCC 1P023ZIW [1,0,0,0,0,0|1,0,2]=4 345 B6R0.6 NCCC#CCO 1P0285RN [1,0,0,0,0,0|1,0,2]=4 346 B6R0.6 NCCCCC#C 1P000799 [1,0,0,0,0,0|1,0,2]=4 347 B6R0.6 NCCCCC#C 1P00B5EI [1,0,0,0,0,0|1,0,2]=4 348 B6R0.6 NCCCCC#N 1P00F3PE [1,0,0,0,0,0|2,0,1]=4 349 B6R0.6 NCCCCC#N 1P00IMQG [1,0,0,0,0,0|2,0,1]=4 350 B6R0.6 NCCCCC=C 1P007HPO [1,0,0,0,0,0|1,0,2]=4 351 B6R0.6 NCCCCCBr 1P01DLW1 [1,0,0,0,0,0|2,0,0]=3 352 B6R0.6 NCCCCCCl 1P002067 [1,0,0,0,0,0|2,0,0]=3 353 B6R0.6 NCCCCCF 1P00EW9Z [1,0,0,0,0,0|2,0,0]=3 354 B6R0.6 NCCCCCF 1P024WLM [1,0,0,0,0,0|2,0,0]=3 355 B6R0.6 NCCCCCN 1P001FHD [1,0,0,0,0,0|2,0,0]=3 356 B6R0.6 NCCCCCO 1P002QWC [1,0,0,0,0,0|1,0,0]=2 357 B6R0.6 NCCCCCS 1P01BHWZ [1,0,0,0,0,0|1,1,0]=3 358 B6R0.6 NCCCCNO 1P01C2R4 [1,0,0,0,0,0|2,0,0]=3 359 B6R0.6 NCCCNCC 1P0084W6 [1,0,0,0,0,0|2,0,0]=3 360 B6R0.6 NCCCNOC 1P01B5AX [1,0,0,0,0,0|3,0,0]=4 361 B6R0.6 NCCCOC=C 1P00FHY2 [1,0,0,0,0,0|1,0,2]=4 362 B6R0.6 NCCCOCC 1P00IBKM [1,0,0,0,0,0|1,0,0]=2 363 B6R0.6 NCCNCCN 1P002LO7 [1,0,0,0,0,0|3,0,0]=4 364 B6R0.6 NCCNCCN 1P00357B [1,0,0,0,0,0|3,0,0]=4 365 B6R0.6 NCCNCCO 1P0035QW [1,0,0,0,0,0|2,0,0]=3 366 B6R0.6 NCCNCCS 1P01EJ7P [1,0,0,0,0,0|2,1,0]=4 367 B6R0.6 NCCNCCS 1P01EJ8W [1,0,0,0,0,0|2,1,0]=4 368 B6R0.6 NCCNOCC 1P028AXI [1,0,0,0,0,0|2,0,0]=3 369 B6R0.6 NCCOCC#C 1P009X6A [1,0,0,0,0,0|1,0,2]=4 370 B6R0.6 NCCOCC#C 1P01A792 [1,0,0,0,0,0|1,0,2]=4 371 B6R0.6 NCCOCC=C 1P01A5ZW [1,0,0,0,0,0|1,0,2]=4 372 B6R0.6 NCCOCC=C 1P01B763 [1,0,0,0,0,0|1,0,2]=4 373 B6R0.6 NCCOCCBr 1P028NCY [1,0,0,0,0,0|2,0,0]=3 374 B6R0.6 NCCOCCCl 1P00VVOD [1,0,0,0,0,0|2,0,0]=3 375 B6R0.6 NCCOCCF 1P01BEMA [1,0,0,0,0,0|2,0,0]=3 376 B6R0.6 NCCOCCN 1P002UGL [1,0,0,0,0,0|2,0,0]=3 377 B6R0.6 NCCOCCN 1P003FT5 [1,0,0,0,0,0|2,0,0]=3 378 B6R0.6 NCCOCCO 1P0033B3 [1,0,0,0,0,0|1,0,0]=2 379 B6R0.6 NCCOCCS 1P028L1I [1,0,0,0,0,0|1,1,0]=3 380 B6R0.6 NCCSCCN 1P003FTC [1,0,0,0,0,0|2,1,0]=4 381 B6R0.6 NCCSCCO 1P007OA8 [1,0,0,0,0,0|1,1,0]=3 382 B6R0.6 NNCCCCO 1P008H9A [1,0,0,0,0,0|2,0,0]=3 383 B6R0.6 NOCCCCF 1P027UMH [1,0,0,0,0,0|3,0,0]=4 384 B6R0.6 OCCC#CCC 1P0001O9 [1,0,0,0,0,0|0,0,2]=3 385 B6R0.6 OCCC#CCN 1P020M5V [1,0,0,0,0,0|1,0,2]=4 386 B6R0.6 OCCCC#CBr 1P01GHFN [1,0,0,0,0,0|1,0,2]=4 387 B6R0.6 OCCCCC#C 1P0034QT [1,0,0,0,0,0|0,0,2]=3 388 B6R0.6 OCCCCC#C 1P01H94D [1,0,0,0,0,0|0,0,2]=3 389 B6R0.6 OCCCCC#N 1P01AIQX [1,0,0,0,0,0|1,0,1]=3 390 B6R0.6 OCCCCC=C 1P0034QQ [1,0,0,0,0,0|0,0,2]=3 391 B6R0.6 OCCCCC=O 1P003A4R [1,0,0,0,0,0|1,0,1]=3 392 B6R0.6 OCCCCCBr 1P0034P3 [1,0,0,0,0,0|1,0,0]=2 393 B6R0.6 OCCCCCCl 1P0034PV [1,0,0,0,0,0|1,0,0]=2 394 B6R0.6 OCCCCCI 1P00FHY0 [1,0,0,0,0,0|1,0,0]=2 395 B6R0.6 OCCCCCO 1P003E7M [1,0,0,0,0,0|1,0,0]=2 396 B6R0.6 OCCCCCS 1P001UH0 [1,0,0,0,0,0|1,0,0]=2 397 B6R0.6 OCCCNC=O 1P01I7G6 [1,0,0,0,0,0|2,0,1]=4 398 B6R0.6 OCCCNCC 1P003IOQ [1,0,0,0,0,0|1,0,0]=2 399 B6R0.6 OCCCOCC 1P003JU2 [1,0,0,0,0,0|1,0,0]=2 400 B6R0.6 OCCCSCC 1P003IOV [1,0,0,0,0,0|1,0,0]=2 401 B6R0.6 OCCNCC#C 1P007LT5 [1,0,0,0,0,0|1,0,2]=4 402 B6R0.6 OCCNCC=C 1P01AJHW [1,0,0,0,0,0|1,0,2]=4 403 B6R0.6 OCCNCCCl 1P0033AW [1,0,0,0,0,0|2,0,0]=3 404 B6R0.6 OCCNCCO 1P001JNQ [1,0,0,0,0,0|2,0,0]=3 405 B6R0.6 OCCNCCO 1P00356F [1,0,0,0,0,0|2,0,0]=3 406 B6R0.6 OCCNCN=O 1P007MV1 [1,0,0,0,0,0|3,0,0]=4 407 B6R0.6 OCCOCC#C 1P0035ZZ [1,0,0,0,0,0|0,0,2]=3 408 B6R0.6 OCCOCC#N 1P027RW6 [1,0,0,0,0,0|1,0,1]=3 409 B6R0.6 OCCOCC=C 1P003BMO [1,0,0,0,0,0|0,0,2]=3 410 B6R0.6 OCCOCCBr 1P00F1SN [1,0,0,0,0,0|1,0,0]=2 411 B6R0.6 OCCOCCCl 1P0033B8 [1,0,0,0,0,0|1,0,0]=2 412 B6R0.6 OCCOCCF 1P003B11 [1,0,0,0,0,0|1,0,0]=2 413 B6R0.6 OCCOCCI 1P000V2G [1,0,0,0,0,0|1,0,0]=2 414 B6R0.6 OCCOCCO 1P002O7R [1,0,0,0,0,0|1,0,0]=2 415 B6R0.6 OCCOCCO 1P0038F2 [1,0,0,0,0,0|1,0,0]=2 416 B6R0.6 OCCOCCO 1P00IMXM [1,0,0,0,0,0|1,0,0]=2 417 B6R0.6 OCCOCCS 1P002557 [1,0,0,0,0,0|1,0,0]=2 418 B6R0.6 OCCSCC#C 1P00E16I [1,0,0,0,0,0|0,1,2]=4 419 B6R0.6 OCCSCC#N 1P0285JU [1,0,0,0,0,0|1,1,1]=4 420 B6R0.6 OCCSCCS 1P01BG7O [1,0,0,0,0,0|1,1,0]=3 421 B6R0.6 OCC\C=C/CC 1P00377Y [1,0,0,0,0,0|0,0,2]=3 422 B6R0.6 OCC\C=C\CC 1P003VE0 [1,0,0,0,0,0|0,0,2]=3 423 B6R0.6 SCCCCCS 1P003E7N [1,0,0,0,0,0|1,1,0]=3 424 B6R0.6 SCCCOCC 1P0291GZ [1,0,0,0,0,0|1,0,0]=2 425 B6R0.6 SCCOCCS 1P002GBQ [1,0,0,0,0,0|1,1,0]=3 426 B6R0.6 SCCSCCS 1P003OPG [1,0,0,0,0,0|1,2,0]=4 427 B6R0.6 [C-]#[N+]CCCOC 1P00I8P6 [1,0,0,0,0,0|3,0,0]=4 428 B6R0.6 [C-]#[N+]CCCSC 1P01HNOK [1,0,0,0,0,0|3,0,0]=4 429 B6R0.6 [C-]#[N+]CCOCC 1P0287SY [1,0,0,0,0,0|1,0,1]=3 430 B6R0.6 [N-]=[N+]=NCCCO 1P005IPR [1,0,0,0,0,0|3,0,0]=4 431 B8R0.1 BrCCOC(=O)OCC 1P020MSF [0,1,0,0,0,0|2,0,1]=4 432 B8R0.1 CCCC(=O)OCCO 1P00CZ6O [0,1,0,0,0,0|0,0,1]=2 433 B8R0.1 CCCC(CCC=C)O 1P003BA2 [0,1,0,0,0,0|2,0,1]=4 434 B8R0.1 CCCC(CCCBr)C 1P004CP0 [0,1,0,0,0,0|2,0,0]=3 435 B8R0.1 CCCC(CCCO)C 1P008LVT [0,1,0,0,0,0|1,0,0]=2 436 B8R0.1 CCCC(CCCS)O 1P01BRI8 [0,1,0,0,0,0|1,1,0]=3 437 B8R0.1 CCCCC(=CCO)C 1P028DVK [0,1,0,0,0,0|1,0,1]=3 438 B8R0.1 CCCCC(=O)CC=C 1P01EMHF [0,1,0,0,0,0|2,0,1]=4 439 B8R0.1 CCCCC(=O)COC 1P00F1CN [0,1,0,0,0,0|3,0,0]=4 440 B8R0.1 CCCCC(=O)OCCl 1P0057DB [0,1,0,0,0,0|3,0,0]=4 441 B8R0.1 CCCCC(CCC)Br 1P003VZU [0,1,0,0,0,0|2,0,0]=3 442 B8R0.1 CCCCC(CCC)N 1P019UGO [0,1,0,0,0,0|2,0,0]=3 443 B8R0.1 CCCCC(CCC)O 1P003MEF [0,1,0,0,0,0|2,0,0]=3 444 B8R0.1 CCCCC(CCO)C 1P007BT8 [0,1,0,0,0,0|1,0,0]=2 445 B8R0.1 CCCCC(COC)N 1P01AJYQ [0,1,0,0,0,0|3,0,0]=4 446 B8R0.1 CCCCN(CCN)C 1P00VWVQ [0,1,0,0,0,0|2,0,0]=3 447 B8R0.1 CCCCN(CCO)C 1P002XLB [0,1,0,0,0,0|1,0,0]=2 448 B8R0.1 CCCNC(=O)CCN 1P019WVF [0,1,0,0,0,0|3,0,0]=4 449 B8R0.1 CCCOC(=O)CCN 1P01ABXD [0,1,0,0,0,0|2,0,1]=4 450 B8R0.1 CCCOC(=O)OCC 1P007D6Q [0,1,0,0,0,0|2,0,1]=4 451 B8R0.1 CCNC[C@H](CCC)N 1P028M7C [0,1,0,0,0,0|3,0,0]=4 452 B8R0.1 CNCCN(CCO)C 1P01B6VI [0,1,0,0,0,0|2,0,0]=3 453 B8R0.1 COCC(=O)NCCO 1P00FD0D [0,1,0,0,0,0|2,0,1]=4 454 B8R0.1 COCCC(CCBr)C 1P01BL5A [0,1,0,0,0,0|3,0,0]=4 455 B8R0.1 COCCN(CCN)C 1P01AA5F [0,1,0,0,0,0|3,0,0]=4 456 B8R0.1 COCCN(CCO)C 1P00BFW6 [0,1,0,0,0,0|2,0,0]=3 457 B8R0.1 COCCS(=O)CCN 1P028UXH [0,1,0,0,0,0|2,1,0]=4 458 B8R0.1 CSCCC(CCO)N 1P02933J [0,1,0,0,0,0|2,0,0]=3 459 B8R0.1 ClCCCC(=CCO)C 1P028GIM [0,1,0,0,0,0|2,0,1]=4 460 B8R0.1 NCCN(CCCF)C 1P027YCD [0,1,0,0,0,0|3,0,0]=4 461 B8R0.1 OCCC(=O)CCC#C 1P001L00 [0,1,0,0,0,0|1,0,2]=4 462 B8R0.1 OCCCC(=O)OCC 1P003B8W [0,1,0,0,0,0|2,0,1]=4 463 B8R0.1 OCCC[C@H](CCO)C 1P0283YB [0,1,0,0,0,0|2,0,0]=3 464 B8R0.1 OCCN(CCCF)C 1P028FIT [0,1,0,0,0,0|2,0,0]=3 465 B8R0.1 OCCNC(=O)CCO 1P01DWXU [0,1,0,0,0,0|2,0,1]=4 466 B8R0.1 OCCNC(=O)CCS 1P01PPE7 [0,1,0,0,0,0|2,0,1]=4 467 B8R0.1 OCCNC(=O)NCC 1P002YKZ [0,1,0,0,0,0|2,0,1]=4 468 B8R0.1 OCCOC(=O)CCS 1P00DCES [0,1,0,0,0,0|1,0,1]=3 469 B8R0.4 BrCCCCCCC#C 1P004ZM3 [0,1,0,0,0,0|2,0,1]=4 470 B8R0.4 BrCCCCCCC#N 1P002KSX [0,1,0,0,0,0|2,0,1]=4 471 B8R0.4 BrCCCCCCC=C 1P003NYA [0,1,0,0,0,0|2,0,1]=4 472 B8R0.4 BrCCCCCCCBr 1P003E89 [0,1,0,0,0,0|2,0,0]=3 473 B8R0.4 BrCCCCCCOC 1P00DG5S [0,1,0,0,0,0|2,0,0]=3 474 B8R0.4 BrCCCOCCCBr 1P01BVG0 [0,1,0,0,0,0|2,0,0]=3 475 B8R0.4 BrCCCOCCOC 1P003IHM [0,1,0,0,0,0|1,0,0]=2 476 B8R0.4 BrCCCSCCOC 1P01BG2E [0,1,0,0,0,0|1,1,0]=3 477 B8R0.4 BrCCOCCOCC 1P003F89 [0,1,0,0,0,0|1,0,0]=2 478 B8R0.4 C=CCOCCCC=O 1P01EMOI [0,1,0,0,0,0|1,0,2]=4 479 B8R0.4 CCCC=CC=CCO 1P0069DV [0,1,0,0,0,0|1,0,2]=4 480 B8R0.4 CCCCC#CCCO 1P001LVX [0,1,0,0,0,0|1,0,0]=2 481 B8R0.4 CCCCCC#CCBr 1P007580 [0,1,0,0,0,0|2,0,1]=4 482 B8R0.4 CCCCCCCC=C 1P000LUB [0,1,0,0,0,0|2,0,0]=3 483 B8R0.4 CCCCCCCC=O 1P000LU9 [0,1,0,0,0,0|1,0,1]=3 484 B8R0.4 CCCCCCCCBr 1P00336Z [0,1,0,0,0,0|2,0,0]=3 485 B8R0.4 CCCCCCCCCl 1P003EPE [0,1,0,0,0,0|2,0,0]=3 486 B8R0.4 CCCCCCCCI 1P003EWJ [0,1,0,0,0,0|2,0,0]=3 487 B8R0.4 CCCCCCCCN 1P001HZR [0,1,0,0,0,0|2,0,0]=3 488 B8R0.4 CCCCCCCCN 1P001LEM [0,1,0,0,0,0|2,0,0]=3 489 B8R0.4 CCCCCCCCO 1P003P5M [0,1,0,0,0,0|1,0,0]=2 490 B8R0.4 CCCCCCCCS 1P003EX3 [0,1,0,0,0,0|1,1,0]=3 491 B8R0.4 CCCCCCCNC 1P003TIJ [0,1,0,0,0,0|2,0,0]=3 492 B8R0.4 CCCCCCN=C=O 1P003RDZ [0,1,0,0,0,0|1,0,2]=4 493 B8R0.4 CCCCCCN=C=S 1P003RE0 [0,1,0,0,0,0|1,1,1]=4 494 B8R0.4 CCCCCCN=[N+]=[N-] 1P00FH0M [0,1,0,0,0,0|3,0,0]=4 495 B8R0.4 CCCCCNCCO 1P00BYRV [0,1,0,0,0,0|1,0,0]=2 496 B8R0.4 CCCCC\C=C\CO 1P003VDB [0,1,0,0,0,0|1,0,1]=3 497 B8R0.4 CCCCN=CCCC 1P00E0N1 [0,1,0,0,0,0|2,0,0]=3 498 B8R0.4 CCCCNCCCC 1P003562 [0,1,0,0,0,0|2,0,0]=3 499 B8R0.4 CCCCNCCCC 1P00E99K [0,1,0,0,0,0|2,0,0]=3 500 B8R0.4 CCCCNCCCCl 1P004F15 [0,1,0,0,0,0|2,0,0]=3 501 B8R0.4 CCCCNCCCO 1P01A52K [0,1,0,0,0,0|1,0,0]=2 502 B8R0.4 CCCCNCCOC 1P01AHL4 [0,1,0,0,0,0|1,0,0]=2 503 B8R0.4 CCCCOCCC#N 1P003JMC [0,1,0,0,0,0|1,0,0]=2 504 B8R0.4 CCCCOCCCC 1P001HZQ [0,1,0,0,0,0|1,0,0]=2 505 B8R0.4 CCCCOCCCN 1P003K91 [0,1,0,0,0,0|1,0,0]=2 506 B8R0.4 CCCCOCCCO 1P000783 [0,1,0,0,0,0|0,0,0]=1 507 B8R0.4 CCCCOCCOC 1P0036EG [0,1,0,0,0,0|0,0,0]=1 508 B8R0.4 CCCCOCN=[N+]=[N-] 1P027V0K [0,1,0,0,0,0|2,0,0]=3 509 B8R0.4 CCCCSCCCC 1P003TBM [0,1,0,0,0,0|1,1,0]=3 510 B8R0.4 CCCC[NH2+]CCCC 1P007IFF [0,1,0,0,0,0|2,0,0]=3 511 B8R0.4 CCCC[Sn+2]CCCC 1P008T5T [0,1,0,0,0,0|2,0,0]=3 512 B8R0.4 CCCC[Sn+2]CCCC 1P00IKX3 [0,1,0,0,0,0|2,0,0]=3 513 B8R0.4 CCCC\C=C/CCO 1P002DRC [0,1,0,0,0,0|1,0,0]=2 514 B8R0.4 CCCNCCCCN 1P01FNZC [0,1,0,0,0,0|2,0,0]=3 515 B8R0.4 CCCSSSCCC 1P003E1S [0,1,0,0,0,0|2,1,0]=4 516 B8R0.4 CCC\C=C\C=C\CO 1P00AQC5 [0,1,0,0,0,0|1,0,2]=4 517 B8R0.4 CCC\C=C\CCCN 1P028XTX [0,1,0,0,0,0|2,0,1]=4 518 B8R0.4 CCOCCOCC=O 1P01B6Z8 [0,1,0,0,0,0|0,0,2]=3 519 B8R0.4 CNCCCCCC=C 1P01AKOY [0,1,0,0,0,0|2,0,1]=4 520 B8R0.4 CNCCOCCNC 1P002SP6 [0,1,0,0,0,0|2,0,0]=3 521 B8R0.4 CNCCOCCOC 1P01BC86 [0,1,0,0,0,0|1,0,0]=2 522 B8R0.4 COCCCCCC=O 1P02890L [0,1,0,0,0,0|1,0,2]=4 523 B8R0.4 COCCCCCOC 1P003E72 [0,1,0,0,0,0|2,0,0]=3 524 B8R0.4 COCCCNCCO 1P00D4HR [0,1,0,0,0,0|1,0,0]=2 525 B8R0.4 COCCCOCCO 1P01BDIQ [0,1,0,0,0,0|0,0,0]=1 526 B8R0.4 COCCNCCC#C 1P01B7ML [0,1,0,0,0,0|1,0,2]=4 527 B8R0.4 COCCNCCC#N 1P01AB4W [0,1,0,0,0,0|2,0,1]=4 528 B8R0.4 COCCNCCC=C 1P00HIKQ [0,1,0,0,0,0|1,0,2]=4 529 B8R0.4 COCCNCCOC 1P0034ZM [0,1,0,0,0,0|2,0,0]=3 530 B8R0.4 COCCOCCC#N 1P00D2QM [0,1,0,0,0,0|1,0,1]=3 531 B8R0.4 COCCOCCC=O 1P01HYLB [0,1,0,0,0,0|1,0,1]=3 532 B8R0.4 COCCOCCOC 1P0033UC [0,1,0,0,0,0|1,0,0]=2 533 B8R0.4 COCCOCCOC 1P003AZ3 [0,1,0,0,0,0|1,0,0]=2 534 B8R0.4 COCCOCCON 1P00IA4O [0,1,0,0,0,0|1,0,0]=2 535 B8R0.4 COCCOCN=[N+]=[N-] 1P01CAU0 [0,1,0,0,0,0|3,0,0]=4 536 B8R0.4 COCOCOCOC 1P0080WX [0,1,0,0,0,0|3,0,0]=4 537 B8R0.4 CSCCCCCC#N 1P028JJN [0,1,0,0,0,0|2,0,1]=4 538 B8R0.4 ClCCCCCCC=C 1P004O1H [0,1,0,0,0,0|2,0,1]=4 539 B8R0.4 ClCCCCCCCBr 1P003EM2 [0,1,0,0,0,0|2,0,0]=3 540 B8R0.4 ClCCCOCCCCl 1P00ED6U [0,1,0,0,0,0|2,0,0]=3 541 B8R0.4 ClCCOCCOCC 1P00CS9G [0,1,0,0,0,0|1,0,0]=2 542 B8R0.4 ICCCCCCC=C 1P00I83S [0,1,0,0,0,0|2,0,1]=4 543 B8R0.4 N#CCCOCCC#N 1P001WPH [0,1,0,0,0,0|2,0,1]=4 544 B8R0.4 NCCCCCCC#C 1P01JO4D [0,1,0,0,0,0|2,0,1]=4 545 B8R0.4 NCCCCCCC#C 1P023ORH [0,1,0,0,0,0|2,0,1]=4 546 B8R0.4 NCCCCCCC=C 1P0056W4 [0,1,0,0,0,0|2,0,1]=4 547 B8R0.4 NCCCCCCCBr 1P008WR1 [0,1,0,0,0,0|2,0,0]=3 548 B8R0.4 NCCCCCCCN 1P003E88 [0,1,0,0,0,0|2,0,0]=3 549 B8R0.4 NCCCCCCCO 1P002GEY [0,1,0,0,0,0|1,0,0]=2 550 B8R0.4 NCCCCCCCO 1P01EMT5 [0,1,0,0,0,0|1,0,0]=2 551 B8R0.4 NCCCCCCNC 1P01B6R0 [0,1,0,0,0,0|2,0,0]=3 552 B8R0.4 NCCCCCCNC 1P01B6SE [0,1,0,0,0,0|2,0,0]=3 553 B8R0.4 NCCCCCCOC 1P028LVG [0,1,0,0,0,0|2,0,0]=3 554 B8R0.4 NCCCCCCON 1P028HJY [0,1,0,0,0,0|2,0,0]=3 555 B8R0.4 NCCCCCCSC 1P01A6UG [0,1,0,0,0,0|2,0,0]=3 556 B8R0.4 NCCCCCNCC 1P01BD8K [0,1,0,0,0,0|2,0,0]=3 557 B8R0.4 NCCCCSCCO 1P027XQH [0,1,0,0,0,0|0,1,0]=2 558 B8R0.4 NCCCNCCCO 1P0074HH [0,1,0,0,0,0|2,0,0]=3 559 B8R0.4 NCCCNCCOC 1P00AN7E [0,1,0,0,0,0|2,0,0]=3 560 B8R0.4 NCCCOCCCN 1P003OPV [0,1,0,0,0,0|2,0,0]=3 561 B8R0.4 NCCCOCCCO 1P01XD54 [0,1,0,0,0,0|1,0,0]=2 562 B8R0.4 NCCCOCCCO 1P028M3M [0,1,0,0,0,0|1,0,0]=2 563 B8R0.4 NCCCOCCOC 1P00IA5Z [0,1,0,0,0,0|1,0,0]=2 564 B8R0.4 NCCNCCCCO 1P024HFT [0,1,0,0,0,0|2,0,0]=3 565 B8R0.4 NCCOCCCC#C 1P02806D [0,1,0,0,0,0|1,0,1]=3 566 B8R0.4 NCCOCCCC=C 1P01FIJR [0,1,0,0,0,0|1,0,1]=3 567 B8R0.4 NCCOCCNCC 1P01C3E7 [0,1,0,0,0,0|1,0,0]=2 568 B8R0.4 NCCOCCOCC 1P01C7TZ [0,1,0,0,0,0|1,0,0]=2 569 B8R0.4 NOCCOCCON 1P019ETH [0,1,0,0,0,0|2,0,0]=3 570 B8R0.4 NOCCOCCON 1P0283H2 [0,1,0,0,0,0|2,0,0]=3 571 B8R0.4 O=CCCCOCC#C 1P028941 [0,1,0,0,0,0|1,0,2]=4 572 B8R0.4 OCC=CCCCC=C 1P002O6V [0,1,0,0,0,0|1,0,2]=4 573 B8R0.4 OCCCCCCC#C 1P003NXJ [0,1,0,0,0,0|1,0,1]=3 574 B8R0.4 OCCCCCCC=C 1P00105O [0,1,0,0,0,0|1,0,1]=3 575 B8R0.4 OCCCCCCCBr 1P0005EJ [0,1,0,0,0,0|1,0,0]=2 576 B8R0.4 OCCCCCCCCl 1P00DC01 [0,1,0,0,0,0|1,0,0]=2 577 B8R0.4 OCCCCCCCO 1P003E8D [0,1,0,0,0,0|1,0,0]=2 578 B8R0.4 OCCCCCCNC 1P00DDES [0,1,0,0,0,0|1,0,0]=2 579 B8R0.4 OCCCCCCOC 1P01I4LG [0,1,0,0,0,0|1,0,0]=2 580 B8R0.4 OCCCCCN=[N+]=[N-] 1P0079EN [0,1,0,0,0,0|3,0,0]=4 581 B8R0.4 OCCCCOCC#C 1P01JC2R [0,1,0,0,0,0|1,0,1]=3 582 B8R0.4 OCCCCOCC=C 1P001F2D [0,1,0,0,0,0|1,0,1]=3 583 B8R0.4 OCCCCOCCO 1P028NM2 [0,1,0,0,0,0|0,0,0]=1 584 B8R0.4 OCCCC\C=C/CC 1P003PG7 [0,1,0,0,0,0|1,0,1]=3 585 B8R0.4 OCCCNCCCO 1P003A4U [0,1,0,0,0,0|2,0,0]=3 586 B8R0.4 OCCCOCCCCl 1P01KH03 [0,1,0,0,0,0|1,0,0]=2 587 B8R0.4 OCCCOCCCO 1P006Y7B [0,1,0,0,0,0|1,0,0]=2 588 B8R0.4 OCCCOCCNC 1P027UEX [0,1,0,0,0,0|1,0,0]=2 589 B8R0.4 OCCCOCCOC 1P01BDVD [0,1,0,0,0,0|1,0,0]=2 590 B8R0.4 OCCCSCCCO 1P003IUN [0,1,0,0,0,0|1,1,0]=3 591 B8R0.4 OCCOCCCC#C 1P028QY4 [0,1,0,0,0,0|0,0,1]=2 592 B8R0.4 OCCOCCNCC 1P01B93M [0,1,0,0,0,0|0,0,0]=1 593 B8R0.4 OCCOCCOC=C 1P003PRA [0,1,0,0,0,0|0,0,2]=3 594 B8R0.4 OCCOCCOCC 1P003579 [0,1,0,0,0,0|0,0,0]=1 595 B8R0.4 OCCSCSCCO 1P00I8XP [0,1,0,0,0,0|1,1,0]=3 596 B8R0.4 SCCCCCCOC 1P028W2T [0,1,0,0,0,0|1,1,0]=3 597 B8R0.4 SCCOCCOCC 1P004DG5 [0,1,0,0,0,0|0,1,0]=2 598 B8R0.4 [N-]=[N+]=NCCOCCN 1P00DJHP [0,1,0,0,0,0|3,0,0]=4 599 B8R0.4 [N-]=[N+]=NCCOCCN 1P01ELG8 [0,1,0,0,0,0|3,0,0]=4 600 B8R0.4 [N-]=[N+]=NCCOCCO 1P001ARR [0,1,0,0,0,0|2,0,0]=3 601 B8R0.6 CCC#CCC(CC)O 1P003NEK [0,1,0,0,0,0|2,0,1]=4 602 B8R0.6 CCCCCC(=O)CBr 1P001UJM [0,1,0,0,0,0|2,0,1]=4 603 B8R0.6 CCCCCC(=O)CC 1P003KB3 [0,1,0,0,0,0|2,0,1]=4 604 B8R0.6 CCCCCC(=O)NO 1P00702Y [0,1,0,0,0,0|2,0,1]=4 605 B8R0.6 CCCCCC(C#C)O 1P003F1P [0,1,0,0,0,0|2,0,1]=4 606 B8R0.6 CCCCCC(C=C)O 1P003F1M [0,1,0,0,0,0|2,0,1]=4 607 B8R0.6 CCCCCC(CC)C 1P003482 [0,1,0,0,0,0|2,0,0]=3 608 B8R0.6 CCCCCC(CC)O 1P003TXD [0,1,0,0,0,0|2,0,0]=3 609 B8R0.6 CCCCCC(CN)O 1P01DWXB [0,1,0,0,0,0|2,0,0]=3 610 B8R0.6 CCCCCC(CO)O 1P003DVY [0,1,0,0,0,0|1,0,0]=2 611 B8R0.6 CCCCC[C@@H](C=C)O 1P002P4E [0,1,0,0,0,0|2,0,1]=4 612 B8R0.6 CCCCC[C@H](CC)O 1P003CY0 [0,1,0,0,0,0|2,0,0]=3 613 B8R0.6 CCCCNC(=O)CC 1P002Z7K [0,1,0,0,0,0|2,0,1]=4 614 B8R0.6 CCCCNC(=O)CCl 1P00D9U4 [0,1,0,0,0,0|2,0,1]=4 615 B8R0.6 CCCCNC(CC)C 1P00DADH [0,1,0,0,0,0|2,0,0]=3 616 B8R0.6 CCCCOC(=O)C=C 1P001G67 [0,1,0,0,0,0|1,0,2]=4 617 B8R0.6 CCCCOC(=O)CCl 1P003P26 [0,1,0,0,0,0|1,0,1]=3 618 B8R0.6 CCCCOC(=O)CN 1P009B7X [0,1,0,0,0,0|1,0,1]=3 619 B8R0.6 CCCCOC(=O)CO 1P003P2L [0,1,0,0,0,0|0,0,1]=2 620 B8R0.6 CCCCOC(=O)CS 1P0002J7 [0,1,0,0,0,0|0,1,1]=3 621 B8R0.6 CCCCOC(=O)OC 1P00E0M4 [0,1,0,0,0,0|2,0,1]=4 622 B8R0.6 CCCNCC(CO)O 1P005L6O [0,1,0,0,0,0|2,0,0]=3 623 B8R0.6 CNC(=O)COCCN 1P01A587 [0,1,0,0,0,0|2,0,1]=4 624 B8R0.6 CNCCCC(CO)O 1P0289MP [0,1,0,0,0,0|2,0,0]=3 625 B8R0.6 COC(=O)COCCCl 1P004VX6 [0,1,0,0,0,0|2,0,1]=4 626 B8R0.6 COC(=O)COCCN 1P01AGKQ [0,1,0,0,0,0|2,0,1]=4 627 B8R0.6 COC(=O)CSCCO 1P01EMTX [0,1,0,0,0,0|1,1,1]=4 628 B8R0.6 COCCCC(CBr)C 1P01BL58 [0,1,0,0,0,0|3,0,0]=4 629 B8R0.6 COCCOC(=O)CS 1P002BLH [0,1,0,0,0,0|1,1,1]=4 630 B8R0.6 ClCCOCC(=O)CCl 1P0284ID [0,1,0,0,0,0|2,0,1]=4 631 B8R0.6 NCCCC[C@@H](CO)N 1P00HAQW [0,1,0,0,0,0|2,0,0]=3 632 B8R0.6 NCCNCC(CO)O 1P01GKK8 [0,1,0,0,0,0|3,0,0]=4 633 B8R0.6 OC(CO)COCC=C 1P000KE2 [0,1,0,0,0,0|2,0,1]=4 634 B8R0.6 OCCCCC(=O)OC 1P006XZT [0,1,0,0,0,0|2,0,1]=4 635 B8R0.6 OCCCCC(CC)C 1P00FBJV [0,1,0,0,0,0|1,0,0]=2 636 B8R0.6 OCCCCC(CO)O 1P003DS7 [0,1,0,0,0,0|2,0,0]=3 637 B8R0.6 OCCNCC(CO)O 1P01R4MC [0,1,0,0,0,0|2,0,0]=3 638 B8R0.6 OCCOCC(=NO)N 1P027UK4 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.6 OCCOCC(CO)C 1P028JBU [0,1,0,0,0,0|1,0,0]=2 640 B8R0.6 OCCOCC(CO)O 1P001EHA [0,1,0,0,0,0|1,0,0]=2 641 B8R0.6 O[C@H](CO)COCC=C 1P00E6NQ [0,1,0,0,0,0|2,0,1]=4 642 B8R0.7 BrCCCCCB(O)O 1P003CEG [0,1,0,0,0,0|3,0,0]=4 643 B8R0.7 BrCCCCCC(=O)C 1P01AV5V [0,1,0,0,0,0|2,0,1]=4 644 B8R0.7 BrCCCCCC(=O)O 1P003NLF [0,1,0,0,0,0|2,0,1]=4 645 B8R0.7 BrCCCCCC(C)C 1P00DA1U [0,1,0,0,0,0|2,0,0]=3 646 B8R0.7 BrCCCCCC(F)F 1P01BLB3 [0,1,0,0,0,0|3,0,0]=4 647 B8R0.7 BrCCCCOC(C)C 1P01BL4K [0,1,0,0,0,0|3,0,0]=4 648 B8R0.7 BrCCNCCC(C)C 1P01BCZM [0,1,0,0,0,0|2,0,0]=3 649 B8R0.7 BrCCOCCC(=O)C 1P01FIMW [0,1,0,0,0,0|1,0,1]=3 650 B8R0.7 BrCCOCCC(=O)O 1P00HVZX [0,1,0,0,0,0|2,0,1]=4 651 B8R0.7 BrCCOCCC(C)C 1P028O1M [0,1,0,0,0,0|1,0,0]=2 652 B8R0.7 C#CCOCCN(C)C 1P01EN5H [0,1,0,0,0,0|2,0,1]=4 653 B8R0.7 C=CCCCCC(N)C 1P01A4YD [0,1,0,0,0,0|2,0,1]=4 654 B8R0.7 C=CCCOCC(=O)O 1P019Y59 [0,1,0,0,0,0|0,0,3]=4 655 B8R0.7 CCCCC#CC(=O)O 1P001G2G [0,1,0,0,0,0|1,0,2]=4 656 B8R0.7 CCCCC=CC(=O)O 1P002ENX [0,1,0,0,0,0|1,0,2]=4 657 B8R0.7 CCCCCCB(O)O 1P001UKM [0,1,0,0,0,0|2,0,0]=3 658 B8R0.7 CCCCCCC(=N)N 1P028G7P [0,1,0,0,0,0|2,0,1]=4 659 B8R0.7 CCCCCCC(=O)C 1P003IAB [0,1,0,0,0,0|1,0,2]=4 660 B8R0.7 CCCCCCC(=O)Cl 1P003QE1 [0,1,0,0,0,0|1,0,2]=4 661 B8R0.7 CCCCCCC(=O)N 1P0037KH [0,1,0,0,0,0|1,0,2]=4 662 B8R0.7 CCCCCCC(=O)O 1P003RBO [0,1,0,0,0,0|1,0,1]=3 663 B8R0.7 CCCCCCC(=O)[O-] 1P0002NY [0,1,0,0,0,0|1,0,2]=4 664 B8R0.7 CCCCCCC(Br)C 1P00IAED [0,1,0,0,0,0|2,0,0]=3 665 B8R0.7 CCCCCCC(C)C 1P003I6O [0,1,0,0,0,0|2,0,0]=3 666 B8R0.7 CCCCCCC(N)C 1P003H0D [0,1,0,0,0,0|2,0,0]=3 667 B8R0.7 CCCCCCC(O)C 1P000KE8 [0,1,0,0,0,0|1,0,0]=2 668 B8R0.7 CCCCCCN(=O)=O 1P003F13 [0,1,0,0,0,0|2,0,1]=4 669 B8R0.7 CCCCCC[C@@H](O)C 1P003CXP [0,1,0,0,0,0|1,0,0]=2 670 B8R0.7 CCCCCC[C@H](N)C 1P003CPO [0,1,0,0,0,0|2,0,0]=3 671 B8R0.7 CCCCCC[C@H](O)C 1P003CSG [0,1,0,0,0,0|1,0,0]=2 672 B8R0.7 CCCCCNC(C)C 1P019MGM [0,1,0,0,0,0|3,0,0]=4 673 B8R0.7 CCCCNCC(=O)N 1P019NIT [0,1,0,0,0,0|1,0,2]=4 674 B8R0.7 CCCCNCC(=O)O 1P00J7X7 [0,1,0,0,0,0|1,0,1]=3 675 B8R0.7 CCCCOCC(=O)Cl 1P028I2X [0,1,0,0,0,0|0,0,2]=3 676 B8R0.7 CCCCOCC(=O)O 1P002R5S [0,1,0,0,0,0|0,0,1]=2 677 B8R0.7 CCCCSCC(=O)O 1P002AX9 [0,1,0,0,0,0|0,1,1]=3 678 B8R0.7 CCCC\C=C\B(O)O 1P00C1EK [0,1,0,0,0,0|2,0,1]=4 679 B8R0.7 CCCNCCC(=O)O 1P01ELYG [0,1,0,0,0,0|2,0,1]=4 680 B8R0.7 CCCNCCN(C)C 1P019YF3 [0,1,0,0,0,0|3,0,0]=4 681 B8R0.7 CCCNCCN(C)C 1P01AKUW [0,1,0,0,0,0|3,0,0]=4 682 B8R0.7 CCCOCCC(=O)O 1P002BD9 [0,1,0,0,0,0|2,0,1]=4 683 B8R0.7 CCCSCCC(N)C 1P028R0F [0,1,0,0,0,0|1,1,0]=3 684 B8R0.7 CCNCCCC(=O)O 1P002K4U [0,1,0,0,0,0|2,0,1]=4 685 B8R0.7 CCOCCCC(=O)O 1P019NUT [0,1,0,0,0,0|2,0,1]=4 686 B8R0.7 CNCCCCC(=O)O 1P01DX5C [0,1,0,0,0,0|2,0,1]=4 687 B8R0.7 CNCCCCC(C)C 1P02887S [0,1,0,0,0,0|3,0,0]=4 688 B8R0.7 COCCCCC(=O)O 1P006CGN [0,1,0,0,0,0|2,0,1]=4 689 B8R0.7 COCCNCC(=O)O 1P019TZB [0,1,0,0,0,0|2,0,1]=4 690 B8R0.7 COCCNCC(=O)O 1P01AIYV [0,1,0,0,0,0|2,0,1]=4 691 B8R0.7 COCCNCC(C)C 1P019MEX [0,1,0,0,0,0|3,0,0]=4 692 B8R0.7 COCCNCC(F)F 1P01A9PP [0,1,0,0,0,0|3,0,0]=4 693 B8R0.7 COCCOCC(=O)C 1P0089H1 [0,1,0,0,0,0|1,0,2]=4 694 B8R0.7 COCCOCC(=O)Cl 1P001S9J [0,1,0,0,0,0|1,0,2]=4 695 B8R0.7 COCCOCC(=O)O 1P001S9I [0,1,0,0,0,0|1,0,1]=3 696 B8R0.7 COCCOCC(N)C 1P019Q8H [0,1,0,0,0,0|2,0,0]=3 697 B8R0.7 COCCOCC(O)C 1P01ACP9 [0,1,0,0,0,0|1,0,0]=2 698 B8R0.7 COCCSCC(=O)O 1P019MH3 [0,1,0,0,0,0|1,1,1]=4 699 B8R0.7 CSCCCCC(=O)O 1P005LP5 [0,1,0,0,0,0|2,0,1]=4 700 B8R0.7 CSCCNCC(=O)O 1P01B5S2 [0,1,0,0,0,0|2,0,1]=4 701 B8R0.7 CSCCOCC(=O)O 1P028X17 [0,1,0,0,0,0|1,0,1]=3 702 B8R0.7 ClCCCCCC(=O)O 1P0034TE [0,1,0,0,0,0|2,0,1]=4 703 B8R0.7 ClCCCSCC(C)C 1P01A2M3 [0,1,0,0,0,0|2,1,0]=4 704 B8R0.7 ClCCOCCC(C)C 1P019WRV [0,1,0,0,0,0|1,0,0]=2 705 B8R0.7 ClCCOCCN(C)C 1P01A1J4 [0,1,0,0,0,0|2,0,0]=3 706 B8R0.7 FCCCCCC(=O)O 1P00CWI0 [0,1,0,0,0,0|2,0,1]=4 707 B8R0.7 FCCCOCC(=O)O 1P028I6M [0,1,0,0,0,0|1,0,1]=3 708 B8R0.7 ICCCCCC(=O)O 1P01I3B5 [0,1,0,0,0,0|2,0,1]=4 709 B8R0.7 N#CCCOCC(C)C 1P00EL6R [0,1,0,0,0,0|2,0,1]=4 710 B8R0.7 N#CCCOCC(F)F 1P01B20P [0,1,0,0,0,0|2,0,1]=4 711 B8R0.7 NCCCCCC(=O)C 1P00IKV4 [0,1,0,0,0,0|2,0,1]=4 712 B8R0.7 NCCCCCC(=O)O 1P0034SA [0,1,0,0,0,0|2,0,1]=4 713 B8R0.7 NCCCCCC(=O)O 1P00D9C9 [0,1,0,0,0,0|2,0,1]=4 714 B8R0.7 NCCCCCN(C)C 1P00399W [0,1,0,0,0,0|3,0,0]=4 715 B8R0.7 NCCCCCN(C)C 1P01K0OP [0,1,0,0,0,0|3,0,0]=4 716 B8R0.7 NCCCCOC(C)C 1P01A6SR [0,1,0,0,0,0|3,0,0]=4 717 B8R0.7 NCCCOCC(=O)O 1P01FIX4 [0,1,0,0,0,0|1,0,1]=3 718 B8R0.7 NCCCOCC(C)C 1P007IVA [0,1,0,0,0,0|2,0,0]=3 719 B8R0.7 NCCCOCC(F)F 1P01A0F6 [0,1,0,0,0,0|2,0,0]=3 720 B8R0.7 NCCCOCC(F)F 1P01AEOU [0,1,0,0,0,0|2,0,0]=3 721 B8R0.7 NCCCSCC(C)C 1P01A2TD [0,1,0,0,0,0|2,1,0]=4 722 B8R0.7 NCCNCCN(C)C 1P00CD6L [0,1,0,0,0,0|3,0,0]=4 723 B8R0.7 NCCOCCC(=O)O 1P00HXT3 [0,1,0,0,0,0|2,0,1]=4 724 B8R0.7 NCCOCCC(=O)O 1P01ELVI [0,1,0,0,0,0|2,0,1]=4 725 B8R0.7 NCCOCCC(C)C 1P019WWM [0,1,0,0,0,0|1,0,0]=2 726 B8R0.7 NCCOCCN(C)C 1P004PP1 [0,1,0,0,0,0|2,0,0]=3 727 B8R0.7 NCCOCCN(C)C 1P01XCTG [0,1,0,0,0,0|2,0,0]=3 728 B8R0.7 O=C(O)COCCC#C 1P01K8OJ [0,1,0,0,0,0|0,0,3]=4 729 B8R0.7 O=CCCOCC(F)F 1P01BYDZ [0,1,0,0,0,0|2,0,1]=4 730 B8R0.7 OCCCCCC(=O)N 1P01DN53 [0,1,0,0,0,0|2,0,1]=4 731 B8R0.7 OCCCCCC(=O)O 1P000INE [0,1,0,0,0,0|2,0,1]=4 732 B8R0.7 OCCCCCC(=O)[O-] 1P0036KW [0,1,0,0,0,0|2,0,1]=4 733 B8R0.7 OCCCCCC(C)C 1P001WJ4 [0,1,0,0,0,0|1,0,0]=2 734 B8R0.7 OCCCCCC(F)F 1P028DB4 [0,1,0,0,0,0|2,0,0]=3 735 B8R0.7 OCCCCCC(N)C 1P028GG0 [0,1,0,0,0,0|1,0,0]=2 736 B8R0.7 OCCCCCN(C)C 1P019SWY [0,1,0,0,0,0|2,0,0]=3 737 B8R0.7 OCCCCNC(C)C 1P0034A6 [0,1,0,0,0,0|2,0,0]=3 738 B8R0.7 OCCCOCC(C)C 1P019SRP [0,1,0,0,0,0|2,0,0]=3 739 B8R0.7 OCCCOCC(F)F 1P01BHJC [0,1,0,0,0,0|2,0,0]=3 740 B8R0.7 OCCC\C=C\C(C)C 1P028X40 [0,1,0,0,0,0|1,0,2]=4 741 B8R0.7 OCCNCCC(=O)O 1P00DHB0 [0,1,0,0,0,0|2,0,1]=4 742 B8R0.7 OCCNCCC(C)C 1P00CZDR [0,1,0,0,0,0|1,0,0]=2 743 B8R0.7 OCCNCCN(C)C 1P00CN97 [0,1,0,0,0,0|2,0,0]=3 744 B8R0.7 OCCOCCC(=O)O 1P00IG2B [0,1,0,0,0,0|1,0,1]=3 745 B8R0.7 OCCOCCC(C)C 1P005Z5A [0,1,0,0,0,0|0,0,0]=1 746 B8R0.7 OCCOCCN(C)C 1P003GP7 [0,1,0,0,0,0|1,0,0]=2 747 B8R0.7 SCCCCCC(=O)O 1P0025EW [0,1,0,0,0,0|2,0,1]=4 748 B8R0.7 SCCNCCN(C)C 1P028RIT [0,1,0,0,0,0|2,1,0]=4 749 B8R0.7 SCCOCCC(=O)O 1P01FGCI [0,1,0,0,0,0|1,1,1]=4 750 B8R0.7 [O-]CCCCCC(=O)O 1P00DYY3 [0,1,0,0,0,0|2,0,1]=4 751 B8R1.2 BrCC1=CCCCC1 1P0078UE [0,0,0,1,0,0|2,0,1]=4 752 B8R1.2 BrCC1=CCCOC1 1P0283TN [0,0,0,1,0,0|2,0,1]=4 753 B8R1.2 BrCC1CCCC=C1 1P00CRYY [0,0,0,1,0,0|2,0,1]=4 754 B8R1.2 BrCC1CCCCC1 1P00354F [0,0,0,1,0,0|2,0,0]=3 755 B8R1.2 BrCC1CCCCN1 1P00CI75 [0,0,0,1,0,0|2,0,0]=3 756 B8R1.2 BrCC1CCCCO1 1P0033BV [0,0,0,1,0,0|1,0,0]=2 757 B8R1.2 BrCC1CCCNC1 1P00A5ZV [0,0,0,1,0,0|3,0,0]=4 758 B8R1.2 BrCC1CCCNC1 1P01EIR6 [0,0,0,1,0,0|3,0,0]=4 759 B8R1.2 BrCC1CCCOC1 1P000C6A [0,0,0,1,0,0|2,0,0]=3 760 B8R1.2 BrCC1CCNCC1 1P000HSG [0,0,0,1,0,0|3,0,0]=4 761 B8R1.2 BrCC1CCNCC1 1P003LGY [0,0,0,1,0,0|3,0,0]=4 762 B8R1.2 BrCC1CCOCC1 1P000OAG [0,0,0,1,0,0|3,0,0]=4 763 B8R1.2 BrCC1CCOCO1 1P01A6KM [0,0,0,1,0,0|2,0,0]=3 764 B8R1.2 BrCC1CNCCO1 1P01BAJH [0,0,0,1,0,0|2,0,0]=3 765 B8R1.2 BrCC1COCC=C1 1P027Y3P [0,0,0,1,0,0|2,0,1]=4 766 B8R1.2 BrCC1COCCO1 1P009EMH [0,0,0,1,0,0|1,0,0]=2 767 B8R1.2 BrCC1COCOC1 1P01AGRW [0,0,0,1,0,0|3,0,0]=4 768 B8R1.2 BrCC1CSCCO1 1P028320 [0,0,0,1,0,0|1,1,0]=3 769 B8R1.2 BrC[C@@H]1COCCO1 1P0280IS [0,0,0,1,0,0|1,0,0]=2 770 B8R1.2 BrC[C@H]1COCCO1 1P028ZPT [0,0,0,1,0,0|1,0,0]=2 771 B8R1.2 C#CC1CCCCC1 1P0039O6 [0,0,0,1,0,0|2,0,1]=4 772 B8R1.2 C#CC1CCCCN1 1P0018E9 [0,0,0,1,0,0|2,0,1]=4 773 B8R1.2 C#CC1CCCCO1 1P005S8X [0,0,0,1,0,0|1,0,1]=3 774 B8R1.2 C#CC1CCCOC1 1P000RGR [0,0,0,1,0,0|1,0,2]=4 775 B8R1.2 C1NCCOC1C#C 1P021XJU [0,0,0,1,0,0|1,0,2]=4 776 B8R1.2 C1NCCOC1C#N 1P007QB5 [0,0,0,1,0,0|2,0,1]=4 777 B8R1.2 C1NCCO[C@@H]1C#N 1P019GTW [0,0,0,1,0,0|2,0,1]=4 778 B8R1.2 C1OCCNC1C#C 1P01AVDI [0,0,0,1,0,0|1,0,2]=4 779 B8R1.2 C1OCCNC1C#N 1P00IKD3 [0,0,0,1,0,0|2,0,1]=4 780 B8R1.2 C1OCCOC1C#C 1P0280X4 [0,0,0,1,0,0|0,0,2]=3 781 B8R1.2 C1OCCOC1C#N 1P007YD3 [0,0,0,1,0,0|1,0,1]=3 782 B8R1.2 C1OCCOC1C=O 1P00DBI3 [0,0,0,1,0,0|1,0,1]=3 783 B8R1.2 C1SCCOC1C#N 1P019Z6R [0,0,0,1,0,0|1,1,1]=4 784 B8R1.2 C=CC1CCCCN1 1P01BFPL [0,0,0,1,0,0|2,0,1]=4 785 B8R1.2 C=CC1CCCCO1 1P01IADQ [0,0,0,1,0,0|1,0,1]=3 786 B8R1.2 C=CC1COCCN1 1P028GIR [0,0,0,1,0,0|1,0,2]=4 787 B8R1.2 C=CC1OCCNC1 1P028WLI [0,0,0,1,0,0|1,0,2]=4 788 B8R1.2 CCC1CCCCN1 1P001LDC [0,0,0,1,0,0|2,0,0]=3 789 B8R1.2 CCC1CCCCN1 1P00B0BE [0,0,0,1,0,0|2,0,0]=3 790 B8R1.2 CCC1CCCNC1 1P007NIX [0,0,0,1,0,0|2,0,0]=3 791 B8R1.2 CCC1CCCNC1 1P00EKRW [0,0,0,1,0,0|2,0,0]=3 792 B8R1.2 CCC1CCNCC1 1P00AQ66 [0,0,0,1,0,0|3,0,0]=4 793 B8R1.2 CCC1CCNCC1 1P00CNG8 [0,0,0,1,0,0|3,0,0]=4 794 B8R1.2 CCC1CNCCN1 1P001BUL [0,0,0,1,0,0|2,0,0]=3 795 B8R1.2 CCC1CNCCO1 1P0017BT [0,0,0,1,0,0|1,0,0]=2 796 B8R1.2 CCC1CNCCO1 1P00DIER [0,0,0,1,0,0|1,0,0]=2 797 B8R1.2 CCC1CNCCS1 1P019SZM [0,0,0,1,0,0|1,1,0]=3 798 B8R1.2 CCC1COCCN1 1P00D8HN [0,0,0,1,0,0|1,0,0]=2 799 B8R1.2 CCC1COCCN1 1P00J3GU [0,0,0,1,0,0|1,0,0]=2 800 B8R1.2 CCC1NCCNC1 1P00DHE1 [0,0,0,1,0,0|2,0,0]=3 801 B8R1.2 CC[C@@H]1CCCCN1 1P001O2S [0,0,0,1,0,0|2,0,0]=3 802 B8R1.2 CC[C@@H]1CNCCO1 1P000WDH [0,0,0,1,0,0|1,0,0]=2 803 B8R1.2 CC[C@@H]1CNCCO1 1P021Y53 [0,0,0,1,0,0|1,0,0]=2 804 B8R1.2 CC[C@@H]1COCCN1 1P008Q70 [0,0,0,1,0,0|1,0,0]=2 805 B8R1.2 CC[C@@H]1COCCN1 1P00BG2L [0,0,0,1,0,0|1,0,0]=2 806 B8R1.2 CC[C@@H]1NCCNC1 1P000YK6 [0,0,0,1,0,0|2,0,0]=3 807 B8R1.2 CC[C@H]1CCCCN1 1P00DIG0 [0,0,0,1,0,0|2,0,0]=3 808 B8R1.2 CC[C@H]1CNCCN1 1P002JEE [0,0,0,1,0,0|2,0,0]=3 809 B8R1.2 CC[C@H]1CNCCO1 1P005B76 [0,0,0,1,0,0|1,0,0]=2 810 B8R1.2 CC[C@H]1CNCCO1 1P009DMT [0,0,0,1,0,0|1,0,0]=2 811 B8R1.2 CC[C@H]1COCCN1 1P003AKY [0,0,0,1,0,0|1,0,0]=2 812 B8R1.2 CC[C@H]1COCCN1 1P005TEE [0,0,0,1,0,0|1,0,0]=2 813 B8R1.2 CC[C@H]1NCCNC1 1P00DBNX [0,0,0,1,0,0|2,0,0]=3 814 B8R1.2 CNC1CCCCC1 1P0000NU [0,0,0,1,0,0|3,0,0]=4 815 B8R1.2 CNC1CCCNC1 1P000XCZ [0,0,0,1,0,0|3,0,0]=4 816 B8R1.2 CNC1CCCOC1 1P008Y8Z [0,0,0,1,0,0|2,0,0]=3 817 B8R1.2 CNC1CCCSC1 1P01BF9O [0,0,0,1,0,0|2,1,0]=4 818 B8R1.2 CN[C@H]1CCCNC1 1P01BSG2 [0,0,0,1,0,0|3,0,0]=4 819 B8R1.2 CN[C@H]1CCCOC1 1P024TSU [0,0,0,1,0,0|2,0,0]=3 820 B8R1.2 COC1=NCCOC1 1P01BGK0 [0,0,0,1,0,0|2,0,1]=4 821 B8R1.2 COC1CCCCC1 1P00GUBS [0,0,0,1,0,0|3,0,0]=4 822 B8R1.2 COC1CCCCO1 1P00FDP9 [0,0,0,1,0,0|2,0,0]=3 823 B8R1.2 COC1CCCNC1 1P005O4S [0,0,0,1,0,0|3,0,0]=4 824 B8R1.2 COC1CCCNC1 1P00BZQJ [0,0,0,1,0,0|3,0,0]=4 825 B8R1.2 COC1CNCCO1 1P01A0KA [0,0,0,1,0,0|2,0,0]=3 826 B8R1.2 CO[C@@H]1CCCNC1 1P00EKEM [0,0,0,1,0,0|3,0,0]=4 827 B8R1.2 CO[C@@H]1CCCNC1 1P00G2DX [0,0,0,1,0,0|3,0,0]=4 828 B8R1.2 CO[C@H]1CCCNC1 1P003APS [0,0,0,1,0,0|3,0,0]=4 829 B8R1.2 ClCC1CCCCC1 1P007WYS [0,0,0,1,0,0|2,0,0]=3 830 B8R1.2 ClCC1CCCCN1 1P00BKCI [0,0,0,1,0,0|2,0,0]=3 831 B8R1.2 ClCC1CCCCO1 1P003FHE [0,0,0,1,0,0|1,0,0]=2 832 B8R1.2 ClCC1CCCNC1 1P00CRQE [0,0,0,1,0,0|3,0,0]=4 833 B8R1.2 ClCC1CCCOC1 1P00JBA5 [0,0,0,1,0,0|2,0,0]=3 834 B8R1.2 ClCC1CCNCC1 1P0023XX [0,0,0,1,0,0|3,0,0]=4 835 B8R1.2 ClCC1CCOCC1 1P00H3XZ [0,0,0,1,0,0|3,0,0]=4 836 B8R1.2 ClCC1CCOCO1 1P0083RW [0,0,0,1,0,0|2,0,0]=3 837 B8R1.2 ClCC1CNCCO1 1P001JB2 [0,0,0,1,0,0|2,0,0]=3 838 B8R1.2 ClCC1COCCO1 1P002L9H [0,0,0,1,0,0|1,0,0]=2 839 B8R1.2 FCC1CCCCN1 1P01DL5T [0,0,0,1,0,0|2,0,0]=3 840 B8R1.2 FCC1CCCNC1 1P000M2L [0,0,0,1,0,0|3,0,0]=4 841 B8R1.2 FCC1CCNCC1 1P00GJ0K [0,0,0,1,0,0|3,0,0]=4 842 B8R1.2 FCC1CNCCO1 1P01C3AA [0,0,0,1,0,0|2,0,0]=3 843 B8R1.2 FCC1COCCN1 1P028V7X [0,0,0,1,0,0|2,0,0]=3 844 B8R1.2 FCC1NCCNC1 1P01K472 [0,0,0,1,0,0|3,0,0]=4 845 B8R1.2 FC[C@@H]1CCCCN1 1P00IFPX [0,0,0,1,0,0|2,0,0]=3 846 B8R1.2 FC[C@H]1CCCNC1 1P0203O9 [0,0,0,1,0,0|3,0,0]=4 847 B8R1.2 ICC1CCCCC1 1P003CI2 [0,0,0,1,0,0|2,0,0]=3 848 B8R1.2 ICC1CCCCO1 1P00DA30 [0,0,0,1,0,0|1,0,0]=2 849 B8R1.2 ICC1CCCOC1 1P01JWH5 [0,0,0,1,0,0|2,0,0]=3 850 B8R1.2 ICC1CCNCC1 1P028POX [0,0,0,1,0,0|3,0,0]=4 851 B8R1.2 ICC1CCOCC1 1P0005P9 [0,0,0,1,0,0|3,0,0]=4 852 B8R1.2 ICC1CCOCO1 1P01AHVZ [0,0,0,1,0,0|2,0,0]=3 853 B8R1.2 ICC1COCCO1 1P00EGL4 [0,0,0,1,0,0|1,0,0]=2 854 B8R1.2 N#CC1CCCCC1 1P003544 [0,0,0,1,0,0|2,0,1]=4 855 B8R1.2 N#CC1CCCCN1 1P007R5I [0,0,0,1,0,0|2,0,1]=4 856 B8R1.2 N#CC1CCCCN1 1P00BYUO [0,0,0,1,0,0|2,0,1]=4 857 B8R1.2 N#CC1CCCCN1 1P00HYGT [0,0,0,1,0,0|2,0,1]=4 858 B8R1.2 N#CC1CCCCO1 1P00DBI4 [0,0,0,1,0,0|1,0,1]=3 859 B8R1.2 N#CC1CCCCS1 1P001EGV [0,0,0,1,0,0|1,1,1]=4 860 B8R1.2 N#CC1CCCOC1 1P00GUC9 [0,0,0,1,0,0|2,0,1]=4 861 B8R1.2 N#C[C@@H]1CCCCN1 1P002J63 [0,0,0,1,0,0|2,0,1]=4 862 B8R1.2 N#C[C@@H]1CCCCN1 1P00ILFM [0,0,0,1,0,0|2,0,1]=4 863 B8R1.2 N#C[C@H]1CCCCN1 1P00HXCB [0,0,0,1,0,0|2,0,1]=4 864 B8R1.2 N#C[C@H]1CCCCN1 1P00ILMP [0,0,0,1,0,0|2,0,1]=4 865 B8R1.2 NCC1=CCCCC1 1P00C92O [0,0,0,1,0,0|2,0,1]=4 866 B8R1.2 NCC1=CCCCC1 1P00J228 [0,0,0,1,0,0|2,0,1]=4 867 B8R1.2 NCC1=CCCOC1 1P01BBSO [0,0,0,1,0,0|2,0,1]=4 868 B8R1.2 NCC1=COCCO1 1P019RF6 [0,0,0,1,0,0|1,0,2]=4 869 B8R1.2 NCC1CC=CCO1 1P01FIGJ [0,0,0,1,0,0|1,0,2]=4 870 B8R1.2 NCC1CCC=CO1 1P00DCZJ [0,0,0,1,0,0|1,0,2]=4 871 B8R1.2 NCC1CCCC=C1 1P028O93 [0,0,0,1,0,0|2,0,1]=4 872 B8R1.2 NCC1CCCCC1 1P003CG2 [0,0,0,1,0,0|2,0,0]=3 873 B8R1.2 NCC1CCCCN1 1P002M9W [0,0,0,1,0,0|2,0,0]=3 874 B8R1.2 NCC1CCCCO1 1P0033BQ [0,0,0,1,0,0|1,0,0]=2 875 B8R1.2 NCC1CCCCO1 1P00FGLN [0,0,0,1,0,0|1,0,0]=2 876 B8R1.2 NCC1CCCCS1 1P019U3S [0,0,0,1,0,0|1,1,0]=3 877 B8R1.2 NCC1CCCNC1 1P002MNW [0,0,0,1,0,0|3,0,0]=4 878 B8R1.2 NCC1CCCNC1 1P00FVLQ [0,0,0,1,0,0|3,0,0]=4 879 B8R1.2 NCC1CCCOC1 1P000HO9 [0,0,0,1,0,0|2,0,0]=3 880 B8R1.2 NCC1CCCOC1 1P0062RG [0,0,0,1,0,0|2,0,0]=3 881 B8R1.2 NCC1CCCOC1 1P00J3GL [0,0,0,1,0,0|2,0,0]=3 882 B8R1.2 NCC1CCCSC1 1P01BBV3 [0,0,0,1,0,0|2,1,0]=4 883 B8R1.2 NCC1CCNCC1 1P003KMI [0,0,0,1,0,0|3,0,0]=4 884 B8R1.2 NCC1CCOCC1 1P000UPI [0,0,0,1,0,0|3,0,0]=4 885 B8R1.2 NCC1CCOCC1 1P00BY18 [0,0,0,1,0,0|3,0,0]=4 886 B8R1.2 NCC1CCOCO1 1P01A0ZY [0,0,0,1,0,0|2,0,0]=3 887 B8R1.2 NCC1CCSCC1 1P00G1XZ [0,0,0,1,0,0|3,0,0]=4 888 B8R1.2 NCC1CCSCC1 1P00IJ61 [0,0,0,1,0,0|3,0,0]=4 889 B8R1.2 NCC1CNCCO1 1P000C7R [0,0,0,1,0,0|2,0,0]=3 890 B8R1.2 NCC1COCC=C1 1P027V96 [0,0,0,1,0,0|2,0,1]=4 891 B8R1.2 NCC1COCCO1 1P0039MC [0,0,0,1,0,0|1,0,0]=2 892 B8R1.2 NCC1COCCO1 1P004AP2 [0,0,0,1,0,0|1,0,0]=2 893 B8R1.2 NCC1CSCCN1 1P01A4OI [0,0,0,1,0,0|2,1,0]=4 894 B8R1.2 NCC1CSCCO1 1P028L2G [0,0,0,1,0,0|1,1,0]=3 895 B8R1.2 NCC1CSCCS1 1P019ZA4 [0,0,0,1,0,0|1,2,0]=4 896 B8R1.2 NCC1NCCOC1 1P01AG27 [0,0,0,1,0,0|2,0,0]=3 897 B8R1.2 NCC1OCCCO1 1P01B1RR [0,0,0,1,0,0|2,0,0]=3 898 B8R1.2 NC[C@@H]1CCCCN1 1P01BRNE [0,0,0,1,0,0|2,0,0]=3 899 B8R1.2 NC[C@@H]1CCCCO1 1P021V98 [0,0,0,1,0,0|1,0,0]=2 900 B8R1.2 NC[C@@H]1CCCNC1 1P001ZWF [0,0,0,1,0,0|3,0,0]=4 901 B8R1.2 NC[C@@H]1CCCOC1 1P002DFE [0,0,0,1,0,0|2,0,0]=3 902 B8R1.2 NC[C@@H]1COCCO1 1P00AO1N [0,0,0,1,0,0|1,0,0]=2 903 B8R1.2 NC[C@@H]1COCCO1 1P00AO1O [0,0,0,1,0,0|1,0,0]=2 904 B8R1.2 NC[C@H]1CCCCN1 1P01BS4J [0,0,0,1,0,0|2,0,0]=3 905 B8R1.2 NC[C@H]1CCCCO1 1P021V99 [0,0,0,1,0,0|1,0,0]=2 906 B8R1.2 NC[C@H]1CCCNC1 1P01BRX3 [0,0,0,1,0,0|3,0,0]=4 907 B8R1.2 NC[C@H]1COCCO1 1P0036HS [0,0,0,1,0,0|1,0,0]=2 908 B8R1.2 NC[C@H]1COCCO1 1P009KGT [0,0,0,1,0,0|1,0,0]=2 909 B8R1.2 NNC1CCCCC1 1P003265 [0,0,0,1,0,0|3,0,0]=4 910 B8R1.2 NNC1CCCCC1 1P00II6E [0,0,0,1,0,0|3,0,0]=4 911 B8R1.2 NNC1CCCOC1 1P01AGEP [0,0,0,1,0,0|3,0,0]=4 912 B8R1.2 NOC1CCCCC1 1P01ADDC [0,0,0,1,0,0|3,0,0]=4 913 B8R1.2 NOC1CCCCO1 1P0035WE [0,0,0,1,0,0|2,0,0]=3 914 B8R1.2 O=CC1CCCCC1 1P0029VG [0,0,0,1,0,0|1,0,2]=4 915 B8R1.2 O=CC1CCCCN1 1P008UYW [0,0,0,1,0,0|1,0,2]=4 916 B8R1.2 O=CC1CCCCO1 1P00ABVI [0,0,0,1,0,0|0,0,2]=3 917 B8R1.2 O=CC1CCCOC1 1P0054FG [0,0,0,1,0,0|2,0,1]=4 918 B8R1.2 OCC1=CCCCO1 1P005ZEI [0,0,0,1,0,0|0,0,2]=3 919 B8R1.2 OCC1=CCCOC1 1P001FMA [0,0,0,1,0,0|2,0,1]=4 920 B8R1.2 OCC1=CCNCC1 1P0276LS [0,0,0,1,0,0|2,0,1]=4 921 B8R1.2 OCC1=CCOCC1 1P01E81T [0,0,0,1,0,0|2,0,1]=4 922 B8R1.2 OCC1=COCCO1 1P01AB75 [0,0,0,1,0,0|1,0,2]=4 923 B8R1.2 OCC1=NOCCC1 1P01BJIP [0,0,0,1,0,0|2,0,1]=4 924 B8R1.2 OCC1CC=CCN1 1P02846F [0,0,0,1,0,0|1,0,2]=4 925 B8R1.2 OCC1CC=CCN1 1P028I3U [0,0,0,1,0,0|1,0,2]=4 926 B8R1.2 OCC1CC=CCO1 1P001N1T [0,0,0,1,0,0|0,0,2]=3 927 B8R1.2 OCC1CCC=CC1 1P003JTB [0,0,0,1,0,0|1,0,2]=4 928 B8R1.2 OCC1CCC=CO1 1P003IY3 [0,0,0,1,0,0|0,0,2]=3 929 B8R1.2 OCC1CCCC=C1 1P00CSSZ [0,0,0,1,0,0|1,0,1]=3 930 B8R1.2 OCC1CCCCC1 1P0000MU [0,0,0,1,0,0|1,0,0]=2 931 B8R1.2 OCC1CCCCN1 1P003FJE [0,0,0,1,0,0|1,0,0]=2 932 B8R1.2 OCC1CCCCO1 1P0000NI [0,0,0,1,0,0|0,0,0]=1 933 B8R1.2 OCC1CCCCS1 1P01A0BY [0,0,0,1,0,0|0,1,0]=2 934 B8R1.2 OCC1CCCNC1 1P003KCQ [0,0,0,1,0,0|2,0,0]=3 935 B8R1.2 OCC1CCCNC1 1P00CMLR [0,0,0,1,0,0|2,0,0]=3 936 B8R1.2 OCC1CCCOC1 1P001FM9 [0,0,0,1,0,0|2,0,0]=3 937 B8R1.2 OCC1CCCSC1 1P01BFSC [0,0,0,1,0,0|2,0,0]=3 938 B8R1.2 OCC1CCNCC1 1P003MGF [0,0,0,1,0,0|2,0,0]=3 939 B8R1.2 OCC1CCNCC1 1P00GTI9 [0,0,0,1,0,0|2,0,0]=3 940 B8R1.2 OCC1CCOCC1 1P001FM8 [0,0,0,1,0,0|2,0,0]=3 941 B8R1.2 OCC1CCSCC1 1P0001X1 [0,0,0,1,0,0|2,0,0]=3 942 B8R1.2 OCC1CNCCO1 1P001JB1 [0,0,0,1,0,0|1,0,0]=2 943 B8R1.2 OCC1CNCCO1 1P007YS1 [0,0,0,1,0,0|1,0,0]=2 944 B8R1.2 OCC1COCCN1 1P0038ZP [0,0,0,1,0,0|2,0,0]=3 945 B8R1.2 OCC1COCCN1 1P003K1A [0,0,0,1,0,0|2,0,0]=3 946 B8R1.2 OCC1COCCO1 1P0039AT [0,0,0,1,0,0|1,0,0]=2 947 B8R1.2 OCC1COCOC1 1P01UOT2 [0,0,0,1,0,0|3,0,0]=4 948 B8R1.2 OCC1CSCCN1 1P01A41H [0,0,0,1,0,0|2,0,0]=3 949 B8R1.2 OCC1CSCCO1 1P0293JC [0,0,0,1,0,0|1,0,0]=2 950 B8R1.2 OCC1NCCC=C1 1P01BJHP [0,0,0,1,0,0|1,0,2]=4 951 B8R1.2 OCC1NCCC=C1 1P0288KA [0,0,0,1,0,0|1,0,2]=4 952 B8R1.2 OCC1NCCNC1 1P0017KF [0,0,0,1,0,0|2,0,0]=3 953 B8R1.2 OCC1OCCCO1 1P01HM77 [0,0,0,1,0,0|1,0,0]=2 954 B8R1.2 OC[C@@H]1CCCCN1 1P00CJ76 [0,0,0,1,0,0|1,0,0]=2 955 B8R1.2 OC[C@@H]1CCCCN1 1P00DBSR [0,0,0,1,0,0|1,0,0]=2 956 B8R1.2 OC[C@@H]1CCCCO1 1P006WCQ [0,0,0,1,0,0|0,0,0]=1 957 B8R1.2 OC[C@@H]1CCCNC1 1P008ZLE [0,0,0,1,0,0|2,0,0]=3 958 B8R1.2 OC[C@@H]1CCCNC1 1P00I7W1 [0,0,0,1,0,0|2,0,0]=3 959 B8R1.2 OC[C@@H]1CCCOC1 1P003B3H [0,0,0,1,0,0|2,0,0]=3 960 B8R1.2 OC[C@@H]1CNCCO1 1P000WGD [0,0,0,1,0,0|1,0,0]=2 961 B8R1.2 OC[C@@H]1CNCCO1 1P0010LY [0,0,0,1,0,0|1,0,0]=2 962 B8R1.2 OC[C@@H]1COCCN1 1P002LLC [0,0,0,1,0,0|2,0,0]=3 963 B8R1.2 OC[C@@H]1COCCN1 1P0036A7 [0,0,0,1,0,0|2,0,0]=3 964 B8R1.2 OC[C@@H]1COCCO1 1P00CJBT [0,0,0,1,0,0|1,0,0]=2 965 B8R1.2 OC[C@@H]1COCCO1 1P024HHE [0,0,0,1,0,0|1,0,0]=2 966 B8R1.2 OC[C@@H]1NCCNC1 1P00166A [0,0,0,1,0,0|2,0,0]=3 967 B8R1.2 OC[C@H]1CCCCN1 1P0036A9 [0,0,0,1,0,0|1,0,0]=2 968 B8R1.2 OC[C@H]1CCCCO1 1P003B16 [0,0,0,1,0,0|0,0,0]=1 969 B8R1.2 OC[C@H]1CCCNC1 1P001K6H [0,0,0,1,0,0|2,0,0]=3 970 B8R1.2 OC[C@H]1CCCNC1 1P008UQY [0,0,0,1,0,0|2,0,0]=3 971 B8R1.2 OC[C@H]1CCCOC1 1P003AYS [0,0,0,1,0,0|2,0,0]=3 972 B8R1.2 OC[C@H]1CNCCN1 1P001MEZ [0,0,0,1,0,0|2,0,0]=3 973 B8R1.2 OC[C@H]1CNCCO1 1P001PJT [0,0,0,1,0,0|1,0,0]=2 974 B8R1.2 OC[C@H]1CNCCO1 1P00AKV7 [0,0,0,1,0,0|1,0,0]=2 975 B8R1.2 OC[C@H]1COCCN1 1P002LLB [0,0,0,1,0,0|2,0,0]=3 976 B8R1.2 OC[C@H]1COCCN1 1P0032Y2 [0,0,0,1,0,0|2,0,0]=3 977 B8R1.2 OC[C@H]1COCCO1 1P00CJBQ [0,0,0,1,0,0|1,0,0]=2 978 B8R1.2 OC[C@H]1NCCNC1 1P00ALBF [0,0,0,1,0,0|2,0,0]=3 979 B8R1.2 ON=C1CCCCC1 1P0000NQ [0,0,0,1,0,0|2,0,1]=4 980 B8R1.2 ONC1CCCCC1 1P003TDT [0,0,0,1,0,0|2,0,0]=3 981 B8R1.2 ONC1CCCCC1 1P003TDU [0,0,0,1,0,0|2,0,0]=3 982 B8R1.2 ONC1CCCNC1 1P028AW0 [0,0,0,1,0,0|3,0,0]=4 983 B8R1.2 SCC1=CCCCC1 1P028IEF [0,0,0,1,0,0|1,1,1]=4 984 B8R1.2 SCC1CCCC=C1 1P027TYN [0,0,0,1,0,0|1,1,1]=4 985 B8R1.2 SCC1CCCCC1 1P00BE4A [0,0,0,1,0,0|1,1,0]=3 986 B8R1.2 SCC1CCCCO1 1P028DAV [0,0,0,1,0,0|0,1,0]=2 987 B8R1.2 SCC1CCCOC1 1P01DW0U [0,0,0,1,0,0|2,0,0]=3 988 B8R1.2 SCC1CCNCC1 1P028CJ6 [0,0,0,1,0,0|2,1,0]=4 989 B8R1.2 SCC1CCOCC1 1P01DZ28 [0,0,0,1,0,0|2,1,0]=4 990 B8R1.2 SCC1COCCO1 1P028VFX [0,0,0,1,0,0|1,0,0]=2 991 B8R1.2 SC[C@@H]1CCCCN1 1P027XNU [0,0,0,1,0,0|1,1,0]=3 992 B8R1.2 SC[C@@H]1CCCNC1 1P0284L5 [0,0,0,1,0,0|2,1,0]=4 993 B8R1.2 SC[C@@H]1CNCCO1 1P0281AK [0,0,0,1,0,0|1,1,0]=3 994 B8R1.2 SC[C@H]1CCCNC1 1P0283WV [0,0,0,1,0,0|2,1,0]=4 995 B8R1.2 SC[C@H]1CNCCO1 1P0280O2 [0,0,0,1,0,0|1,1,0]=3 996 B8R1.2 [C-]#[N+]C1CCCCC1 1P00GS77 [0,0,0,1,0,0|3,0,0]=4 997 B8R1.5 BrC1CCCCC1Br 1P00D9HS [0,0,0,1,0,0|3,0,0]=4 998 B8R1.5 Br[C@@H]1CCCC[C@H]1Br 1P003VBN [0,0,0,1,0,0|3,0,0]=4 999 B8R1.5 CC1CCCCC1N 1P00ICGR [0,0,0,1,0,0|2,0,0]=3 1000 B8R1.5 CC1CCCCC1O 1P003BPW [0,0,0,1,0,0|1,0,0]=2 1001 B8R1.5 CC1CCNCC1N 1P028EG0 [0,0,0,1,0,0|2,0,0]=3 1002 B8R1.5 CC1CCNCC1O 1P00IJMD [0,0,0,1,0,0|1,0,0]=2 1003 B8R1.5 CC1CCOCC1N 1P027Y9Y [0,0,0,1,0,0|1,0,0]=2 1004 B8R1.5 CC1CNCCC1C 1P01A48L [0,0,0,1,0,0|2,0,0]=3 1005 B8R1.5 CC1CNCCC1O 1P0039XB [0,0,0,1,0,0|2,0,0]=3 1006 B8R1.5 CC1CNCCC1O 1P00CL8U [0,0,0,1,0,0|2,0,0]=3 1007 B8R1.5 CC1COCCC1N 1P000T5D [0,0,0,1,0,0|2,0,0]=3 1008 B8R1.5 CC1COCCC1N 1P01BEK6 [0,0,0,1,0,0|2,0,0]=3 1009 B8R1.5 CC1COCCC1O 1P00IG81 [0,0,0,1,0,0|2,0,0]=3 1010 B8R1.5 CC1NCCCC1C 1P00D9Q1 [0,0,0,1,0,0|3,0,0]=4 1011 B8R1.5 CC1NCCCC1C 1P01ALAD [0,0,0,1,0,0|3,0,0]=4 1012 B8R1.5 CN1CCNCC1C 1P002QRK [0,0,0,1,0,0|3,0,0]=4 1013 B8R1.5 CN1CCNCC1C 1P00FGFA [0,0,0,1,0,0|3,0,0]=4 1014 B8R1.5 CN1CCNC[C@@H]1C 1P00DK7H [0,0,0,1,0,0|3,0,0]=4 1015 B8R1.5 CN1CCNC[C@@H]1C 1P00DK7I [0,0,0,1,0,0|3,0,0]=4 1016 B8R1.5 CN1CCNC[C@H]1C 1P000GWS [0,0,0,1,0,0|3,0,0]=4 1017 B8R1.5 CN1CCNC[C@H]1C 1P00EIV3 [0,0,0,1,0,0|3,0,0]=4 1018 B8R1.5 C[C@@H]1CCCC[C@@H]1Br 1P0280EL [0,0,0,1,0,0|2,0,0]=3 1019 B8R1.5 C[C@@H]1CCCC[C@@H]1C 1P003PE1 [0,0,0,1,0,0|2,0,0]=3 1020 B8R1.5 C[C@@H]1CCCC[C@@H]1N 1P00G8MD [0,0,0,1,0,0|2,0,0]=3 1021 B8R1.5 C[C@@H]1CCCC[C@H]1N 1P00CLGH [0,0,0,1,0,0|2,0,0]=3 1022 B8R1.5 C[C@@H]1CCCC[C@H]1O 1P002F01 [0,0,0,1,0,0|1,0,0]=2 1023 B8R1.5 C[C@@H]1CCNC[C@@H]1F 1P027TOY [0,0,0,1,0,0|2,0,0]=3 1024 B8R1.5 C[C@@H]1CCNC[C@@H]1O 1P028977 [0,0,0,1,0,0|1,0,0]=2 1025 B8R1.5 C[C@@H]1CCNC[C@H]1F 1P00I7UE [0,0,0,1,0,0|2,0,0]=3 1026 B8R1.5 C[C@@H]1CCNC[C@H]1O 1P00CLGI [0,0,0,1,0,0|1,0,0]=2 1027 B8R1.5 C[C@@H]1CNCC[C@H]1O 1P00ILFP [0,0,0,1,0,0|2,0,0]=3 1028 B8R1.5 C[C@@H]1COCC[C@@H]1N 1P01KXHQ [0,0,0,1,0,0|2,0,0]=3 1029 B8R1.5 C[C@@H]1COCC[C@H]1N 1P001YEY [0,0,0,1,0,0|2,0,0]=3 1030 B8R1.5 C[C@H]1CCCC[C@@H]1O 1P001RPG [0,0,0,1,0,0|1,0,0]=2 1031 B8R1.5 C[C@H]1CCCC[C@H]1N 1P00GAEY [0,0,0,1,0,0|2,0,0]=3 1032 B8R1.5 C[C@H]1CCNC[C@H]1O 1P00IJM9 [0,0,0,1,0,0|1,0,0]=2 1033 B8R1.5 C[C@H]1NCCC[C@H]1C 1P01JUWG [0,0,0,1,0,0|3,0,0]=4 1034 B8R1.5 ClC1CCCCC1[NH3+] 1P01871V [0,0,0,1,0,0|3,0,0]=4 1035 B8R1.5 Cl[C@@H]1CCCC[C@@H]1Cl 1P008V5L [0,0,0,1,0,0|3,0,0]=4 1036 B8R1.5 FC1CCCCC1Br 1P003EJW [0,0,0,1,0,0|3,0,0]=4 1037 B8R1.5 FC1CCCNC1O 1P0280TI [0,0,0,1,0,0|3,0,0]=4 1038 B8R1.5 FC1COCCC1N 1P01FWPX [0,0,0,1,0,0|2,0,0]=3 1039 B8R1.5 F[C@@H]1CNCC[C@@H]1F 1P001HU1 [0,0,0,1,0,0|3,0,0]=4 1040 B8R1.5 F[C@@H]1CNCC[C@H]1F 1P001HTI [0,0,0,1,0,0|3,0,0]=4 1041 B8R1.5 NC1CCCCC1N 1P00366P [0,0,0,1,0,0|3,0,0]=4 1042 B8R1.5 NC1CCCCC1N 1P003DU2 [0,0,0,1,0,0|3,0,0]=4 1043 B8R1.5 NC1CCCCC1N 1P00DJNO [0,0,0,1,0,0|3,0,0]=4 1044 B8R1.5 NC1CCCCC1O 1P0033KU [0,0,0,1,0,0|2,0,0]=3 1045 B8R1.5 NC1CCCCC1O 1P00366A [0,0,0,1,0,0|2,0,0]=3 1046 B8R1.5 NC1CCOCC1O 1P01BXWX [0,0,0,1,0,0|1,0,0]=2 1047 B8R1.5 NC1CNCCC1F 1P01AVGO [0,0,0,1,0,0|3,0,0]=4 1048 B8R1.5 N[C@@H]1CCCC[C@@H]1Br 1P028KTR [0,0,0,1,0,0|3,0,0]=4 1049 B8R1.5 N[C@@H]1CCCC[C@@H]1F 1P01BRWQ [0,0,0,1,0,0|3,0,0]=4 1050 B8R1.5 N[C@@H]1CCCC[C@@H]1N 1P0001WD [0,0,0,1,0,0|3,0,0]=4 1051 B8R1.5 N[C@@H]1CCCC[C@@H]1N 1P006UPI [0,0,0,1,0,0|3,0,0]=4 1052 B8R1.5 N[C@@H]1CCCC[C@@H]1O 1P002D5P [0,0,0,1,0,0|2,0,0]=3 1053 B8R1.5 N[C@@H]1CCCC[C@H]1F 1P00ILMD [0,0,0,1,0,0|3,0,0]=4 1054 B8R1.5 N[C@@H]1CCCC[C@H]1N 1P0032S2 [0,0,0,1,0,0|3,0,0]=4 1055 B8R1.5 N[C@@H]1CCCC[C@H]1O 1P003BX8 [0,0,0,1,0,0|2,0,0]=3 1056 B8R1.5 N[C@@H]1CCCC[C@H]1O 1P00HTFX [0,0,0,1,0,0|2,0,0]=3 1057 B8R1.5 N[C@@H]1CCOC[C@@H]1F 1P00IL4K [0,0,0,1,0,0|2,0,0]=3 1058 B8R1.5 N[C@@H]1CCOC[C@@H]1O 1P00HYFL [0,0,0,1,0,0|1,0,0]=2 1059 B8R1.5 N[C@@H]1CCOC[C@H]1F 1P001IFZ [0,0,0,1,0,0|2,0,0]=3 1060 B8R1.5 N[C@@H]1CCOC[C@H]1F 1P002E8K [0,0,0,1,0,0|2,0,0]=3 1061 B8R1.5 N[C@@H]1CCOC[C@H]1O 1P001U4D [0,0,0,1,0,0|1,0,0]=2 1062 B8R1.5 N[C@@H]1CCOC[C@H]1O 1P00CGJ2 [0,0,0,1,0,0|1,0,0]=2 1063 B8R1.5 N[C@@H]1CNCC[C@H]1O 1P028WBU [0,0,0,1,0,0|3,0,0]=4 1064 B8R1.5 N[C@@H]1COCC[C@@H]1O 1P00HZI8 [0,0,0,1,0,0|2,0,0]=3 1065 B8R1.5 N[C@@H]1COCC[C@@H]1O 1P00J3QH [0,0,0,1,0,0|2,0,0]=3 1066 B8R1.5 N[C@@H]1COCC[C@H]1F 1P01JUHN [0,0,0,1,0,0|2,0,0]=3 1067 B8R1.5 N[C@@H]1COCC[C@H]1N 1P028GRH [0,0,0,1,0,0|2,0,0]=3 1068 B8R1.5 N[C@@H]1COCC[C@H]1O 1P001U7K [0,0,0,1,0,0|2,0,0]=3 1069 B8R1.5 N[C@@H]1COCC[C@H]1O 1P009G1D [0,0,0,1,0,0|2,0,0]=3 1070 B8R1.5 N[C@H]1CCCC[C@@H]1F 1P00ID2W [0,0,0,1,0,0|3,0,0]=4 1071 B8R1.5 N[C@H]1CCCC[C@@H]1N 1P003BZ9 [0,0,0,1,0,0|3,0,0]=4 1072 B8R1.5 N[C@H]1CCCC[C@@H]1N 1P00HCTA [0,0,0,1,0,0|3,0,0]=4 1073 B8R1.5 N[C@H]1CCCC[C@@H]1O 1P0032SF [0,0,0,1,0,0|2,0,0]=3 1074 B8R1.5 N[C@H]1CCCC[C@@H]1O 1P0080RA [0,0,0,1,0,0|2,0,0]=3 1075 B8R1.5 N[C@H]1CCCC[C@H]1F 1P01JV3B [0,0,0,1,0,0|3,0,0]=4 1076 B8R1.5 N[C@H]1CCCC[C@H]1O 1P002FAE [0,0,0,1,0,0|2,0,0]=3 1077 B8R1.5 N[C@H]1CCCC[C@H]1O 1P002RU6 [0,0,0,1,0,0|2,0,0]=3 1078 B8R1.5 N[C@H]1CCCC[C@H]1O 1P00GTML [0,0,0,1,0,0|2,0,0]=3 1079 B8R1.5 N[C@H]1CCCN[C@H]1C 1P0283LX [0,0,0,1,0,0|3,0,0]=4 1080 B8R1.5 N[C@H]1CCOC[C@@H]1F 1P001U52 [0,0,0,1,0,0|2,0,0]=3 1081 B8R1.5 N[C@H]1CCOC[C@@H]1O 1P00HC10 [0,0,0,1,0,0|1,0,0]=2 1082 B8R1.5 N[C@H]1CCOC[C@H]1F 1P00IL4J [0,0,0,1,0,0|2,0,0]=3 1083 B8R1.5 N[C@H]1CCOC[C@H]1O 1P00IL42 [0,0,0,1,0,0|1,0,0]=2 1084 B8R1.5 N[C@H]1COCC[C@@H]1O 1P000LWE [0,0,0,1,0,0|2,0,0]=3 1085 B8R1.5 N[C@H]1COCC[C@H]1O 1P01JUIB [0,0,0,1,0,0|2,0,0]=3 1086 B8R1.5 O=C1CCOCC1Br 1P003JLY [0,0,0,1,0,0|2,0,1]=4 1087 B8R1.5 O=C1CCOCC1C 1P000IPE [0,0,0,1,0,0|2,0,1]=4 1088 B8R1.5 O=C1CCOCC1Cl 1P001SDC [0,0,0,1,0,0|2,0,1]=4 1089 B8R1.5 O=C1CCOCC1F 1P00ED76 [0,0,0,1,0,0|2,0,1]=4 1090 B8R1.5 O=C1CCOCC1N 1P01BY05 [0,0,0,1,0,0|2,0,1]=4 1091 B8R1.5 O=C1COCCC1C 1P01A4DG [0,0,0,1,0,0|0,0,2]=3 1092 B8R1.5 O=C1COCCN1C 1P002JD6 [0,0,0,1,0,0|1,0,2]=4 1093 B8R1.5 OC1CCCCC1=C 1P00763L [0,0,0,1,0,0|1,0,2]=4 1094 B8R1.5 OC1CCCCC1=C 1P01IFTD [0,0,0,1,0,0|1,0,2]=4 1095 B8R1.5 OC1CCCCC1=O 1P00DKBV [0,0,0,1,0,0|2,0,1]=4 1096 B8R1.5 OC1CCCCC1Cl 1P001OZ4 [0,0,0,1,0,0|2,0,0]=3 1097 B8R1.5 OC1CCCCC1O 1P006IWB [0,0,0,1,0,0|2,0,0]=3 1098 B8R1.5 OC1CCCNC1C 1P01AUXS [0,0,0,1,0,0|2,0,0]=3 1099 B8R1.5 OC1CCNCC1F 1P01CA7X [0,0,0,1,0,0|3,0,0]=4 1100 B8R1.5 OC1CCOCC1F 1P001FYK [0,0,0,1,0,0|2,0,0]=3 1101 B8R1.5 O[C@@H]1CCCC[C@@H]1O 1P0027BT [0,0,0,1,0,0|2,0,0]=3 1102 B8R1.5 O[C@@H]1CCCC[C@H]1F 1P003VCX [0,0,0,1,0,0|2,0,0]=3 1103 B8R1.5 O[C@@H]1CCCC[C@H]1O 1P001E2C [0,0,0,1,0,0|2,0,0]=3 1104 B8R1.5 O[C@@H]1CCNC[C@@H]1F 1P001JTD [0,0,0,1,0,0|3,0,0]=4 1105 B8R1.5 O[C@@H]1CCOC[C@@H]1F 1P001IFY [0,0,0,1,0,0|2,0,0]=3 1106 B8R1.5 O[C@@H]1CNCC[C@H]1O 1P00DFQS [0,0,0,1,0,0|2,0,0]=3 1107 B8R1.5 O[C@@H]1CNNC[C@@H]1O 1P027UE5 [0,0,0,1,0,0|3,0,0]=4 1108 B8R1.5 O[C@@H]1COCC[C@H]1Br 1P01EN5L [0,0,0,1,0,0|1,0,0]=2 1109 B8R1.5 O[C@H]1CCCC[C@@H]1O 1P003C00 [0,0,0,1,0,0|2,0,0]=3 1110 B8R1.5 O[C@H]1CCNC[C@H]1F 1P00HYFP [0,0,0,1,0,0|3,0,0]=4 1111 B8R1.5 O[C@H]1CCNC[C@H]1F 1P00IJMS [0,0,0,1,0,0|3,0,0]=4 1112 B8R1.5 O[C@H]1CCOC[C@@H]1F 1P01JVET [0,0,0,1,0,0|2,0,0]=3 1113 B8R1.5 O[C@H]1CCOC[C@H]1F 1P00ILVL [0,0,0,1,0,0|2,0,0]=3 1114 B8R1.5 O[C@H]1CNCC[C@@H]1F 1P00IJMB [0,0,0,1,0,0|2,0,0]=3 1115 B8R1.5 O[C@H]1CNCC[C@H]1F 1P01JUHO [0,0,0,1,0,0|2,0,0]=3 1116 B8R1.5 O[C@H]1CNCC[C@H]1O 1P00DFKV [0,0,0,1,0,0|2,0,0]=3 1117 B8R1.5 O[C@H]1CSSC[C@@H]1O 1P001HVA [0,0,0,1,0,0|2,1,0]=4 1118 B8R1.8 BrCCC1CCCC1 1P002INC [0,0,0,1,0,0|2,0,0]=3 1119 B8R1.8 BrCCC1CCCN1 1P01C2MU [0,0,0,1,0,0|3,0,0]=4 1120 B8R1.8 BrCCC1CCCO1 1P01B1LN [0,0,0,1,0,0|2,0,0]=3 1121 B8R1.8 BrCCC1COCC1 1P009ECL [0,0,0,1,0,0|3,0,0]=4 1122 B8R1.8 BrCCC1OCCO1 1P0033B5 [0,0,0,1,0,0|1,0,0]=2 1123 B8R1.8 BrCCC1SCCS1 1P01B6OE [0,0,0,1,0,0|1,2,0]=4 1124 B8R1.8 BrCCN1CCCC1 1P005J5S [0,0,0,1,0,0|2,0,0]=3 1125 B8R1.8 C#CCN1CCCC1 1P00FH9L [0,0,0,1,0,0|2,0,1]=4 1126 B8R1.8 C#CCN1CCCC1 1P00IGAA [0,0,0,1,0,0|2,0,1]=4 1127 B8R1.8 C=CCC1CCCO1 1P028QA6 [0,0,0,1,0,0|1,0,2]=4 1128 B8R1.8 CCCC1=NCCN1 1P003IA8 [0,0,0,1,0,0|2,0,1]=4 1129 B8R1.8 CCCC1=NCCO1 1P003KYP [0,0,0,1,0,0|1,0,1]=3 1130 B8R1.8 CCCC1CCCN1 1P008W0R [0,0,0,1,0,0|2,0,0]=3 1131 B8R1.8 CCCC1CNCC1 1P000DDQ [0,0,0,1,0,0|3,0,0]=4 1132 B8R1.8 CCCC1NCCS1 1P01AJ74 [0,0,0,1,0,0|1,1,0]=3 1133 B8R1.8 CCCN1CCCC1 1P028HDD [0,0,0,1,0,0|2,0,0]=3 1134 B8R1.8 CCNC1CCCC1 1P009AIH [0,0,0,1,0,0|3,0,0]=4 1135 B8R1.8 CCNC1CCCC1 1P00DDL3 [0,0,0,1,0,0|3,0,0]=4 1136 B8R1.8 CNCC1CCCC1 1P0038B4 [0,0,0,1,0,0|3,0,0]=4 1137 B8R1.8 CNCC1CCCC1 1P00FHVW [0,0,0,1,0,0|3,0,0]=4 1138 B8R1.8 CNCC1CCCO1 1P00BF9Z [0,0,0,1,0,0|2,0,0]=3 1139 B8R1.8 CNCC1CCCS1 1P028XBK [0,0,0,1,0,0|2,1,0]=4 1140 B8R1.8 CNCC1OCCC1 1P01KZ6C [0,0,0,1,0,0|2,0,0]=3 1141 B8R1.8 CNC[C@@H]1CCCN1 1P00HC7R [0,0,0,1,0,0|3,0,0]=4 1142 B8R1.8 CNC[C@@H]1CCCN1 1P01KLT3 [0,0,0,1,0,0|3,0,0]=4 1143 B8R1.8 CNC[C@@H]1CCCO1 1P01ACR6 [0,0,0,1,0,0|2,0,0]=3 1144 B8R1.8 CNC[C@H]1CCCN1 1P00ICBY [0,0,0,1,0,0|3,0,0]=4 1145 B8R1.8 COCC1CCCN1 1P005S8H [0,0,0,1,0,0|3,0,0]=4 1146 B8R1.8 COCC1CCCN1 1P00ABF5 [0,0,0,1,0,0|3,0,0]=4 1147 B8R1.8 COC[C@@H]1CCCN1 1P003CWQ [0,0,0,1,0,0|3,0,0]=4 1148 B8R1.8 COC[C@@H]1CCCN1 1P00IJG4 [0,0,0,1,0,0|3,0,0]=4 1149 B8R1.8 COC[C@H]1CCCN1 1P003CJ7 [0,0,0,1,0,0|3,0,0]=4 1150 B8R1.8 COC[C@H]1CCCN1 1P009KFB [0,0,0,1,0,0|3,0,0]=4 1151 B8R1.8 CSCC1CCCN1 1P01A1NJ [0,0,0,1,0,0|3,0,0]=4 1152 B8R1.8 CSC[C@@H]1CCCN1 1P0285GO [0,0,0,1,0,0|3,0,0]=4 1153 B8R1.8 CSC[C@H]1CCCN1 1P0285HN [0,0,0,1,0,0|3,0,0]=4 1154 B8R1.8 ClCCC1CCCC1 1P004S0A [0,0,0,1,0,0|2,0,0]=3 1155 B8R1.8 ClCCC1CCCO1 1P01ALGS [0,0,0,1,0,0|2,0,0]=3 1156 B8R1.8 ClCCC1COCC1 1P01DVS4 [0,0,0,1,0,0|3,0,0]=4 1157 B8R1.8 ClCCN1CCCC1 1P003DAG [0,0,0,1,0,0|2,0,0]=3 1158 B8R1.8 ClCCN1CCCC1 1P00D8EJ [0,0,0,1,0,0|2,0,0]=3 1159 B8R1.8 ClCOC1CCCC1 1P01BBS7 [0,0,0,1,0,0|3,0,0]=4 1160 B8R1.8 FCCC1CNCC1 1P028FR2 [0,0,0,1,0,0|3,0,0]=4 1161 B8R1.8 FCCC1CNCC1 1P028ILN [0,0,0,1,0,0|3,0,0]=4 1162 B8R1.8 ICCC1CCCC1 1P01RJJX [0,0,0,1,0,0|2,0,0]=3 1163 B8R1.8 ICCC1OCCO1 1P01JMOE [0,0,0,1,0,0|1,0,0]=2 1164 B8R1.8 ICCN1CCCC1 1P01BWAS [0,0,0,1,0,0|2,0,0]=3 1165 B8R1.8 N#CCC1CCCC1 1P00EEC1 [0,0,0,1,0,0|2,0,1]=4 1166 B8R1.8 N#CCC1CCCO1 1P003FLJ [0,0,0,1,0,0|2,0,1]=4 1167 B8R1.8 N#CCC1OCCO1 1P002S7W [0,0,0,1,0,0|1,0,1]=3 1168 B8R1.8 N#CCN1CCCC1 1P002XWQ [0,0,0,1,0,0|2,0,1]=4 1169 B8R1.8 NCCC1=CCCC1 1P01A2TS [0,0,0,1,0,0|2,0,1]=4 1170 B8R1.8 NCCC1CCCC1 1P00ECJ1 [0,0,0,1,0,0|2,0,0]=3 1171 B8R1.8 NCCC1CCCC1 1P00FFSC [0,0,0,1,0,0|2,0,0]=3 1172 B8R1.8 NCCC1CCCN1 1P01B8X0 [0,0,0,1,0,0|3,0,0]=4 1173 B8R1.8 NCCC1CCCO1 1P00IKIT [0,0,0,1,0,0|2,0,0]=3 1174 B8R1.8 NCCC1CCCO1 1P01A9VX [0,0,0,1,0,0|2,0,0]=3 1175 B8R1.8 NCCC1CCCS1 1P01BS3A [0,0,0,1,0,0|2,1,0]=4 1176 B8R1.8 NCCC1COCC1 1P00G54P [0,0,0,1,0,0|3,0,0]=4 1177 B8R1.8 NCCC1COCC1 1P00ICAQ [0,0,0,1,0,0|3,0,0]=4 1178 B8R1.8 NCCC1OCCO1 1P003F7G [0,0,0,1,0,0|1,0,0]=2 1179 B8R1.8 NCCC1SCCS1 1P01B7A8 [0,0,0,1,0,0|1,2,0]=4 1180 B8R1.8 NCCN1CCCC1 1P0032YZ [0,0,0,1,0,0|2,0,0]=3 1181 B8R1.8 NCCN1CCCC1 1P00EB7N [0,0,0,1,0,0|2,0,0]=3 1182 B8R1.8 NCCN1CCCO1 1P028SFN [0,0,0,1,0,0|3,0,0]=4 1183 B8R1.8 NCC[C@H]1CCCO1 1P01E940 [0,0,0,1,0,0|2,0,0]=3 1184 B8R1.8 NNCC1CCCC1 1P019UY3 [0,0,0,1,0,0|3,0,0]=4 1185 B8R1.8 NNCC1CCCO1 1P0170AD [0,0,0,1,0,0|3,0,0]=4 1186 B8R1.8 NOCC1CCCC1 1P004KEF [0,0,0,1,0,0|3,0,0]=4 1187 B8R1.8 NOCC1CCCO1 1P027U2C [0,0,0,1,0,0|3,0,0]=4 1188 B8R1.8 O=CCC1CCCC1 1P00DFNH [0,0,0,1,0,0|1,0,2]=4 1189 B8R1.8 O=CCC1CCCO1 1P00C3IA [0,0,0,1,0,0|2,0,1]=4 1190 B8R1.8 O=CCC1OCCO1 1P006BIS [0,0,0,1,0,0|1,0,1]=3 1191 B8R1.8 O=CCN1CCCC1 1P01JMOY [0,0,0,1,0,0|1,0,2]=4 1192 B8R1.8 OCCC1CCC=C1 1P005JRE [0,0,0,1,0,0|1,0,2]=4 1193 B8R1.8 OCCC1CCCC1 1P003BOA [0,0,0,1,0,0|1,0,0]=2 1194 B8R1.8 OCCC1CCCN1 1P00172G [0,0,0,1,0,0|2,0,0]=3 1195 B8R1.8 OCCC1CCCN1 1P00ABNB [0,0,0,1,0,0|2,0,0]=3 1196 B8R1.8 OCCC1CCCO1 1P00CKW0 [0,0,0,1,0,0|2,0,0]=3 1197 B8R1.8 OCCC1CCCS1 1P02869V [0,0,0,1,0,0|2,0,0]=3 1198 B8R1.8 OCCC1CNCC1 1P006IRK [0,0,0,1,0,0|2,0,0]=3 1199 B8R1.8 OCCC1CNCC1 1P00FCZN [0,0,0,1,0,0|2,0,0]=3 1200 B8R1.8 OCCC1COCC1 1P009EEF [0,0,0,1,0,0|2,0,0]=3 1201 B8R1.8 OCCC1OCCO1 1P01E6KU [0,0,0,1,0,0|1,0,0]=2 1202 B8R1.8 OCCN1CCC=N1 1P003FB8 [0,0,0,1,0,0|2,0,1]=4 1203 B8R1.8 OCCN1CCCC1 1P002Z7F [0,0,0,1,0,0|1,0,0]=2 1204 B8R1.8 OCCN1COCC1 1P002DF3 [0,0,0,1,0,0|2,0,0]=3 1205 B8R1.8 OCC[C@@H]1CNCC1 1P01B5C4 [0,0,0,1,0,0|2,0,0]=3 1206 B8R1.8 OCC[C@H]1CCCN1 1P01JCWU [0,0,0,1,0,0|2,0,0]=3 1207 B8R1.8 OCC[C@H]1CNCC1 1P00HWSF [0,0,0,1,0,0|2,0,0]=3 1208 B8R1.8 SCCC1CCCC1 1P0289B7 [0,0,0,1,0,0|1,1,0]=3 1209 B8R1.8 SCCC1CCCO1 1P028WJL [0,0,0,1,0,0|2,0,0]=3 1210 B8R1.8 SCCC1COCC1 1P024UL3 [0,0,0,1,0,0|2,1,0]=4 1211 B8R1.8 SCCN1CCCC1 1P00CLYU [0,0,0,1,0,0|1,1,0]=3 1212 B8R1.8 SCCN1CSCC1 1P019E2P [0,0,0,1,0,0|2,1,0]=4 1213 B8R1.8 [C-]#[N+]CC1CCCO1 1P00DGDT [0,0,0,1,0,0|2,0,1]=4 1214 B8R1.9 CC1CC1CCCBr 1P028QW8 [0,0,0,1,0,0|2,0,0]=3 1215 B8R1.9 CC1CC1CCCS 1P028RZK [0,0,0,1,0,0|1,1,0]=3 1216 B8R1.9 CC1CC1NCCO 1P028EUP [0,0,0,1,0,0|1,0,0]=2 1217 B8R1.9 C[C@@H]1C[C@@H]1CCCO 1P028JEK [0,0,0,1,0,0|1,0,0]=2 1218 B8R1.9 C[C@@H]1C[C@H]1CCCN 1P028G7F [0,0,0,1,0,0|2,0,0]=3 1219 B8R1.9 C[C@@H]1C[C@H]1NCCO 1P0286XH [0,0,0,1,0,0|1,0,0]=2 1220 B8R1.10 BrCCCC1CCC1 1P01B6OU [0,0,0,1,0,0|2,0,0]=3 1221 B8R1.10 BrCCCN1CCC1 1P028R4I [0,0,0,1,0,0|3,0,0]=4 1222 B8R1.10 BrCCOC1CCC1 1P01BBOO [0,0,0,1,0,0|1,0,0]=2 1223 B8R1.10 BrCCOC1COC1 1P01DWO4 [0,0,0,1,0,0|2,0,0]=3 1224 B8R1.10 BrC\C=C\C1CCC1 1P01EMEL [0,0,0,1,0,0|2,0,1]=4 1225 B8R1.10 C#CCCC1CCC1 1P028QKF [0,0,0,1,0,0|2,0,1]=4 1226 B8R1.10 C#CCNC1CCC1 1P01DZ1P [0,0,0,1,0,0|2,0,1]=4 1227 B8R1.10 C#CCOC1CCC1 1P00PNPO [0,0,0,1,0,0|1,0,1]=3 1228 B8R1.10 C#CCOC1CNC1 1P01EN8N [0,0,0,1,0,0|2,0,1]=4 1229 B8R1.10 C#CCOC1COC1 1P01EN8U [0,0,0,1,0,0|2,0,1]=4 1230 B8R1.10 C(C1CCO1)CC=O 1P01C3TU [0,0,0,1,0,0|2,0,1]=4 1231 B8R1.10 C=CCOC1COC1 1P006JPD [0,0,0,1,0,0|2,0,1]=4 1232 B8R1.10 CCCOC1CNC1 1P00GUAB [0,0,0,1,0,0|2,0,0]=3 1233 B8R1.10 CCNCC1CCC1 1P01BHMF [0,0,0,1,0,0|3,0,0]=4 1234 B8R1.10 CNCCC1CCC1 1P00HV3S [0,0,0,1,0,0|3,0,0]=4 1235 B8R1.10 CNCCC1CCC1 1P027YB0 [0,0,0,1,0,0|3,0,0]=4 1236 B8R1.10 CNCCC1CCO1 1P0283MH [0,0,0,1,0,0|2,0,0]=3 1237 B8R1.10 COCOC1CNC1 1P028ITP [0,0,0,1,0,0|3,0,0]=4 1238 B8R1.10 ClCCOC1CCC1 1P01DVQJ [0,0,0,1,0,0|1,0,0]=2 1239 B8R1.10 FCCOC1CNC1 1P01B2JI [0,0,0,1,0,0|2,0,0]=3 1240 B8R1.10 N#CCOC1CCC1 1P01BSMM [0,0,0,1,0,0|1,0,1]=3 1241 B8R1.10 NCCCC1CCC1 1P01B6K4 [0,0,0,1,0,0|2,0,0]=3 1242 B8R1.10 NCCCC1CCC1 1P01B6K5 [0,0,0,1,0,0|2,0,0]=3 1243 B8R1.10 NCCCN1CCC1 1P00DLTH [0,0,0,1,0,0|3,0,0]=4 1244 B8R1.10 NCCOC1CCC1 1P019SW6 [0,0,0,1,0,0|1,0,0]=2 1245 B8R1.10 NCCOC1CCC1 1P01EIJB [0,0,0,1,0,0|1,0,0]=2 1246 B8R1.10 NCCOC1COC1 1P028V38 [0,0,0,1,0,0|2,0,0]=3 1247 B8R1.10 O=CCCC1CCC1 1P01BWRW [0,0,0,1,0,0|1,0,2]=4 1248 B8R1.10 OCCCC1CCC1 1P00BFWH [0,0,0,1,0,0|1,0,0]=2 1249 B8R1.10 OCCCC1COC1 1P002RA7 [0,0,0,1,0,0|2,0,0]=3 1250 B8R1.10 OCCCN1CCC1 1P00GUQW [0,0,0,1,0,0|2,0,0]=3 1251 B8R1.10 OCCNC1CCC1 1P01AG0X [0,0,0,1,0,0|1,0,0]=2 1252 B8R1.10 OCCNC1COC1 1P01A51F [0,0,0,1,0,0|2,0,0]=3 1253 B8R1.10 OCCOC1CCC1 1P00KCOC [0,0,0,1,0,0|0,0,0]=1 1254 B8R1.10 OCCOC1CNC1 1P01C4NM [0,0,0,1,0,0|1,0,0]=2 1255 B8R1.10 OCCOC1COC1 1P01DW8A [0,0,0,1,0,0|1,0,0]=2 1256 B8R1.10 SCCCC1CCC1 1P0288T8 [0,0,0,1,0,0|1,1,0]=3 1257 B8R1.10 SCCOC1CNC1 1P028ZRR [0,0,0,1,0,0|1,1,0]=3 1258 B8R1.11 BrC[C@@H]1CCCN1C 1P0291QH [0,0,0,1,0,0|3,0,0]=4 1259 B8R1.11 BrC[C@H]1CCCN1C 1P0291SD [0,0,0,1,0,0|3,0,0]=4 1260 B8R1.11 C#CC1CCCC1O 1P0033RL [0,0,0,1,0,0|1,0,2]=4 1261 B8R1.11 C=CC1COCC1N 1P028B1Q [0,0,0,1,0,0|1,0,2]=4 1262 B8R1.11 C=C[C@@H]1CCC[C@H]1O 1P0290KZ [0,0,0,1,0,0|1,0,2]=4 1263 B8R1.11 CC1NCCC1CO 1P01B26Q [0,0,0,1,0,0|2,0,0]=3 1264 B8R1.11 CC1OCCC1CBr 1P01B9LM [0,0,0,1,0,0|3,0,0]=4 1265 B8R1.11 CC1OCCC1CN 1P028ZV3 [0,0,0,1,0,0|3,0,0]=4 1266 B8R1.11 CCC1CCCC1=O 1P00DBGE [0,0,0,1,0,0|1,0,2]=4 1267 B8R1.11 CCC1CCCC1N 1P019ZZ8 [0,0,0,1,0,0|2,0,0]=3 1268 B8R1.11 CCC1CCNC1C 1P01AFW4 [0,0,0,1,0,0|3,0,0]=4 1269 B8R1.11 CCC1CNCC1O 1P01A3NT [0,0,0,1,0,0|1,0,0]=2 1270 B8R1.11 CCC1COCC1=O 1P01B601 [0,0,0,1,0,0|0,0,2]=3 1271 B8R1.11 CCC1COCC1N 1P01B6KU [0,0,0,1,0,0|1,0,0]=2 1272 B8R1.11 CCC1NCCC1C 1P01AFTA [0,0,0,1,0,0|2,0,0]=3 1273 B8R1.11 CC[C@@H]1CCCC1=O 1P01BUQW [0,0,0,1,0,0|1,0,2]=4 1274 B8R1.11 CC[C@@H]1CCC[C@H]1N 1P01DTR8 [0,0,0,1,0,0|2,0,0]=3 1275 B8R1.11 CC[C@@H]1CNC[C@@H]1F 1P027UW4 [0,0,0,1,0,0|2,0,0]=3 1276 B8R1.11 CC[C@@H]1NCC[C@@H]1O 1P028AJJ [0,0,0,1,0,0|2,0,0]=3 1277 B8R1.11 CC[C@H]1NCC[C@H]1O 1P028BJY [0,0,0,1,0,0|2,0,0]=3 1278 B8R1.11 CNC1CCCC1C 1P028IRX [0,0,0,1,0,0|3,0,0]=4 1279 B8R1.11 CNC1COCC1O 1P01BAMN [0,0,0,1,0,0|1,0,0]=2 1280 B8R1.11 CN[C@@H]1CCC[C@@H]1O 1P01KL2I [0,0,0,1,0,0|2,0,0]=3 1281 B8R1.11 CN[C@@H]1CCC[C@H]1O 1P00PKEU [0,0,0,1,0,0|2,0,0]=3 1282 B8R1.11 CN[C@H]1COC[C@@H]1O 1P00DD7E [0,0,0,1,0,0|1,0,0]=2 1283 B8R1.11 CN[C@H]1COC[C@@H]1O 1P00J2KE [0,0,0,1,0,0|1,0,0]=2 1284 B8R1.11 COC1CCCC1N 1P01A7QP [0,0,0,1,0,0|3,0,0]=4 1285 B8R1.11 CO[C@@H]1CCC[C@@H]1N 1P00M2PV [0,0,0,1,0,0|3,0,0]=4 1286 B8R1.11 CO[C@@H]1CCC[C@@H]1N 1P01JVEJ [0,0,0,1,0,0|3,0,0]=4 1287 B8R1.11 CO[C@@H]1CCC[C@H]1N 1P019FM8 [0,0,0,1,0,0|3,0,0]=4 1288 B8R1.11 CO[C@@H]1CCC[C@H]1N 1P01C1J4 [0,0,0,1,0,0|3,0,0]=4 1289 B8R1.11 CO[C@@H]1CCC[C@H]1O 1P005MYW [0,0,0,1,0,0|2,0,0]=3 1290 B8R1.11 CO[C@@H]1CNC[C@@H]1F 1P00HZFA [0,0,0,1,0,0|3,0,0]=4 1291 B8R1.11 CO[C@@H]1CNC[C@@H]1O 1P00I938 [0,0,0,1,0,0|2,0,0]=3 1292 B8R1.11 CO[C@@H]1CNC[C@H]1F 1P009A77 [0,0,0,1,0,0|3,0,0]=4 1293 B8R1.11 CO[C@@H]1CNC[C@H]1O 1P00I8J0 [0,0,0,1,0,0|2,0,0]=3 1294 B8R1.11 CO[C@@H]1COC[C@@H]1N 1P00J3D0 [0,0,0,1,0,0|2,0,0]=3 1295 B8R1.11 CO[C@@H]1COC[C@H]1O 1P023P89 [0,0,0,1,0,0|1,0,0]=2 1296 B8R1.11 CO[C@H]1CCC[C@@H]1N 1P01A85P [0,0,0,1,0,0|3,0,0]=4 1297 B8R1.11 CO[C@H]1CCC[C@@H]1N 1P024KNM [0,0,0,1,0,0|3,0,0]=4 1298 B8R1.11 CO[C@H]1CCC[C@@H]1O 1P01EN49 [0,0,0,1,0,0|2,0,0]=3 1299 B8R1.11 CO[C@H]1CNC[C@@H]1F 1P01DIAJ [0,0,0,1,0,0|3,0,0]=4 1300 B8R1.11 CO[C@H]1CNC[C@@H]1O 1P00DDLG [0,0,0,1,0,0|2,0,0]=3 1301 B8R1.11 CO[C@H]1CNC[C@@H]1O 1P01Z9RJ [0,0,0,1,0,0|2,0,0]=3 1302 B8R1.11 CO[C@H]1CNC[C@H]1O 1P01DYCR [0,0,0,1,0,0|2,0,0]=3 1303 B8R1.11 CO[C@H]1COC[C@@H]1N 1P00J2GA [0,0,0,1,0,0|2,0,0]=3 1304 B8R1.11 CSC1CCCC1N 1P018ST6 [0,0,0,1,0,0|3,0,0]=4 1305 B8R1.11 CS[C@@H]1CCC[C@@H]1Cl 1P028W07 [0,0,0,1,0,0|3,0,0]=4 1306 B8R1.11 CS[C@@H]1CCC[C@H]1N 1P01GTIJ [0,0,0,1,0,0|3,0,0]=4 1307 B8R1.11 CS[C@@H]1CCC[C@H]1O 1P0288RF [0,0,0,1,0,0|2,0,0]=3 1308 B8R1.11 CS[C@@H]1CNC[C@@H]1Cl 1P028YHZ [0,0,0,1,0,0|3,0,0]=4 1309 B8R1.11 CS[C@@H]1COC[C@H]1N 1P028SB6 [0,0,0,1,0,0|2,0,0]=3 1310 B8R1.11 CS[C@@H]1COC[C@H]1O 1P028UMM [0,0,0,1,0,0|1,0,0]=2 1311 B8R1.11 C[C@@H]1CNC[C@H]1CO 1P0205OR [0,0,0,1,0,0|2,0,0]=3 1312 B8R1.11 C[C@H]1CNC[C@@H]1CO 1P00IIT8 [0,0,0,1,0,0|2,0,0]=3 1313 B8R1.11 C[C@H]1CNC[C@@H]1CO 1P01JUVJ [0,0,0,1,0,0|2,0,0]=3 1314 B8R1.11 C[C@H]1NCC[C@H]1CO 1P00I1MI [0,0,0,1,0,0|2,0,0]=3 1315 B8R1.11 C[C@H]1OCC[C@H]1CO 1P00I2AV [0,0,0,1,0,0|2,0,0]=3 1316 B8R1.11 ClCC1CCCN1C 1P00DKB8 [0,0,0,1,0,0|3,0,0]=4 1317 B8R1.11 ClC[C@@H]1CCC[NH+]1C 1P006JDD [0,0,0,1,0,0|3,0,0]=4 1318 B8R1.11 ClC[C@H]1CCCN1C 1P01C5ZS [0,0,0,1,0,0|3,0,0]=4 1319 B8R1.11 ICC1CCCN1C 1P01EZRR [0,0,0,1,0,0|3,0,0]=4 1320 B8R1.11 ICC1OCCC1F 1P028HC4 [0,0,0,1,0,0|2,0,0]=3 1321 B8R1.11 N#CC1CCCC1C 1P01A6NY [0,0,0,1,0,0|2,0,1]=4 1322 B8R1.11 N#CC1CCCC1O 1P01A8RR [0,0,0,1,0,0|2,0,1]=4 1323 B8R1.11 N#C[C@@H]1CCC[C@H]1O 1P01DX23 [0,0,0,1,0,0|2,0,1]=4 1324 B8R1.11 N#C[C@@H]1OCC[C@H]1Br 1P028QJ1 [0,0,0,1,0,0|2,0,1]=4 1325 B8R1.11 NC1COCC1CO 1P01UNLN [0,0,0,1,0,0|2,0,0]=3 1326 B8R1.11 NCC1CCCC1C 1P005QZ9 [0,0,0,1,0,0|2,0,0]=3 1327 B8R1.11 NCC1CCCC1N 1P007QKI [0,0,0,1,0,0|3,0,0]=4 1328 B8R1.11 NCC1CCCC1O 1P018HNZ [0,0,0,1,0,0|2,0,0]=3 1329 B8R1.11 NCC1CCCN1C 1P002SFQ [0,0,0,1,0,0|3,0,0]=4 1330 B8R1.11 NCC1OCCC1F 1P0293OA [0,0,0,1,0,0|2,0,0]=3 1331 B8R1.11 NC[C@@H]1CCCN1C 1P00BIQW [0,0,0,1,0,0|3,0,0]=4 1332 B8R1.11 NC[C@@H]1CCCN1C 1P00FHK8 [0,0,0,1,0,0|3,0,0]=4 1333 B8R1.11 NC[C@@H]1CCC[C@H]1O 1P01C2CU [0,0,0,1,0,0|2,0,0]=3 1334 B8R1.11 NC[C@@H]1COC[C@@H]1O 1P001U6T [0,0,0,1,0,0|1,0,0]=2 1335 B8R1.11 NC[C@@H]1COC[C@@H]1O 1P01BIYU [0,0,0,1,0,0|1,0,0]=2 1336 B8R1.11 NC[C@@H]1COC[C@H]1O 1P00HZBF [0,0,0,1,0,0|1,0,0]=2 1337 B8R1.11 NC[C@H]1CCCN1C 1P00FY6Q [0,0,0,1,0,0|3,0,0]=4 1338 B8R1.11 NC[C@H]1CCC[C@H]1O 1P028MV0 [0,0,0,1,0,0|2,0,0]=3 1339 B8R1.11 NN[C@@H]1CCC[C@H]1O 1P00J2NB [0,0,0,1,0,0|3,0,0]=4 1340 B8R1.11 NN[C@@H]1CCC[C@H]1O 1P01C4AJ [0,0,0,1,0,0|3,0,0]=4 1341 B8R1.11 N[C@@H]1COC[C@@H]1CO 1P01JJ53 [0,0,0,1,0,0|2,0,0]=3 1342 B8R1.11 N[C@@H]1CSC[C@H]1CO 1P027Q14 [0,0,0,1,0,0|2,1,0]=4 1343 B8R1.11 O=CC1CCCC1C 1P01DZBJ [0,0,0,1,0,0|1,0,2]=4 1344 B8R1.11 OCC1=C(C)CCC1 1P0291Q3 [0,0,0,1,0,0|1,0,2]=4 1345 B8R1.11 OCC1CCCC1=O 1P002B0X [0,0,0,1,0,0|2,0,1]=4 1346 B8R1.11 OCC1CCCC1O 1P01DQ2T [0,0,0,1,0,0|2,0,0]=3 1347 B8R1.11 OCC1CCCN1C 1P0031J1 [0,0,0,1,0,0|2,0,0]=3 1348 B8R1.11 OCC1CCCN1N 1P01C3WP [0,0,0,1,0,0|3,0,0]=4 1349 B8R1.11 OCC1CNCC1O 1P01C28L [0,0,0,1,0,0|2,0,0]=3 1350 B8R1.11 OCC1NCCC1C 1P01B1O4 [0,0,0,1,0,0|1,0,0]=2 1351 B8R1.11 OCC1OCCC1C 1P020LVX [0,0,0,1,0,0|0,0,0]=1 1352 B8R1.11 OCC1OCCC1F 1P0286XN [0,0,0,1,0,0|1,0,0]=2 1353 B8R1.11 OC[C@@H]1CCCN1C 1P00I79C [0,0,0,1,0,0|2,0,0]=3 1354 B8R1.11 OC[C@@H]1CCC[C@@H]1N 1P0077RK [0,0,0,1,0,0|2,0,0]=3 1355 B8R1.11 OC[C@@H]1CCC[C@H]1N 1P028SBL [0,0,0,1,0,0|2,0,0]=3 1356 B8R1.11 OC[C@@H]1CNC[C@H]1F 1P024UMY [0,0,0,1,0,0|3,0,0]=4 1357 B8R1.11 OC[C@H]1CCCN1C 1P003TOB [0,0,0,1,0,0|2,0,0]=3 1358 B8R1.11 OC[C@H]1CCC[C@@H]1N 1P028E10 [0,0,0,1,0,0|2,0,0]=3 1359 B8R1.11 OC[C@H]1CNC[C@H]1O 1P00J2QQ [0,0,0,1,0,0|2,0,0]=3 1360 B8R1.11 OC[C@H]1NCC[C@@H]1O 1P01DI87 [0,0,0,1,0,0|2,0,0]=3 1361 B8R1.11 OC[C@H]1OCC[C@@H]1O 1P0069N6 [0,0,0,1,0,0|1,0,0]=2 1362 B8R1.11 O[C@@H]1CNC[C@@H]1C=C 1P02833D [0,0,0,1,0,0|1,0,2]=4 1363 B8R1.11 O[C@@H]1CNC[C@H]1C#C 1P0293I2 [0,0,0,1,0,0|1,0,2]=4 1364 B8R1.11 O[C@@H]1COC[C@H]1C#C 1P028FCZ [0,0,0,1,0,0|0,0,2]=3 1365 B8R1.11 O[C@@H]1COC[C@H]1C#N 1P027WJM [0,0,0,1,0,0|1,0,1]=3 1366 B8R1.12 NCC1CCN1CC 1P01BUSD [0,0,0,1,0,0|3,0,0]=4 1367 B8R1.12 NC[C@@H]1CC[C@H]1OC 1P028H6C [0,0,0,1,0,0|3,0,0]=4 1368 B8R1.12 OCC1CCC1CO 1P01JUXS [0,0,0,1,0,0|2,0,0]=3 1369 B8R1.12 OCC1CCN1CC 1P01BV6F [0,0,0,1,0,0|2,0,0]=3 1370 B8R1.12 OC[C@@H]1CC[C@@H]1CO 1P00DSL4 [0,0,0,1,0,0|2,0,0]=3 1371 B8R1.12 OC[C@@H]1CC[C@H]1C#N 1P028A2E [0,0,0,1,0,0|2,0,1]=4 1372 B8R1.12 OC[C@H]1CC[C@@H]1CO 1P01DGX0 [0,0,0,1,0,0|2,0,0]=3 1373 B8R1.12 SC[C@@H]1CC[C@H]1OC 1P02906X [0,0,0,1,0,0|2,1,0]=4 1374 B8R1.13 COCC1CCC1N 1P01BD02 [0,0,0,1,0,0|3,0,0]=4 1375 B8R1.13 COC[C@@H]1CC[C@@H]1N 1P01BUMW [0,0,0,1,0,0|3,0,0]=4 1376 B8R1.13 COC[C@@H]1CC[C@H]1N 1P01C5PY [0,0,0,1,0,0|3,0,0]=4 1377 B8R1.13 COC[C@H]1CC[C@@H]1N 1P01ALYJ [0,0,0,1,0,0|3,0,0]=4 1378 B8R1.13 COC[C@H]1CC[C@H]1N 1P01ALYI [0,0,0,1,0,0|3,0,0]=4 1379 B8R1.13 OCCN1CCC1=O 1P028Z12 [0,0,0,1,0,0|2,0,1]=4 1380 B8R1.17 BrCC[C@H]1C[C@H]1CC 1P028V5Z [0,0,0,1,0,0|2,0,0]=3 1381 B8R1.17 CCOC1CC1CO 1P01B1YH [0,0,0,1,0,0|2,0,0]=3 1382 B8R1.17 COC[C@@H]1C[C@H]1CN 1P028EYD [0,0,0,1,0,0|3,0,0]=4 1383 B8R1.17 COC[C@@H]1C[C@H]1CN 1P028R1A [0,0,0,1,0,0|3,0,0]=4 1384 B8R1.17 NCC[C@@H]1C[C@H]1CC 1P028DT2 [0,0,0,1,0,0|2,0,0]=3 1385 B8R1.17 OCC[C@@H]1C[C@@H]1CC 1P01IGWQ [0,0,0,1,0,0|1,0,0]=2 1386 B8R1.22 BrC1CCCCC=C1 1P007ANT [0,0,0,1,0,0|2,0,1]=4 1387 B8R1.22 BrC1CCCCCC1 1P007OQF [0,0,0,1,0,0|2,0,0]=3 1388 B8R1.22 BrC1CCOCCC1 1P01EM8F [0,0,0,1,0,0|2,0,0]=3 1389 B8R1.22 CC1=CCCCCC1 1P001L8L [0,0,0,1,0,0|2,0,1]=4 1390 B8R1.22 CC1CCCCCN1 1P008OVV [0,0,0,1,0,0|2,0,0]=3 1391 B8R1.22 CC1CCCCCN1 1P00C32A [0,0,0,1,0,0|2,0,0]=3 1392 B8R1.22 CC1CCCCNC1 1P00I0FI [0,0,0,1,0,0|2,0,0]=3 1393 B8R1.22 CC1CCNCCC1 1P00C94U [0,0,0,1,0,0|2,0,0]=3 1394 B8R1.22 CC1CCNCCC1 1P00IHD9 [0,0,0,1,0,0|2,0,0]=3 1395 B8R1.22 CC1CCNCCS1 1P018HIP [0,0,0,1,0,0|1,1,0]=3 1396 B8R1.22 CC1CNCCCN1 1P0033UF [0,0,0,1,0,0|3,0,0]=4 1397 B8R1.22 CC1CNCCCO1 1P008VQU [0,0,0,1,0,0|2,0,0]=3 1398 B8R1.22 CC1CNCCCO1 1P019FDT [0,0,0,1,0,0|2,0,0]=3 1399 B8R1.22 CC1CNCCNC1 1P003ZKY [0,0,0,1,0,0|3,0,0]=4 1400 B8R1.22 CC1CNCCOC1 1P00HI7A [0,0,0,1,0,0|2,0,0]=3 1401 B8R1.22 CC1CNCCSC1 1P018HJK [0,0,0,1,0,0|2,1,0]=4 1402 B8R1.22 CC1COCCCN1 1P027YF9 [0,0,0,1,0,0|2,0,0]=3 1403 B8R1.22 CC1CSCCCN1 1P01EJH5 [0,0,0,1,0,0|2,1,0]=4 1404 B8R1.22 CC1NCCNCC1 1P00C4D1 [0,0,0,1,0,0|2,0,0]=3 1405 B8R1.22 CC1NCCNCC1 1P01EKIU [0,0,0,1,0,0|2,0,0]=3 1406 B8R1.22 CC1NCCOCC1 1P01EJHE [0,0,0,1,0,0|1,0,0]=2 1407 B8R1.22 CC1NCCSCC1 1P01BE0S [0,0,0,1,0,0|1,1,0]=3 1408 B8R1.22 CC1NCCSCC1 1P01BE1B [0,0,0,1,0,0|1,1,0]=3 1409 B8R1.22 CN1CCNCCC1 1P0037W1 [0,0,0,1,0,0|3,0,0]=4 1410 B8R1.22 C[C@@H]1CCCCCN1 1P01JUX2 [0,0,0,1,0,0|2,0,0]=3 1411 B8R1.22 C[C@@H]1CNCCCN1 1P028NN1 [0,0,0,1,0,0|3,0,0]=4 1412 B8R1.22 C[C@@H]1COCCCN1 1P028G3R [0,0,0,1,0,0|2,0,0]=3 1413 B8R1.22 C[C@@H]1NCCNCC1 1P027TQ9 [0,0,0,1,0,0|2,0,0]=3 1414 B8R1.22 C[C@@H]1NCCOCC1 1P0281GJ [0,0,0,1,0,0|1,0,0]=2 1415 B8R1.22 C[C@H]1CCCCCN1 1P01XA6P [0,0,0,1,0,0|2,0,0]=3 1416 B8R1.22 C[C@H]1CNCCCO1 1P02873L [0,0,0,1,0,0|2,0,0]=3 1417 B8R1.22 C[C@H]1COCCCN1 1P028WWX [0,0,0,1,0,0|2,0,0]=3 1418 B8R1.22 C[C@H]1NCCNCC1 1P028Y2N [0,0,0,1,0,0|2,0,0]=3 1419 B8R1.22 C[C@H]1NCCOCC1 1P0281UY [0,0,0,1,0,0|1,0,0]=2 1420 B8R1.22 ClC1CCCCC=C1 1P01HURI [0,0,0,1,0,0|2,0,1]=4 1421 B8R1.22 ClC1CCCCCC1 1P002OX5 [0,0,0,1,0,0|2,0,0]=3 1422 B8R1.22 FC1CCCCNC1 1P00HXB3 [0,0,0,1,0,0|2,0,0]=3 1423 B8R1.22 FC1CCNCCC1 1P00IL8X [0,0,0,1,0,0|3,0,0]=4 1424 B8R1.22 FC1CNCCNC1 1P027Q30 [0,0,0,1,0,0|3,0,0]=4 1425 B8R1.22 FC1CNCCOC1 1P027Q32 [0,0,0,1,0,0|2,0,0]=3 1426 B8R1.22 F[C@H]1CCCCNC1 1P027OGS [0,0,0,1,0,0|2,0,0]=3 1427 B8R1.22 NC1CCCCC=C1 1P0025SS [0,0,0,1,0,0|2,0,1]=4 1428 B8R1.22 NC1CCCCCC1 1P003PL3 [0,0,0,1,0,0|2,0,0]=3 1429 B8R1.22 NC1CCCCNC1 1P003OEK [0,0,0,1,0,0|2,0,0]=3 1430 B8R1.22 NC1CCNCCC1 1P007UL9 [0,0,0,1,0,0|3,0,0]=4 1431 B8R1.22 NC1CCSCCC1 1P01B4G9 [0,0,0,1,0,0|2,1,0]=4 1432 B8R1.22 NC1CCSCCC1 1P01FJXN [0,0,0,1,0,0|2,1,0]=4 1433 B8R1.22 NC1CNCCNC1 1P00H500 [0,0,0,1,0,0|3,0,0]=4 1434 B8R1.22 NC1CNCCOC1 1P01JUX5 [0,0,0,1,0,0|2,0,0]=3 1435 B8R1.22 NC1COCCOC1 1P01A0HJ [0,0,0,1,0,0|2,0,0]=3 1436 B8R1.22 NC1CSCCSC1 1P028HX6 [0,0,0,1,0,0|2,1,0]=4 1437 B8R1.22 NN1CCCCCC1 1P003EEN [0,0,0,1,0,0|3,0,0]=4 1438 B8R1.22 N[C@@H]1CCCCNC1 1P000ND4 [0,0,0,1,0,0|2,0,0]=3 1439 B8R1.22 N[C@H]1CCCCNC1 1P007W19 [0,0,0,1,0,0|2,0,0]=3 1440 B8R1.22 O=C1CCCCCC1 1P0036IB [0,0,0,1,0,0|1,0,2]=4 1441 B8R1.22 O=C1CCCCCO1 1P003A8V [0,0,0,1,0,0|2,0,1]=4 1442 B8R1.22 O=C1CCCCNC1 1P00EIWU [0,0,0,1,0,0|1,0,2]=4 1443 B8R1.22 O=C1CCOCCC1 1P00ED4O [0,0,0,1,0,0|2,0,1]=4 1444 B8R1.22 O=C1CNCCOC1 1P01KWZH [0,0,0,1,0,0|1,0,2]=4 1445 B8R1.22 O=C1COCCCN1 1P00IB9U [0,0,0,1,0,0|1,0,2]=4 1446 B8R1.22 O=C1COCCOC1 1P00C30M [0,0,0,1,0,0|1,0,2]=4 1447 B8R1.22 O=C1NCCOCC1 1P00333S [0,0,0,1,0,0|2,0,1]=4 1448 B8R1.22 O=C1OCCOCC1 1P003E79 [0,0,0,1,0,0|1,0,1]=3 1449 B8R1.22 OC1CCC=CCC1 1P0291Q6 [0,0,0,1,0,0|1,0,2]=4 1450 B8R1.22 OC1CCCC=CC1 1P01H9BB [0,0,0,1,0,0|1,0,1]=3 1451 B8R1.22 OC1CCCCCC1 1P003542 [0,0,0,1,0,0|1,0,0]=2 1452 B8R1.22 OC1CCCCNC1 1P005JRI [0,0,0,1,0,0|1,0,0]=2 1453 B8R1.22 OC1CCCCNC1 1P00I3PF [0,0,0,1,0,0|1,0,0]=2 1454 B8R1.22 OC1CCNCCC1 1P000HRL [0,0,0,1,0,0|2,0,0]=3 1455 B8R1.22 OC1CCNCCC1 1P00BYE2 [0,0,0,1,0,0|2,0,0]=3 1456 B8R1.22 OC1CCOCCC1 1P00IAAC [0,0,0,1,0,0|2,0,0]=3 1457 B8R1.22 OC1CNCCNC1 1P00BJNM [0,0,0,1,0,0|2,0,0]=3 1458 B8R1.22 OC1CNCCNC1 1P00I3TH [0,0,0,1,0,0|2,0,0]=3 1459 B8R1.22 OC1CNCCOC1 1P00HSYO [0,0,0,1,0,0|1,0,0]=2 1460 B8R1.22 OC1CNCCOC1 1P01APJD [0,0,0,1,0,0|1,0,0]=2 1461 B8R1.22 O[C@@H]1CCCCNC1 1P01DL5C [0,0,0,1,0,0|1,0,0]=2 1462 B8R1.22 O[C@@H]1CCCCNC1 1P01K6XU [0,0,0,1,0,0|1,0,0]=2 1463 B8R1.22 O[C@@H]1CCNCCC1 1P01KXI4 [0,0,0,1,0,0|2,0,0]=3 1464 B8R1.22 O[C@@H]1CNCCOC1 1P0092SS [0,0,0,1,0,0|1,0,0]=2 1465 B8R1.22 O[C@H]1CCCCNC1 1P01K6XJ [0,0,0,1,0,0|1,0,0]=2 1466 B8R1.22 O[C@H]1CCNCCC1 1P01K4JY [0,0,0,1,0,0|2,0,0]=3 1467 B8R1.22 O[C@H]1CNCCOC1 1P009W3G [0,0,0,1,0,0|1,0,0]=2 1468 B8R1.22 SC1CCCCCC1 1P01DTFG [0,0,0,1,0,0|1,1,0]=3 1469 B8R1.22 SC1CCNCCC1 1P02915A [0,0,0,1,0,0|2,1,0]=4 1470 B8R1.36 BrCCCCC1CC1 1P01CAVO [0,0,0,1,0,0|2,0,0]=3 1471 B8R1.36 BrCCOCC1CC1 1P01AKVW [0,0,0,1,0,0|1,0,0]=2 1472 B8R1.36 BrCCOCC1CO1 1P006RGZ [0,0,0,1,0,0|2,0,0]=3 1473 B8R1.36 C#CCNCC1CC1 1P018NI4 [0,0,0,1,0,0|2,0,1]=4 1474 B8R1.36 C#CCOCC1CO1 1P0023KT [0,0,0,1,0,0|2,0,1]=4 1475 B8R1.36 C=CCNCC1CC1 1P018NHW [0,0,0,1,0,0|2,0,1]=4 1476 B8R1.36 CCCCNC1CC1 1P019MH2 [0,0,0,1,0,0|2,0,0]=3 1477 B8R1.36 CCCNCC1CC1 1P002TGU [0,0,0,1,0,0|2,0,0]=3 1478 B8R1.36 CCNCCC1CC1 1P01AC9F [0,0,0,1,0,0|3,0,0]=4 1479 B8R1.36 CCOCCC1CO1 1P01BES2 [0,0,0,1,0,0|2,0,0]=3 1480 B8R1.36 CNCCOC1CC1 1P01BJDW [0,0,0,1,0,0|2,0,0]=3 1481 B8R1.36 COCCNC1CC1 1P00AYQP [0,0,0,1,0,0|3,0,0]=4 1482 B8R1.36 COCCNC1CC1 1P01ADA0 [0,0,0,1,0,0|3,0,0]=4 1483 B8R1.36 N#CCOCC1CC1 1P019TNB [0,0,0,1,0,0|1,0,1]=3 1484 B8R1.36 NCCCCC1CC1 1P01BTZF [0,0,0,1,0,0|2,0,0]=3 1485 B8R1.36 NCCCOC1CC1 1P027YOH [0,0,0,1,0,0|2,0,0]=3 1486 B8R1.36 NCCNCC1CC1 1P01EKLD [0,0,0,1,0,0|2,0,0]=3 1487 B8R1.36 NCCOCC1CC1 1P0047AX [0,0,0,1,0,0|1,0,0]=2 1488 B8R1.36 NCCOCC1CC1 1P01AHBZ [0,0,0,1,0,0|1,0,0]=2 1489 B8R1.36 NCCSCC1CC1 1P01A0VC [0,0,0,1,0,0|1,1,0]=3 1490 B8R1.36 NOCCCC1CC1 1P02906M [0,0,0,1,0,0|3,0,0]=4 1491 B8R1.36 O=CCCCC1CC1 1P01BTZJ [0,0,0,1,0,0|1,0,2]=4 1492 B8R1.36 OCCCCC1CC1 1P01BD2I [0,0,0,1,0,0|1,0,0]=2 1493 B8R1.36 OCCCCC1CO1 1P021LBA [0,0,0,1,0,0|2,0,0]=3 1494 B8R1.36 OCCCNC1CC1 1P01AJJH [0,0,0,1,0,0|2,0,0]=3 1495 B8R1.36 OCCCSC1CC1 1P01AUTY [0,0,0,1,0,0|2,0,0]=3 1496 B8R1.36 OCCNCC1CC1 1P003SQ7 [0,0,0,1,0,0|1,0,0]=2 1497 B8R1.36 OCCNCC1CC1 1P00KA27 [0,0,0,1,0,0|1,0,0]=2 1498 B8R1.36 OCCOCC1CC1 1P01AD6O [0,0,0,1,0,0|0,0,0]=1 1499 B8R1.36 OCCOCC1CO1 1P01A0UK [0,0,0,1,0,0|1,0,0]=2 1500 B8R1.36 SCCCCC1CC1 1P0291JF [0,0,0,1,0,0|1,1,0]=3 1501 B8R1.49 C1CCC=CCNC1 1P01EMNO [0,0,0,1,0,0|2,0,1]=4 1502 B8R1.49 C1CCCC=CCC1 1P003PML [0,0,0,1,0,0|2,0,1]=4 1503 B8R1.49 C1CCCCNCC1 1P007CHM [0,0,0,1,0,0|2,0,0]=3 1504 B8R1.49 C1CCCCNCC1 1P01SROW [0,0,0,1,0,0|2,0,0]=3 1505 B8R1.49 C1CCNCCCN1 1P00CM0Y [0,0,0,1,0,0|3,0,0]=4 1506 B8R1.49 C1OCCNCCO1 1P01A0H2 [0,0,0,1,0,0|2,0,0]=3 1507 B5R0.2 BrCCCCBr 1P00333E [2,0,0,0,0,0|2,0,0]=4 1508 B5R0.2 BrCCNCC 1P028CH9 [2,0,0,0,0,0|2,0,0]=4 1509 B5R0.2 BrCCOCC 1P00IAZI [2,0,0,0,0,0|1,0,0]=3 1510 B5R0.2 BrCCOCCl 1P001E9S [2,0,0,0,0,0|2,0,0]=4 1511 B5R0.2 BrCCSCC 1P01A541 [2,0,0,0,0,0|1,1,0]=4 1512 B5R0.2 CC#CCCO 1P0007L9 [2,0,0,0,0,0|0,0,2]=4 1513 B5R0.2 CCC#CCO 1P003BQ5 [2,0,0,0,0,0|0,0,2]=4 1514 B5R0.2 CCCCC#C 1P003EUT [2,0,0,0,0,0|0,0,2]=4 1515 B5R0.2 CCCCC#N 1P0039FZ [2,0,0,0,0,0|1,0,1]=4 1516 B5R0.2 CCCCC=O 1P003VQU [2,0,0,0,0,0|0,0,2]=4 1517 B5R0.2 CCCCCCl 1P003EPF [2,0,0,0,0,0|1,0,0]=3 1518 B5R0.2 CCCCCF 1P003ET1 [2,0,0,0,0,0|1,0,0]=3 1519 B5R0.2 CCCCCI 1P003EWK [2,0,0,0,0,0|1,0,0]=3 1520 B5R0.2 CCCCCN 1P003OCQ [2,0,0,0,0,0|1,0,0]=3 1521 B5R0.2 CCCCCN 1P01XEUV [2,0,0,0,0,0|1,0,0]=3 1522 B5R0.2 CCCCCS 1P003F1Y [2,0,0,0,0,0|0,1,0]=3 1523 B5R0.2 CCCCNC 1P003TNV [2,0,0,0,0,0|1,0,0]=3 1524 B5R0.2 CCCCNN 1P00CJP0 [2,0,0,0,0,0|2,0,0]=4 1525 B5R0.2 CCCCNO 1P01BKUP [2,0,0,0,0,0|1,0,0]=3 1526 B5R0.2 CCCCON 1P003TWH [2,0,0,0,0,0|1,0,0]=3 1527 B5R0.2 CCCCON 1P003TWI [2,0,0,0,0,0|1,0,0]=3 1528 B5R0.2 CCCC[Mg]Cl 1P00351G [2,0,0,0,0,0|2,0,0]=4 1529 B5R0.2 CCCNOC 1P02867D [2,0,0,0,0,0|1,0,0]=3 1530 B5R0.2 CCCOC=C 1P0035ZV [2,0,0,0,0,0|0,0,2]=4 1531 B5R0.2 CCCOCBr 1P019UI6 [2,0,0,0,0,0|1,0,0]=3 1532 B5R0.2 CCCOCCl 1P01C0RR [2,0,0,0,0,0|1,0,0]=3 1533 B5R0.2 CCCSSC 1P003SIY [2,0,0,0,0,0|1,1,0]=4 1534 B5R0.2 CCNCCC 1P003THE [2,0,0,0,0,0|1,0,0]=3 1535 B5R0.2 CCOC=CC 1P003ER0 [2,0,0,0,0,0|0,0,2]=4 1536 B5R0.2 CCOCC#C 1P00ELWE [2,0,0,0,0,0|0,0,2]=4 1537 B5R0.2 CCOCC#N 1P00ELJH [2,0,0,0,0,0|1,0,1]=4 1538 B5R0.2 CCON=CC 1P028C19 [2,0,0,0,0,0|1,0,1]=4 1539 B5R0.2 CCSCCC 1P003QWW [2,0,0,0,0,0|0,1,0]=3 1540 B5R0.2 CCSSCC 1P00356X [2,0,0,0,0,0|1,1,0]=4 1541 B5R0.2 CC[Se][Se]CC 1P00E95V [2,0,0,0,0,0|1,1,0]=4 1542 B5R0.2 CC\C=C/CO 1P001Q0D [2,0,0,0,0,0|0,0,2]=4 1543 B5R0.2 CNCCCBr 1P01BI71 [2,0,0,0,0,0|2,0,0]=4 1544 B5R0.2 CNCCCCl 1P0038YX [2,0,0,0,0,0|2,0,0]=4 1545 B5R0.2 CNCCCF 1P01BITB [2,0,0,0,0,0|2,0,0]=4 1546 B5R0.2 CNCCCN 1P0035UU [2,0,0,0,0,0|2,0,0]=4 1547 B5R0.2 CNCCCO 1P003IPD [2,0,0,0,0,0|1,0,0]=3 1548 B5R0.2 CNCCNC 1P003312 [2,0,0,0,0,0|2,0,0]=4 1549 B5R0.2 CNCCOC 1P0035QY [2,0,0,0,0,0|1,0,0]=3 1550 B5R0.2 CNCCOC 1P009AD0 [2,0,0,0,0,0|1,0,0]=3 1551 B5R0.2 CNCCSC 1P003TMW [2,0,0,0,0,0|1,1,0]=4 1552 B5R0.2 CNCCSC 1P00C2IC [2,0,0,0,0,0|1,1,0]=4 1553 B5R0.2 COCC#CC 1P002UW0 [2,0,0,0,0,0|0,0,2]=4 1554 B5R0.2 COCCC#C 1P0038EG [2,0,0,0,0,0|0,0,2]=4 1555 B5R0.2 COCCC#N 1P003K4P [2,0,0,0,0,0|1,0,1]=4 1556 B5R0.2 COCCC=C 1P01B6VT [2,0,0,0,0,0|0,0,2]=4 1557 B5R0.2 COCCC=O 1P007M22 [2,0,0,0,0,0|1,0,1]=4 1558 B5R0.2 COCCCBr 1P00336E [2,0,0,0,0,0|1,0,0]=3 1559 B5R0.2 COCCCCl 1P00337F [2,0,0,0,0,0|1,0,0]=3 1560 B5R0.2 COCCCI 1P00EKFX [2,0,0,0,0,0|1,0,0]=3 1561 B5R0.2 COCCCN 1P0038DG [2,0,0,0,0,0|1,0,0]=3 1562 B5R0.2 COCCCO 1P001RGO [2,0,0,0,0,0|1,0,0]=3 1563 B5R0.2 COCCCS 1P01AA5Q [2,0,0,0,0,0|1,0,0]=3 1564 B5R0.2 COCCNN 1P003AQP [2,0,0,0,0,0|2,0,0]=4 1565 B5R0.2 COCCNN 1P00IFMC [2,0,0,0,0,0|2,0,0]=4 1566 B5R0.2 COCCNO 1P0285VP [2,0,0,0,0,0|2,0,0]=4 1567 B5R0.2 COCCOC 1P002VSH [2,0,0,0,0,0|1,0,0]=3 1568 B5R0.2 COCCOC 1P00331J [2,0,0,0,0,0|1,0,0]=3 1569 B5R0.2 COCCOC 1P00C2HL [2,0,0,0,0,0|1,0,0]=3 1570 B5R0.2 COCCON 1P00DIDG [2,0,0,0,0,0|2,0,0]=4 1571 B5R0.2 COCCSC 1P01HW79 [2,0,0,0,0,0|1,0,0]=3 1572 B5R0.2 CONCCO 1P01DWXD [2,0,0,0,0,0|2,0,0]=4 1573 B5R0.2 CSCCCBr 1P01ALFA [2,0,0,0,0,0|1,1,0]=4 1574 B5R0.2 CSCCCCl 1P000UI5 [2,0,0,0,0,0|1,1,0]=4 1575 B5R0.2 CSCCCN 1P003IQ4 [2,0,0,0,0,0|1,1,0]=4 1576 B5R0.2 CSCCCN 1P01JMHA [2,0,0,0,0,0|1,1,0]=4 1577 B5R0.2 CSCCCO 1P00I9J4 [2,0,0,0,0,0|1,0,0]=3 1578 B5R0.2 CSCCCS 1P01C2PP [2,0,0,0,0,0|1,1,0]=4 1579 B5R0.2 CSCCON 1P01BHJA [2,0,0,0,0,0|2,0,0]=4 1580 B5R0.2 C\C=C\CCO 1P008QP2 [2,0,0,0,0,0|0,0,2]=4 1581 B5R0.2 ClCCCCBr 1P00336I [2,0,0,0,0,0|2,0,0]=4 1582 B5R0.2 ClCCCCCl 1P00333I [2,0,0,0,0,0|2,0,0]=4 1583 B5R0.2 ClCCCCI 1P003BI5 [2,0,0,0,0,0|2,0,0]=4 1584 B5R0.2 ClCCNCC 1P01C5GK [2,0,0,0,0,0|2,0,0]=4 1585 B5R0.2 ClCCOCC 1P0033PX [2,0,0,0,0,0|1,0,0]=3 1586 B5R0.2 ClCCSCC 1P003HIZ [2,0,0,0,0,0|1,1,0]=4 1587 B5R0.2 ClCOCCCl 1P003HIY [2,0,0,0,0,0|2,0,0]=4 1588 B5R0.2 FCCCCBr 1P0032OZ [2,0,0,0,0,0|2,0,0]=4 1589 B5R0.2 FCCNCC 1P00GMCK [2,0,0,0,0,0|2,0,0]=4 1590 B5R0.2 FCCOCCl 1P0292DM [2,0,0,0,0,0|2,0,0]=4 1591 B5R0.2 ICCCCI 1P00IBJX [2,0,0,0,0,0|2,0,0]=4 1592 B5R0.2 ICCOCC 1P01BFOP [2,0,0,0,0,0|1,0,0]=3 1593 B5R0.2 NCCCCBr 1P002P1X [2,0,0,0,0,0|2,0,0]=4 1594 B5R0.2 NCCCCCl 1P00IBTD [2,0,0,0,0,0|2,0,0]=4 1595 B5R0.2 NCCCCF 1P01ALJC [2,0,0,0,0,0|2,0,0]=4 1596 B5R0.2 NCCCCN 1P003337 [2,0,0,0,0,0|2,0,0]=4 1597 B5R0.2 NCCCCO 1P0014XR [2,0,0,0,0,0|1,0,0]=3 1598 B5R0.2 NCCCCS 1P002LKU [2,0,0,0,0,0|1,1,0]=4 1599 B5R0.2 NCCCNO 1P01BDE6 [2,0,0,0,0,0|2,0,0]=4 1600 B5R0.2 NCCCON 1P0203AF [2,0,0,0,0,0|2,0,0]=4 1601 B5R0.2 NCCNCC 1P003TGX [2,0,0,0,0,0|2,0,0]=4 1602 B5R0.2 NCCNOC 1P028AHO [2,0,0,0,0,0|2,0,0]=4 1603 B5R0.2 NCCOCC 1P0033R7 [2,0,0,0,0,0|1,0,0]=3 1604 B5R0.2 NCCONC 1P007607 [2,0,0,0,0,0|2,0,0]=4 1605 B5R0.2 NCCSCC 1P003FIX [2,0,0,0,0,0|1,1,0]=4 1606 B5R0.2 NCCSCC 1P003FIY [2,0,0,0,0,0|1,1,0]=4 1607 B5R0.2 NNCCCO 1P00HJ6S [2,0,0,0,0,0|2,0,0]=4 1608 B5R0.2 NOCCCO 1P00D5H1 [2,0,0,0,0,0|2,0,0]=4 1609 B5R0.2 NOCCCS 1P008XGG [2,0,0,0,0,0|2,0,0]=4 1610 B5R0.2 OCCCC#C 1P0034LD [2,0,0,0,0,0|0,0,2]=4 1611 B5R0.2 OCCCC#C 1P005XW2 [2,0,0,0,0,0|0,0,2]=4 1612 B5R0.2 OCCCC#N 1P00EBTB [2,0,0,0,0,0|1,0,1]=4 1613 B5R0.2 OCCCC=C 1P004WX4 [2,0,0,0,0,0|0,0,2]=4 1614 B5R0.2 OCCCC=O 1P00BGD0 [2,0,0,0,0,0|1,0,1]=4 1615 B5R0.2 OCCCCBr 1P0037UC [2,0,0,0,0,0|1,0,0]=3 1616 B5R0.2 OCCCCCl 1P0034FN [2,0,0,0,0,0|1,0,0]=3 1617 B5R0.2 OCCCCF 1P00C0MQ [2,0,0,0,0,0|1,0,0]=3 1618 B5R0.2 OCCCCI 1P00CN85 [2,0,0,0,0,0|1,0,0]=3 1619 B5R0.2 OCCCCO 1P01HWSN [2,0,0,0,0,0|1,0,0]=3 1620 B5R0.2 OCCCCS 1P001MEH [2,0,0,0,0,0|1,0,0]=3 1621 B5R0.2 OCCNCC 1P0033C9 [2,0,0,0,0,0|1,0,0]=3 1622 B5R0.2 OCCNCC 1P01AHV6 [2,0,0,0,0,0|1,0,0]=3 1623 B5R0.2 OCCOC=C 1P003QZ8 [2,0,0,0,0,0|0,0,2]=4 1624 B5R0.2 OCCOC=O 1P00EL36 [2,0,0,0,0,0|1,0,1]=4 1625 B5R0.2 OCCOCC 1P0032R3 [2,0,0,0,0,0|0,0,0]=2 1626 B5R0.2 OCCSCC 1P003QKZ [2,0,0,0,0,0|0,1,0]=3 1627 B5R0.2 OCNCCO 1P003GOV [2,0,0,0,0,0|2,0,0]=4 1628 B5R0.2 SCCCCS 1P000INJ [2,0,0,0,0,0|1,1,0]=4 1629 B5R0.2 SCCNCC 1P028BVX [2,0,0,0,0,0|1,1,0]=4 1630 B5R0.2 SCCOCC 1P001ZJN [2,0,0,0,0,0|0,1,0]=3 1631 B5R0.2 SCCSCC 1P007L7A [2,0,0,0,0,0|0,2,0]=4 1632 B5R0.2 [C-]#[N+]CCCC 1P002UXG [2,0,0,0,0,0|1,0,1]=4 1633 B5R0.2 [C-]#[N+]CCOC 1P00D8L3 [2,0,0,0,0,0|1,0,1]=4 1634 B7R0.3 BrCCCC(=O)CC 1P0029WY [1,1,0,0,0,0|1,0,1]=4 1635 B7R0.3 CC#CCC(CO)N 1P01C5I3 [1,1,0,0,0,0|0,0,2]=4 1636 B7R0.3 CC(C=O)CCCC 1P006HJQ [1,1,0,0,0,0|0,0,2]=4 1637 B7R0.3 CC(CN)CCOC 1P01C3CP [1,1,0,0,0,0|2,0,0]=4 1638 B7R0.3 CC(CO)CCNC 1P02823V [1,1,0,0,0,0|1,0,0]=3 1639 B7R0.3 CC(CO)CCNC 1P0282JF [1,1,0,0,0,0|1,0,0]=3 1640 B7R0.3 CC(NC)CCCO 1P0282T6 [1,1,0,0,0,0|1,0,0]=3 1641 B7R0.3 CCC(CCC#C)O 1P01A0SZ [1,1,0,0,0,0|1,0,1]=4 1642 B7R0.3 CCC(CCC=C)O 1P002BKB [1,1,0,0,0,0|1,0,1]=4 1643 B7R0.3 CCCCC(=C)CC 1P001UBV [1,1,0,0,0,0|1,0,0]=3 1644 B7R0.3 CCCCC(=N)NO 1P00650U [1,1,0,0,0,0|1,0,1]=4 1645 B7R0.3 CCCCC(=O)CBr 1P021RD0 [1,1,0,0,0,0|1,0,1]=4 1646 B7R0.3 CCCCC(=O)CC 1P003JZ2 [1,1,0,0,0,0|1,0,0]=3 1647 B7R0.3 CCCCC(=O)CCl 1P0028ST [1,1,0,0,0,0|1,0,1]=4 1648 B7R0.3 CCCCC(=O)CN 1P01HITA [1,1,0,0,0,0|1,0,1]=4 1649 B7R0.3 CCCCC(=O)OC 1P003SJO [1,1,0,0,0,0|2,0,0]=4 1650 B7R0.3 CCCCC(C#C)O 1P003BII [1,1,0,0,0,0|1,0,1]=4 1651 B7R0.3 CCCCC(C#N)Cl 1P01EM81 [1,1,0,0,0,0|1,0,1]=4 1652 B7R0.3 CCCCC(C=C)O 1P003EU8 [1,1,0,0,0,0|1,0,1]=4 1653 B7R0.3 CCCCC(CBr)Br 1P003DUJ [1,1,0,0,0,0|1,0,0]=3 1654 B7R0.3 CCCCC(CBr)C 1P0004JR [1,1,0,0,0,0|1,0,0]=3 1655 B7R0.3 CCCCC(CBr)O 1P006UE4 [1,1,0,0,0,0|1,0,0]=3 1656 B7R0.3 CCCCC(CC)Br 1P002BA2 [1,1,0,0,0,0|1,0,0]=3 1657 B7R0.3 CCCCC(CC)C 1P003K82 [1,1,0,0,0,0|1,0,0]=3 1658 B7R0.3 CCCCC(CC)I 1P01HTHG [1,1,0,0,0,0|1,0,0]=3 1659 B7R0.3 CCCCC(CC)N 1P01EIJ3 [1,1,0,0,0,0|1,0,0]=3 1660 B7R0.3 CCCCC(CC)O 1P003RBN [1,1,0,0,0,0|1,0,0]=3 1661 B7R0.3 CCCCC(CCl)Cl 1P00BE4X [1,1,0,0,0,0|1,0,0]=3 1662 B7R0.3 CCCCC(CN)N 1P001A1X [1,1,0,0,0,0|1,0,0]=3 1663 B7R0.3 CCCCC(CN)O 1P01APZ7 [1,1,0,0,0,0|1,0,0]=3 1664 B7R0.3 CCCCC(CO)C 1P00EBF2 [1,1,0,0,0,0|0,0,0]=2 1665 B7R0.3 CCCCC(CO)N 1P01S6TK [1,1,0,0,0,0|0,0,0]=2 1666 B7R0.3 CCCCC(CO)O 1P003Q98 [1,1,0,0,0,0|0,0,0]=2 1667 B7R0.3 CCCCC(NC)C 1P01BCWR [1,1,0,0,0,0|2,0,0]=4 1668 B7R0.3 CCCC[C@@H](CO)N 1P003CWX [1,1,0,0,0,0|0,0,0]=2 1669 B7R0.3 CCCC[C@H](CO)N 1P001RA5 [1,1,0,0,0,0|0,0,0]=2 1670 B7R0.3 CCCC[C@H](CO)N 1P003QBM [1,1,0,0,0,0|0,0,0]=2 1671 B7R0.3 CCCNC(=O)CC 1P00CZT8 [1,1,0,0,0,0|2,0,0]=4 1672 B7R0.3 CCCNC(CC)C 1P003TSU [1,1,0,0,0,0|2,0,0]=4 1673 B7R0.3 CCCNC(CO)C 1P006VOO [1,1,0,0,0,0|1,0,0]=3 1674 B7R0.3 CCCOC(=O)CC 1P0035ZU [1,1,0,0,0,0|1,0,1]=4 1675 B7R0.3 CCCOC(CN)C 1P00IFIO [1,1,0,0,0,0|1,0,0]=3 1676 B7R0.3 CCNCC(CC)C 1P019U8V [1,1,0,0,0,0|1,0,0]=3 1677 B7R0.3 CCNCC(CC)C 1P019UAI [1,1,0,0,0,0|1,0,0]=3 1678 B7R0.3 CCNCC(CC)O 1P005O12 [1,1,0,0,0,0|1,0,0]=3 1679 B7R0.3 CCNCC(CF)O 1P0290C8 [1,1,0,0,0,0|2,0,0]=4 1680 B7R0.3 CCNCC(CO)O 1P002B9E [1,1,0,0,0,0|1,0,0]=3 1681 B7R0.3 CCNCC(OC)C 1P01BD24 [1,1,0,0,0,0|2,0,0]=4 1682 B7R0.3 CCNC[C@@H](CC)O 1P0286VM [1,1,0,0,0,0|1,0,0]=3 1683 B7R0.3 CCNC[C@H](CC)N 1P028M6K [1,1,0,0,0,0|1,0,0]=3 1684 B7R0.3 CCNC[C@H](CC)O 1P028WZV [1,1,0,0,0,0|1,0,0]=3 1685 B7R0.3 CCOCC(=O)CCl 1P00FH3Q [1,1,0,0,0,0|1,0,1]=4 1686 B7R0.3 CCOCC(=O)OC 1P002545 [1,1,0,0,0,0|1,0,1]=4 1687 B7R0.3 CCOCC(CN)C 1P028P90 [1,1,0,0,0,0|1,0,0]=3 1688 B7R0.3 CCOCC(CN)O 1P00C90W [1,1,0,0,0,0|1,0,0]=3 1689 B7R0.3 CCOCC(CN)O 1P01FP7U [1,1,0,0,0,0|1,0,0]=3 1690 B7R0.3 CCOCC(CO)O 1P0038O5 [1,1,0,0,0,0|1,0,0]=3 1691 B7R0.3 CCOC[C@H](CO)N 1P01ALKF [1,1,0,0,0,0|1,0,0]=3 1692 B7R0.3 CCOC[C@H](CO)O 1P0281M0 [1,1,0,0,0,0|1,0,0]=3 1693 B7R0.3 CCSCC(NC)C 1P019THP [1,1,0,0,0,0|1,1,0]=4 1694 B7R0.3 CCSC[C@H](CO)N 1P0281AQ [1,1,0,0,0,0|1,0,0]=3 1695 B7R0.3 CCSC[C@H](CO)N 1P0288M7 [1,1,0,0,0,0|1,0,0]=3 1696 B7R0.3 CC[C@@H](CCC=C)O 1P028G66 [1,1,0,0,0,0|1,0,1]=4 1697 B7R0.3 CC[C@H](CCC=C)O 1P028FU3 [1,1,0,0,0,0|1,0,1]=4 1698 B7R0.3 CNC(=O)OCCO 1P0011WV [1,1,0,0,0,0|1,0,1]=4 1699 B7R0.3 CNCCC(CO)O 1P02862J [1,1,0,0,0,0|1,0,0]=3 1700 B7R0.3 CNCCN(CC)C 1P00J29G [1,1,0,0,0,0|2,0,0]=4 1701 B7R0.3 COCCC(CC)N 1P019ZIH [1,1,0,0,0,0|2,0,0]=4 1702 B7R0.3 COCCC(CC)O 1P01A2YR [1,1,0,0,0,0|2,0,0]=4 1703 B7R0.3 COCCC(CN)O 1P028YZ4 [1,1,0,0,0,0|2,0,0]=4 1704 B7R0.3 COCCC(CO)N 1P018SNU [1,1,0,0,0,0|1,0,0]=3 1705 B7R0.3 COCC[C@@H](CO)O 1P01INA6 [1,1,0,0,0,0|1,0,0]=3 1706 B7R0.3 CSCCC(CN)O 1P01BVQ4 [1,1,0,0,0,0|2,0,0]=4 1707 B7R0.3 CSCCC(CO)N 1P001XOC [1,1,0,0,0,0|1,0,0]=3 1708 B7R0.3 CSCC[C@@H](CN)N 1P01BVRW [1,1,0,0,0,0|2,0,0]=4 1709 B7R0.3 CSCC[C@@H](CO)N 1P002VLL [1,1,0,0,0,0|1,0,0]=3 1710 B7R0.3 CSCC[C@H](CO)N 1P004S8I [1,1,0,0,0,0|1,0,0]=3 1711 B7R0.3 C[C@@H](OCOC)CO 1P001R35 [1,1,0,0,0,0|1,0,0]=3 1712 B7R0.3 C[C@H](C=O)CCCC 1P006QRH [1,1,0,0,0,0|0,0,2]=4 1713 B7R0.3 ClCCCC(=O)CC 1P01AC2E [1,1,0,0,0,0|1,0,1]=4 1714 B7R0.3 ClCCCC(CCl)O 1P01A3N7 [1,1,0,0,0,0|2,0,0]=4 1715 B7R0.3 ClCCCC(CN)Cl 1P003GE8 [1,1,0,0,0,0|2,0,0]=4 1716 B7R0.3 ClCCCN(CC)C 1P00J2I9 [1,1,0,0,0,0|2,0,0]=4 1717 B7R0.3 ICCCC(=O)CC 1P0292M5 [1,1,0,0,0,0|1,0,1]=4 1718 B7R0.3 NC(CO)CCC=C 1P003YA9 [1,1,0,0,0,0|0,0,2]=4 1719 B7R0.3 NCC(CCOC)N 1P01FJCW [1,1,0,0,0,0|2,0,0]=4 1720 B7R0.3 NCC(CCSC)N 1P01A4TF [1,1,0,0,0,0|2,0,0]=4 1721 B7R0.3 NCCCC(CC)O 1P01AEDS [1,1,0,0,0,0|1,0,0]=3 1722 B7R0.3 NCCCC(CC)O 1P01AL9N [1,1,0,0,0,0|1,0,0]=3 1723 B7R0.3 NCCCC(CN)C 1P001O67 [1,1,0,0,0,0|2,0,0]=4 1724 B7R0.3 NCCCC(CO)C 1P01A3F4 [1,1,0,0,0,0|1,0,0]=3 1725 B7R0.3 NCCCC(CO)O 1P0079Z5 [1,1,0,0,0,0|1,0,0]=3 1726 B7R0.3 OCCCC(CC)C 1P005IA8 [1,1,0,0,0,0|0,0,0]=2 1727 B7R0.3 OCCCC(CC)N 1P01EMRN [1,1,0,0,0,0|0,0,0]=2 1728 B7R0.3 OCCCC(CC)O 1P001V9W [1,1,0,0,0,0|0,0,0]=2 1729 B7R0.3 OCCCC(CN)C 1P01ANWP [1,1,0,0,0,0|1,0,0]=3 1730 B7R0.3 OCCCC(CO)C 1P0071T5 [1,1,0,0,0,0|1,0,0]=3 1731 B7R0.3 OCCCC(CO)N 1P00BLI5 [1,1,0,0,0,0|1,0,0]=3 1732 B7R0.3 OCCCC(CO)O 1P003DS5 [1,1,0,0,0,0|1,0,0]=3 1733 B7R0.3 OCCCN(CC)C 1P00DD5J [1,1,0,0,0,0|1,0,0]=3 1734 B7R0.3 OCCC[C@@H](CN)O 1P028ASN [1,1,0,0,0,0|1,0,0]=3 1735 B7R0.3 OCCC[C@@H](CO)N 1P028S2F [1,1,0,0,0,0|1,0,0]=3 1736 B7R0.3 OCCC[C@H](CN)C 1P01KYDD [1,1,0,0,0,0|1,0,0]=3 1737 B7R0.3 OCCC[C@H](CN)C 1P024H7Z [1,1,0,0,0,0|1,0,0]=3 1738 B7R0.3 OCCC[C@H](CO)N 1P028Y8G [1,1,0,0,0,0|1,0,0]=3 1739 B7R0.3 OCCNC(=O)CC 1P0024IT [1,1,0,0,0,0|1,0,1]=4 1740 B7R0.3 OCCNC(CC)C 1P007EEJ [1,1,0,0,0,0|1,0,0]=3 1741 B7R0.3 OCCOC(=O)CC 1P002P1Q [1,1,0,0,0,0|0,0,1]=3 1742 B7R0.3 OCCOC(CN)C 1P027W0B [1,1,0,0,0,0|1,0,0]=3 1743 B7R0.4 BrCCCCB(O)O 1P003CBH [1,1,0,0,0,0|2,0,0]=4 1744 B7R0.4 BrCCCCC(=C)C 1P028CFP [1,1,0,0,0,0|1,0,1]=4 1745 B7R0.4 BrCCCCC(=O)C 1P0007J6 [1,1,0,0,0,0|1,0,1]=4 1746 B7R0.4 BrCCCCC(=O)O 1P002J3W [1,1,0,0,0,0|1,0,1]=4 1747 B7R0.4 BrCCCCC(C)C 1P003EM1 [1,1,0,0,0,0|1,0,0]=3 1748 B7R0.4 BrCCCCC(F)F 1P028I9G [1,1,0,0,0,0|2,0,0]=4 1749 B7R0.4 BrCCCCN(C)C 1P019RGG [1,1,0,0,0,0|2,0,0]=4 1750 B7R0.4 BrCCCOC(C)C 1P01BL5Y [1,1,0,0,0,0|1,0,0]=3 1751 B7R0.4 BrCCCOC(F)F 1P02801N [1,1,0,0,0,0|2,0,0]=4 1752 B7R0.4 BrCCOCC(=O)O 1P00HD6T [1,1,0,0,0,0|1,0,1]=4 1753 B7R0.4 BrCCOCC(C)C 1P01B1X4 [1,1,0,0,0,0|1,0,0]=3 1754 B7R0.4 BrCCOCC(F)F 1P01B22H [1,1,0,0,0,0|2,0,0]=4 1755 B7R0.4 C#CCCCC(O)C 1P007NZ8 [1,1,0,0,0,0|0,0,2]=4 1756 B7R0.4 C#CCCC[C@H](O)C 1P01IWL6 [1,1,0,0,0,0|0,0,2]=4 1757 B7R0.4 C#CCOCC(O)C 1P003U7G [1,1,0,0,0,0|0,0,2]=4 1758 B7R0.4 C=CCCCC(N)C 1P01A557 [1,1,0,0,0,0|1,0,1]=4 1759 B7R0.4 C=CCCCC(O)C 1P00BJLZ [1,1,0,0,0,0|0,0,2]=4 1760 B7R0.4 C=CCOCC(O)C 1P00CBSR [1,1,0,0,0,0|0,0,2]=4 1761 B7R0.4 CC(=O)NCCCO 1P009RY1 [1,1,0,0,0,0|1,0,1]=4 1762 B7R0.4 CC(=O)OCCCCl 1P003JS4 [1,1,0,0,0,0|1,0,1]=4 1763 B7R0.4 CC(=O)OCCCI 1P00EKA4 [1,1,0,0,0,0|1,0,1]=4 1764 B7R0.4 CC(=O)SCCCO 1P01DU4A [1,1,0,0,0,0|1,0,1]=4 1765 B7R0.4 CC(CCON=O)C 1P0038PB [1,1,0,0,0,0|1,0,1]=4 1766 B7R0.4 CC(OCCC#N)C 1P008RM1 [1,1,0,0,0,0|1,0,1]=4 1767 B7R0.4 CCCCCB(O)O 1P003TRG [1,1,0,0,0,0|1,0,0]=3 1768 B7R0.4 CCCCCC(=N)N 1P00J1UF [1,1,0,0,0,0|1,0,1]=4 1769 B7R0.4 CCCCCC(=N)N 1P028M17 [1,1,0,0,0,0|1,0,1]=4 1770 B7R0.4 CCCCCC(=O)C 1P0033SO [1,1,0,0,0,0|0,0,2]=4 1771 B7R0.4 CCCCCC(=O)Cl 1P003RDM [1,1,0,0,0,0|0,0,2]=4 1772 B7R0.4 CCCCCC(=O)N 1P003RDF [1,1,0,0,0,0|0,0,2]=4 1773 B7R0.4 CCCCCC(=O)O 1P0035GM [1,1,0,0,0,0|0,0,1]=3 1774 B7R0.4 CCCCCC(=O)[O-] 1P0002NZ [1,1,0,0,0,0|0,0,2]=4 1775 B7R0.4 CCCCCC(=S)N 1P001WHQ [1,1,0,0,0,0|0,1,1]=4 1776 B7R0.4 CCCCCC(C)C 1P003I61 [1,1,0,0,0,0|1,0,0]=3 1777 B7R0.4 CCCCCC(N)C 1P000KEH [1,1,0,0,0,0|1,0,0]=3 1778 B7R0.4 CCCCCC(O)C 1P00DX8F [1,1,0,0,0,0|0,0,0]=2 1779 B7R0.4 CCCCCN(C)C 1P028LRM [1,1,0,0,0,0|2,0,0]=4 1780 B7R0.4 CCCCC[C@@H](O)C 1P003CX9 [1,1,0,0,0,0|0,0,0]=2 1781 B7R0.4 CCCCC[C@H](O)C 1P003CKJ [1,1,0,0,0,0|0,0,0]=2 1782 B7R0.4 CCCCC[N+](=O)[O-] 1P00EG5W [1,1,0,0,0,0|1,0,1]=4 1783 B7R0.4 CCCCNC(=O)C 1P007VII [1,1,0,0,0,0|1,0,1]=4 1784 B7R0.4 CCCCNC(C)C 1P0076ZL [1,1,0,0,0,0|1,0,0]=3 1785 B7R0.4 CCCCOC(=O)C 1P000KEE [1,1,0,0,0,0|0,0,1]=3 1786 B7R0.4 CCCCOC(=O)N 1P003TBD [1,1,0,0,0,0|0,0,2]=4 1787 B7R0.4 CCCCOC(=S)S 1P003UCL [1,1,0,0,0,0|0,1,1]=4 1788 B7R0.4 CCCCOC(C)C 1P00B4WT [1,1,0,0,0,0|0,0,0]=2 1789 B7R0.4 CCCCOC(Cl)Cl 1P003PUG [1,1,0,0,0,0|1,0,0]=3 1790 B7R0.4 CCCCSC(=O)C 1P003UQS [1,1,0,0,0,0|0,1,1]=4 1791 B7R0.4 CCCNCC(=O)O 1P019WR9 [1,1,0,0,0,0|1,0,1]=4 1792 B7R0.4 CCCNCC(C)C 1P00CLO1 [1,1,0,0,0,0|2,0,0]=4 1793 B7R0.4 CCCNCC(F)F 1P01A8RA [1,1,0,0,0,0|2,0,0]=4 1794 B7R0.4 CCCOCC(=O)O 1P00DDPU [1,1,0,0,0,0|0,0,1]=3 1795 B7R0.4 CCCOCC(O)C 1P001PJO [1,1,0,0,0,0|0,0,0]=2 1796 B7R0.4 CCCSCC(=O)O 1P002AXA [1,1,0,0,0,0|0,1,1]=4 1797 B7R0.4 CCNCCC(=O)O 1P019WSK [1,1,0,0,0,0|1,0,1]=4 1798 B7R0.4 CCNCCN(C)C 1P003T24 [1,1,0,0,0,0|2,0,0]=4 1799 B7R0.4 CCOCC=C(C)C 1P007Q3A [1,1,0,0,0,0|0,0,2]=4 1800 B7R0.4 CCOCCC(=N)N 1P01ABN3 [1,1,0,0,0,0|1,0,1]=4 1801 B7R0.4 CCOCCC(=O)O 1P003JUP [1,1,0,0,0,0|1,0,1]=4 1802 B7R0.4 CCOCCN(C)C 1P002T4E [1,1,0,0,0,0|1,0,0]=3 1803 B7R0.4 CCOCC[C@@H](N)C 1P027VGQ [1,1,0,0,0,0|0,0,0]=2 1804 B7R0.4 CCOCC[C@H](N)C 1P027VGC [1,1,0,0,0,0|0,0,0]=2 1805 B7R0.4 CCSCCC(=O)O 1P00FDIY [1,1,0,0,0,0|1,0,1]=4 1806 B7R0.4 CCSCCC(N)C 1P019TG8 [1,1,0,0,0,0|0,1,0]=3 1807 B7R0.4 CNCCCC(=O)O 1P0034AB [1,1,0,0,0,0|1,0,1]=4 1808 B7R0.4 CNCCCC(=O)O 1P007DUH [1,1,0,0,0,0|1,0,1]=4 1809 B7R0.4 CNCCCC(C)C 1P00VV05 [1,1,0,0,0,0|2,0,0]=4 1810 B7R0.4 CNCCCC(C)C 1P01FKWG [1,1,0,0,0,0|2,0,0]=4 1811 B7R0.4 CNCCCC(O)C 1P003ZKV [1,1,0,0,0,0|1,0,0]=3 1812 B7R0.4 CNCCOC(C)C 1P028ISB [1,1,0,0,0,0|1,0,0]=3 1813 B7R0.4 CNCCOC(F)F 1P0287V2 [1,1,0,0,0,0|2,0,0]=4 1814 B7R0.4 COCCCB(O)O 1P01ADVX [1,1,0,0,0,0|2,0,0]=4 1815 B7R0.4 COCCCC(=O)O 1P002VN5 [1,1,0,0,0,0|1,0,1]=4 1816 B7R0.4 COCCCC(Cl)C 1P01A1Q7 [1,1,0,0,0,0|2,0,0]=4 1817 B7R0.4 CONCCC(C)C 1P01A11V [1,1,0,0,0,0|2,0,0]=4 1818 B7R0.4 CSCCCC(=O)O 1P00MDZI [1,1,0,0,0,0|1,0,1]=4 1819 B7R0.4 ClCCCCB(O)O 1P0291HM [1,1,0,0,0,0|2,0,0]=4 1820 B7R0.4 ClCCCCC(=O)C 1P0007J5 [1,1,0,0,0,0|1,0,1]=4 1821 B7R0.4 ClCCCCC(=O)O 1P0034Q2 [1,1,0,0,0,0|1,0,1]=4 1822 B7R0.4 ClCCCCC(Cl)C 1P01DI9T [1,1,0,0,0,0|1,0,0]=3 1823 B7R0.4 ClCCCCN(C)C 1P01A1HS [1,1,0,0,0,0|2,0,0]=4 1824 B7R0.4 ClCCCOC(C)C 1P00FD05 [1,1,0,0,0,0|1,0,0]=3 1825 B7R0.4 ClCCNCC(Cl)C 1P01BCEC [1,1,0,0,0,0|2,0,0]=4 1826 B7R0.4 ClCCOCC(=O)O 1P001LKW [1,1,0,0,0,0|1,0,1]=4 1827 B7R0.4 ClCCOCC(C)C 1P01Q2DJ [1,1,0,0,0,0|1,0,0]=3 1828 B7R0.4 ClCCOCC(F)F 1P01DVOS [1,1,0,0,0,0|2,0,0]=4 1829 B7R0.4 ClCCSCC(C)C 1P01A2YZ [1,1,0,0,0,0|1,1,0]=4 1830 B7R0.4 FCCNC[C@@H](O)C 1P028D42 [1,1,0,0,0,0|2,0,0]=4 1831 B7R0.4 FCCOCC(=O)O 1P028UIA [1,1,0,0,0,0|1,0,1]=4 1832 B7R0.4 ICCCCC(=O)O 1P027L56 [1,1,0,0,0,0|1,0,1]=4 1833 B7R0.4 NCCCCC(=O)O 1P00390H [1,1,0,0,0,0|1,0,1]=4 1834 B7R0.4 NCCCCC(=O)O 1P003MVH [1,1,0,0,0,0|1,0,1]=4 1835 B7R0.4 NCCCCC(=O)O 1P00HZV1 [1,1,0,0,0,0|1,0,1]=4 1836 B7R0.4 NCCCCC(=O)O 1P01FNTV [1,1,0,0,0,0|1,0,1]=4 1837 B7R0.4 NCCCCC(C)C 1P00PX4E [1,1,0,0,0,0|1,0,0]=3 1838 B7R0.4 NCCCCC(C)C 1P01AKOS [1,1,0,0,0,0|1,0,0]=3 1839 B7R0.4 NCCCCC(F)F 1P023ZIT [1,1,0,0,0,0|2,0,0]=4 1840 B7R0.4 NCCCCC(N)C 1P01BCWK [1,1,0,0,0,0|1,0,0]=3 1841 B7R0.4 NCCCCN(C)C 1P00BXUJ [1,1,0,0,0,0|2,0,0]=4 1842 B7R0.4 NCCCNC(C)C 1P003TL9 [1,1,0,0,0,0|2,0,0]=4 1843 B7R0.4 NCCCOC(C)C 1P002XOS [1,1,0,0,0,0|1,0,0]=3 1844 B7R0.4 NCCCOC(C)C 1P019M1W [1,1,0,0,0,0|1,0,0]=3 1845 B7R0.4 NCCCOC(F)F 1P01B21R [1,1,0,0,0,0|2,0,0]=4 1846 B7R0.4 NCCNCC(O)C 1P000KEG [1,1,0,0,0,0|2,0,0]=4 1847 B7R0.4 NCCOCC(=C)C 1P01A0MM [1,1,0,0,0,0|1,0,1]=4 1848 B7R0.4 NCCOCC(=O)O 1P01A76U [1,1,0,0,0,0|1,0,1]=4 1849 B7R0.4 NCCOCC(C)C 1P00918F [1,1,0,0,0,0|1,0,0]=3 1850 B7R0.4 NCCOCC(C)C 1P01A7TA [1,1,0,0,0,0|1,0,0]=3 1851 B7R0.4 NCCOCC(F)F 1P01BD69 [1,1,0,0,0,0|2,0,0]=4 1852 B7R0.4 NCCSCC(C)C 1P01A35F [1,1,0,0,0,0|1,1,0]=4 1853 B7R0.4 NNCCOC(C)C 1P01A5BZ [1,1,0,0,0,0|2,0,0]=4 1854 B7R0.4 NOCCCC(O)C 1P028EAZ [1,1,0,0,0,0|2,0,0]=4 1855 B7R0.4 NOCCOC(C)C 1P01ALKU [1,1,0,0,0,0|2,0,0]=4 1856 B7R0.4 OCC=CCC(C)C 1P0288PH [1,1,0,0,0,0|0,0,2]=4 1857 B7R0.4 OCCCCC(=O)C 1P00BGAI [1,1,0,0,0,0|0,0,1]=3 1858 B7R0.4 OCCCCC(=O)N 1P002ZKN [1,1,0,0,0,0|1,0,1]=4 1859 B7R0.4 OCCCCC(=O)[O-] 1P003ALZ [1,1,0,0,0,0|1,0,1]=4 1860 B7R0.4 OCCCCC(=O)[O-] 1P01AA46 [1,1,0,0,0,0|1,0,1]=4 1861 B7R0.4 OCCCCC(Br)C 1P021RP8 [1,1,0,0,0,0|0,0,0]=2 1862 B7R0.4 OCCCCC(C)C 1P003NCP [1,1,0,0,0,0|0,0,0]=2 1863 B7R0.4 OCCCCC(F)F 1P028ZJ1 [1,1,0,0,0,0|1,0,0]=3 1864 B7R0.4 OCCCCC(N)C 1P01ANVS [1,1,0,0,0,0|0,0,0]=2 1865 B7R0.4 OCCCCC(O)C 1P003E7I [1,1,0,0,0,0|0,0,0]=2 1866 B7R0.4 OCCCCN(C)C 1P00151I [1,1,0,0,0,0|1,0,0]=3 1867 B7R0.4 OCCCNC(C)C 1P003IP4 [1,1,0,0,0,0|1,0,0]=3 1868 B7R0.4 OCCCNC(C)C 1P00J3ID [1,1,0,0,0,0|1,0,0]=3 1869 B7R0.4 OCCCOC(C)C 1P008VPF [1,1,0,0,0,0|1,0,0]=3 1870 B7R0.4 OCCNCC(C)C 1P00J2D1 [1,1,0,0,0,0|1,0,0]=3 1871 B7R0.4 OCCNCC(F)F 1P019UFP [1,1,0,0,0,0|2,0,0]=4 1872 B7R0.4 OCCNCC(O)C 1P006OWY [1,1,0,0,0,0|1,0,0]=3 1873 B7R0.4 OCCOCC(=O)N 1P000KEF [1,1,0,0,0,0|1,0,1]=4 1874 B7R0.4 OCCOCC(=O)O 1P0080QG [1,1,0,0,0,0|1,0,1]=4 1875 B7R0.4 OCCOCC(=O)[O-] 1P001I37 [1,1,0,0,0,0|1,0,1]=4 1876 B7R0.4 OCCOCC(C)C 1P003QZ6 [1,1,0,0,0,0|0,0,0]=2 1877 B7R0.4 OCCOCC(F)F 1P00G63D [1,1,0,0,0,0|1,0,0]=3 1878 B7R0.4 SCCCCC(=O)O 1P002ZTK [1,1,0,0,0,0|1,0,1]=4 1879 B7R0.4 SCCCOC(C)C 1P0290DX [1,1,0,0,0,0|1,0,0]=3 1880 B7R0.4 SCCOCC(F)F 1P028M9D [1,1,0,0,0,0|1,1,0]=4 1881 B7R0.7 BrCCC(=O)OCC 1P0035BI [1,1,0,0,0,0|1,0,1]=4 1882 B7R0.7 BrCCC(CCBr)C 1P003E6O [1,1,0,0,0,0|2,0,0]=4 1883 B7R0.7 CCCC(=C)CCO 1P028FMM [1,1,0,0,0,0|0,0,1]=3 1884 B7R0.7 CCCC(=N)OCC 1P00JTEH [1,1,0,0,0,0|0,0,1]=3 1885 B7R0.7 CCCC(=O)CCC 1P000KD4 [1,1,0,0,0,0|1,0,1]=4 1886 B7R0.7 CCCC(=O)CCN 1P028CRC [1,1,0,0,0,0|1,0,1]=4 1887 B7R0.7 CCCC(=O)OCBr 1P0289LM [1,1,0,0,0,0|1,0,1]=4 1888 B7R0.7 CCCC(=O)OCC 1P00351H [1,1,0,0,0,0|0,0,1]=3 1889 B7R0.7 CCCC(=O)OCCl 1P007D9T [1,1,0,0,0,0|1,0,1]=4 1890 B7R0.7 CCCC(CC=C)O 1P003EU9 [1,1,0,0,0,0|1,0,1]=4 1891 B7R0.7 CCCC(CC=O)C 1P002GOG [1,1,0,0,0,0|0,0,2]=4 1892 B7R0.7 CCCC(CCBr)Br 1P01JTVR [1,1,0,0,0,0|1,0,0]=3 1893 B7R0.7 CCCC(CCC)Br 1P003LGL [1,1,0,0,0,0|1,0,0]=3 1894 B7R0.7 CCCC(CCC)C 1P003M8N [1,1,0,0,0,0|1,0,0]=3 1895 B7R0.7 CCCC(CCC)N 1P001XW6 [1,1,0,0,0,0|1,0,0]=3 1896 B7R0.7 CCCC(CCC)O 1P003LXE [1,1,0,0,0,0|1,0,0]=3 1897 B7R0.7 CCCC(CCC)S 1P01A89D [1,1,0,0,0,0|1,0,0]=3 1898 B7R0.7 CCCC(CCO)C 1P0010Z8 [1,1,0,0,0,0|0,0,0]=2 1899 B7R0.7 CCCC(CCO)N 1P005O4J [1,1,0,0,0,0|0,0,0]=2 1900 B7R0.7 CCCC(CCO)O 1P00BTGZ [1,1,0,0,0,0|0,0,0]=2 1901 B7R0.7 CCCC(CCO)S 1P003K2X [1,1,0,0,0,0|0,0,0]=2 1902 B7R0.7 CCCC(CNC)C 1P01FKWE [1,1,0,0,0,0|2,0,0]=4 1903 B7R0.7 CCCC(OCC)C 1P0023IU [1,1,0,0,0,0|0,0,0]=2 1904 B7R0.7 CCCN(CCC)C 1P003TO7 [1,1,0,0,0,0|2,0,0]=4 1905 B7R0.7 CCCN(CCN)C 1P01B6O9 [1,1,0,0,0,0|2,0,0]=4 1906 B7R0.7 CCC[C@@H](CCO)N 1P00FEK2 [1,1,0,0,0,0|0,0,0]=2 1907 B7R0.7 CCC[C@H](CCO)N 1P01JS6F [1,1,0,0,0,0|0,0,0]=2 1908 B7R0.7 CCNC(=O)OCC 1P003QWP [1,1,0,0,0,0|1,0,1]=4 1909 B7R0.7 CCOC(=O)OCC 1P00356U [1,1,0,0,0,0|1,0,1]=4 1910 B7R0.7 CCOC(=S)SCC 1P00E9ND [1,1,0,0,0,0|1,0,1]=4 1911 B7R0.7 CCOC(OCC)C 1P003O2W [1,1,0,0,0,0|1,0,0]=3 1912 B7R0.7 CCOP(OCC)O 1P003PYY [1,1,0,0,0,0|2,0,0]=4 1913 B7R0.7 CNCC(=O)OCC 1P0010IK [1,1,0,0,0,0|1,0,1]=4 1914 B7R0.7 CNCC(=O)OCC 1P0037KZ [1,1,0,0,0,0|1,0,1]=4 1915 B7R0.7 CNCC(CCO)C 1P02835R [1,1,0,0,0,0|1,0,0]=3 1916 B7R0.7 CNCC(CCO)O 1P0283F3 [1,1,0,0,0,0|1,0,0]=3 1917 B7R0.7 CNCC(OCC)C 1P004795 [1,1,0,0,0,0|1,0,0]=3 1918 B7R0.7 COCC(=N)OCC 1P01EIR8 [1,1,0,0,0,0|1,0,1]=4 1919 B7R0.7 COCC(=O)OCC 1P003QWG [1,1,0,0,0,0|1,0,1]=4 1920 B7R0.7 COCC(CCN)O 1P01A40K [1,1,0,0,0,0|2,0,0]=4 1921 B7R0.7 COCC(CCO)C 1P01B2MQ [1,1,0,0,0,0|1,0,0]=3 1922 B7R0.7 COCC(CCO)N 1P018STF [1,1,0,0,0,0|1,0,0]=3 1923 B7R0.7 COCC(NCC)C 1P019MEW [1,1,0,0,0,0|2,0,0]=4 1924 B7R0.7 COCC(NCC)C 1P019NIR [1,1,0,0,0,0|2,0,0]=4 1925 B7R0.7 CSCC(=N)OCC 1P028M5K [1,1,0,0,0,0|1,0,1]=4 1926 B7R0.7 CSCC(=O)OCC 1P00DEUP [1,1,0,0,0,0|1,0,1]=4 1927 B7R0.7 CSCC(CCO)N 1P018SSM [1,1,0,0,0,0|1,0,0]=3 1928 B7R0.7 ClCCC(=N)OCC 1P00C39N [1,1,0,0,0,0|1,0,1]=4 1929 B7R0.7 ClCCC(=O)OCC 1P0037NW [1,1,0,0,0,0|1,0,1]=4 1930 B7R0.7 ICCC(=O)OCC 1P003QOM [1,1,0,0,0,0|1,0,1]=4 1931 B7R0.7 NCCC(=O)OCC 1P003QNU [1,1,0,0,0,0|1,0,1]=4 1932 B7R0.7 NCCC(CCN)N 1P028ZVA [1,1,0,0,0,0|2,0,0]=4 1933 B7R0.7 NCCC(CCN)O 1P028VWF [1,1,0,0,0,0|2,0,0]=4 1934 B7R0.7 NCCC(OCC)C 1P028T42 [1,1,0,0,0,0|1,0,0]=3 1935 B7R0.7 NCCN(CCO)C 1P00EERP [1,1,0,0,0,0|2,0,0]=4 1936 B7R0.7 NCC[C@H](CCO)O 1P02836B [1,1,0,0,0,0|1,0,0]=3 1937 B7R0.7 OCCC(=O)CCCl 1P027TLK [1,1,0,0,0,0|1,0,1]=4 1938 B7R0.7 OCCC(=O)CCO 1P00BZ06 [1,1,0,0,0,0|1,0,1]=4 1939 B7R0.7 OCCC(=O)NCC 1P01BB4T [1,1,0,0,0,0|1,0,1]=4 1940 B7R0.7 OCCC(=O)OCC 1P0035BL [1,1,0,0,0,0|1,0,1]=4 1941 B7R0.7 OCCC(CCO)C 1P00347M [1,1,0,0,0,0|1,0,0]=3 1942 B7R0.7 OCCC(CCO)O 1P00DDUY [1,1,0,0,0,0|1,0,0]=3 1943 B7R0.7 OCCC(NCC)C 1P005GLM [1,1,0,0,0,0|1,0,0]=3 1944 B7R0.7 OCCN(CCF)C 1P028JAP [1,1,0,0,0,0|2,0,0]=4 1945 B7R0.7 OCCN(CCO)C 1P0035V1 [1,1,0,0,0,0|2,0,0]=4 1946 B7R0.7 OCCN(CCO)C 1P0039OU [1,1,0,0,0,0|2,0,0]=4 1947 B7R0.7 OCCS(=O)CCO 1P00BE4F [1,1,0,0,0,0|1,1,0]=4 1948 B7R0.7 SCCC(=O)OCC 1P003QOP [1,1,0,0,0,0|1,0,1]=4 1949 B9R0.4 CCCCC(CC(=O)O)C 1P00DEMS [0,2,0,0,0,0|1,0,1]=4 1950 B9R0.4 CCCCC(CC(=O)O)N 1P003JEA [0,2,0,0,0,0|1,0,1]=4 1951 B9R0.4 CCCCC(CC(=O)O)O 1P0021PJ [0,2,0,0,0,0|1,0,1]=4 1952 B9R0.4 CCCCC(CC(C)C)C 1P00CVUW [0,2,0,0,0,0|2,0,0]=4 1953 B9R0.4 CCCCN(C[C@@H](N)C)C 1P01BC9B [0,2,0,0,0,0|2,0,0]=4 1954 B9R0.4 CCCC[C@@H](CC(=O)O)C 1P00E9G5 [0,2,0,0,0,0|1,0,1]=4 1955 B9R0.4 CCCC[C@@H](CC(=O)O)N 1P028ZHI [0,2,0,0,0,0|1,0,1]=4 1956 B9R0.4 CCCC[C@H](CC(=O)O)N 1P01C415 [0,2,0,0,0,0|1,0,1]=4 1957 B9R0.4 OCCCC(CC(C)C)C 1P003L0D [0,2,0,0,0,0|1,0,0]=3 1958 B9R0.4 OCCOC(=O)CC(=O)C 1P01HEE7 [0,2,0,0,0,0|0,0,2]=4 1959 B9R0.4 OCCOC(=O)CC(C)C 1P01HVM4 [0,2,0,0,0,0|0,0,1]=3 1960 B9R0.5 BrCCOCC(=O)OCC 1P00JSUE [0,2,0,0,0,0|1,0,1]=4 1961 B9R0.5 CCCCCC(=CCO)C 1P028SJY [0,2,0,0,0,0|1,0,1]=4 1962 B9R0.5 CCCCCC(CCC)C 1P003M8X [0,2,0,0,0,0|2,0,0]=4 1963 B9R0.5 CCCCCC(CCC)O 1P003MDW [0,2,0,0,0,0|2,0,0]=4 1964 B9R0.5 CCCCCC(CCO)O 1P002NOK [0,2,0,0,0,0|1,0,0]=3 1965 B9R0.5 CCCCNC(=O)CCC 1P0008GT [0,2,0,0,0,0|2,0,0]=4 1966 B9R0.5 CCCCOC(=O)CC#N 1P00IA7S [0,2,0,0,0,0|1,0,1]=4 1967 B9R0.5 CCCCOC(=O)CCS 1P001T9W [0,2,0,0,0,0|0,1,0]=3 1968 B9R0.5 CCCCOC(=O)COC 1P002548 [0,2,0,0,0,0|0,0,1]=3 1969 B9R0.5 CCCCOC(=O)CON 1P01B5IP [0,2,0,0,0,0|0,0,1]=3 1970 B9R0.5 CCCCOC(=O)OCCl 1P00EM35 [0,2,0,0,0,0|1,0,1]=4 1971 B9R0.5 CCCCOC(OCC)C 1P00ERIE [0,2,0,0,0,0|1,0,0]=3 1972 B9R0.5 COCCCN(CCN)C 1P019Q99 [0,2,0,0,0,0|2,0,0]=4 1973 B9R0.5 COCCNC(COC)C 1P019WRE [0,2,0,0,0,0|2,0,0]=4 1974 B9R0.5 ClCCOCC(=O)OCC 1P0036AF [0,2,0,0,0,0|1,0,1]=4 1975 B9R0.5 ICCOCC(=O)OCC 1P020M8V [0,2,0,0,0,0|1,0,1]=4 1976 B9R0.5 NCCCCS(=O)CCO 1P028036 [0,2,0,0,0,0|0,1,0]=3 1977 B9R0.5 NCCOCC(=O)OCC 1P01AV1Y [0,2,0,0,0,0|1,0,1]=4 1978 B9R0.5 OCCCOC(=O)CCO 1P024H5D [0,2,0,0,0,0|1,0,0]=3 1979 B9R0.5 OCCNCC(=O)OCC 1P028RK6 [0,2,0,0,0,0|1,0,1]=4 1980 B9R0.8 CCCCC(C(CC)C)C 1P001R85 [0,2,0,0,0,0|2,0,0]=4 1981 B9R0.8 CCCOC(=O)C(CC)C 1P003TSI [0,2,0,0,0,0|1,0,1]=4 1982 B9R0.8 OCCNC(C(CC)C)C 1P01AYYV [0,2,0,0,0,0|1,0,0]=3 1983 B9R0.8 OCCOC(=O)N(CC)C 1P028H24 [0,2,0,0,0,0|1,0,1]=4 1984 B9R0.18 CCCCC(=O)CCCC 1P003NEA [0,2,0,0,0,0|2,0,0]=4 1985 B9R0.18 CCCCC(CCCC)Br 1P028G02 [0,2,0,0,0,0|2,0,0]=4 1986 B9R0.18 CCCCC(CCCC)N 1P003MV5 [0,2,0,0,0,0|2,0,0]=4 1987 B9R0.18 CCCCC(CCCC)N 1P0282WA [0,2,0,0,0,0|2,0,0]=4 1988 B9R0.18 CCCCC(CCCC)O 1P003NE9 [0,2,0,0,0,0|2,0,0]=4 1989 B9R0.18 CCCCN(CCCC)C 1P003TO1 [0,2,0,0,0,0|2,0,0]=4 1990 B9R0.18 CCCCS(=O)CCCC 1P003Q4I [0,2,0,0,0,0|1,1,0]=4 1991 B9R0.18 CCCC[Sn](=O)CCCC 1P00362V [0,2,0,0,0,0|2,0,0]=4 1992 B9R0.18 CCCOC(OCCC)C 1P0038PW [0,2,0,0,0,0|1,0,0]=3 1993 B9R0.18 CCCOS(=O)OCCC 1P00EA6E [0,2,0,0,0,0|2,0,0]=4 1994 B9R0.18 COCCC(=O)CCOC 1P00DVFJ [0,2,0,0,0,0|2,0,0]=4 1995 B9R0.18 NCCCN(CCOC)C 1P019NJG [0,2,0,0,0,0|2,0,0]=4 1996 B9R0.18 OCCCN(CCCO)C 1P00BCRK [0,2,0,0,0,0|2,0,0]=4 1997 B9R0.34 NCCN(CC(CC)C)C 1P01BGY5 [0,2,0,0,0,0|2,0,0]=4 1998 B9R0.34 OCCC(CC(CC)C)C 1P000E46 [0,2,0,0,0,0|1,0,0]=3 1999 B9R0.35 CCCC(=O)C(CCC)O 1P003N94 [0,2,0,0,0,0|2,0,0]=4 2000 B9R0.35 CCCC(C(CCC)C)C 1P001R81 [0,2,0,0,0,0|2,0,0]=4 2001 B9R0.35 CCC[C@H]([C@H](CCC)O)O 1P02896F [0,2,0,0,0,0|2,0,0]=4 2002 B9R0.40 CCCCC(CCC)CN 1P019ZHG [0,2,0,0,0,0|2,0,0]=4 2003 B9R0.48 CCCC(=O)OCC(C)C 1P003RJA [0,2,0,0,0,0|1,0,1]=4 2004 B9R0.48 COCC(OCC(O)C)C 1P000QKC [0,2,0,0,0,0|1,0,0]=3 2005 B9R0.48 NCCN(CCC(O)C)C 1P01BGKV [0,2,0,0,0,0|2,0,0]=4 2006 B9R0.48 OCCN(CCN(C)C)C 1P003BMI [0,2,0,0,0,0|2,0,0]=4 2007 B9R0.2 BrCCCCCCB(O)O 1P001LH1 [0,2,0,0,0,0|2,0,0]=4 2008 B9R0.2 BrCCCCCCC(=O)C 1P01IQK0 [0,2,0,0,0,0|2,0,0]=4 2009 B9R0.2 BrCCCCCCC(=O)O 1P0030VL [0,2,0,0,0,0|1,0,1]=4 2010 B9R0.2 C#CCCCOCC(=O)O 1P028IL8 [0,2,0,0,0,0|0,0,2]=4 2011 B9R0.2 CC(=O)NCCOCCBr 1P01ALI2 [0,2,0,0,0,0|1,0,1]=4 2012 B9R0.2 CC(=O)OCCOCCCl 1P006YP5 [0,2,0,0,0,0|1,0,1]=4 2013 B9R0.2 CC(=O)OCCOCCO 1P002KN7 [0,2,0,0,0,0|0,0,1]=3 2014 B9R0.2 CCCCC#CCC(=O)O 1P0202F5 [0,2,0,0,0,0|1,0,1]=4 2015 B9R0.2 CCCCCCCB(O)O 1P00BEA2 [0,2,0,0,0,0|1,0,0]=3 2016 B9R0.2 CCCCCCCC(=O)N 1P003TQ1 [0,2,0,0,0,0|1,0,1]=4 2017 B9R0.2 CCCCCCCC(=O)O 1P000LTK [0,2,0,0,0,0|1,0,0]=3 2018 B9R0.2 CCCCCCCC(=O)O 1P0084UG [0,2,0,0,0,0|1,0,0]=3 2019 B9R0.2 CCCCCCCC(=O)O 1P00C261 [0,2,0,0,0,0|1,0,0]=3 2020 B9R0.2 CCCCCCCC(=O)[O-] 1P002BYU [0,2,0,0,0,0|1,0,1]=4 2021 B9R0.2 CCCCCCCC(=S)O 1P005MUY [0,2,0,0,0,0|1,0,0]=3 2022 B9R0.2 CCCCCCCC(Br)C 1P003H97 [0,2,0,0,0,0|2,0,0]=4 2023 B9R0.2 CCCCCCCC(C)C 1P003I6K [0,2,0,0,0,0|2,0,0]=4 2024 B9R0.2 CCCCCCCC(O)C 1P003TQR [0,2,0,0,0,0|1,0,0]=3 2025 B9R0.2 CCCCCCCN(C)C 1P00DEHQ [0,2,0,0,0,0|2,0,0]=4 2026 B9R0.2 CCCCCCC[13C](=O)O 1P00EB19 [0,2,0,0,0,0|1,0,0]=3 2027 B9R0.2 CCCCCOCC(=O)O 1P01A8CF [0,2,0,0,0,0|0,0,1]=3 2028 B9R0.2 CCCCOCCC(=O)O 1P00FNFX [0,2,0,0,0,0|0,0,0]=2 2029 B9R0.2 CCCCSCCC(=O)O 1P00C2MV [0,2,0,0,0,0|0,1,0]=3 2030 B9R0.2 CCCNCCCN(C)C 1P00VU80 [0,2,0,0,0,0|2,0,0]=4 2031 B9R0.2 CCCOCCCC(=O)O 1P028OX8 [0,2,0,0,0,0|1,0,1]=4 2032 B9R0.2 CCC\C=C/CCC(=O)O 1P007SQR [0,2,0,0,0,0|1,0,1]=4 2033 B9R0.2 CCNCCCCC(=O)O 1P01BKR1 [0,2,0,0,0,0|1,0,1]=4 2034 B9R0.2 CCOCCCCC(=O)O 1P024HT6 [0,2,0,0,0,0|1,0,1]=4 2035 B9R0.2 CCOCCOCC(=O)O 1P0053WB [0,2,0,0,0,0|0,0,1]=3 2036 B9R0.2 CCOCCOCC(O)C 1P019SCC [0,2,0,0,0,0|0,0,0]=2 2037 B9R0.2 CNCCCCCC(=O)O 1P0016VD [0,2,0,0,0,0|1,0,1]=4 2038 B9R0.2 CNCCOCCN(C)C 1P01H3QQ [0,2,0,0,0,0|2,0,0]=4 2039 B9R0.2 COCCCCCC(=O)O 1P00C9GI [0,2,0,0,0,0|1,0,1]=4 2040 B9R0.2 COCCNCCC(=O)O 1P01AH75 [0,2,0,0,0,0|2,0,0]=4 2041 B9R0.2 COCCNCCC(=O)O 1P028TR2 [0,2,0,0,0,0|2,0,0]=4 2042 B9R0.2 COCCNCCC(F)F 1P019ZR9 [0,2,0,0,0,0|2,0,0]=4 2043 B9R0.2 COCCNCCN(C)C 1P00GAK7 [0,2,0,0,0,0|2,0,0]=4 2044 B9R0.2 COCCOCCC(=O)O 1P001MAZ [0,2,0,0,0,0|1,0,0]=3 2045 B9R0.2 COCCOCCC(=S)N 1P01C49B [0,2,0,0,0,0|1,0,1]=4 2046 B9R0.2 CSCCCCCC(=O)O 1P01IG8G [0,2,0,0,0,0|1,0,1]=4 2047 B9R0.2 C[SiH2]CCCCCC(Cl)Cl 1P001FTC [0,2,0,0,0,0|2,0,0]=4 2048 B9R0.2 ClCCCCCC[SiH](C)C 1P00C8PS [0,2,0,0,0,0|2,0,0]=4 2049 B9R0.2 ClCCCSCCC(=O)O 1P01BH4X [0,2,0,0,0,0|1,1,0]=4 2050 B9R0.2 N#CCCNCCC(C)C 1P01AB5G [0,2,0,0,0,0|2,0,0]=4 2051 B9R0.2 N#CCCOCCC(C)C 1P01DWZ9 [0,2,0,0,0,0|1,0,0]=3 2052 B9R0.2 NC(=O)NCCOCCO 1P006YU7 [0,2,0,0,0,0|1,0,1]=4 2053 B9R0.2 NCCCCCCC(=O)C 1P01C3V1 [0,2,0,0,0,0|2,0,0]=4 2054 B9R0.2 NCCCCCCC(=O)O 1P003NTK [0,2,0,0,0,0|1,0,1]=4 2055 B9R0.2 NCCCCCCC(=O)O 1P003NTM [0,2,0,0,0,0|1,0,1]=4 2056 B9R0.2 NCCCCCCN(C)C 1P00AOX4 [0,2,0,0,0,0|2,0,0]=4 2057 B9R0.2 NCCCOCCC(=O)O 1P027U5J [0,2,0,0,0,0|1,0,0]=3 2058 B9R0.2 NCCCOCCC(C)C 1P01DXA0 [0,2,0,0,0,0|1,0,0]=3 2059 B9R0.2 NCCNCCCN(C)C 1P01ZY6F [0,2,0,0,0,0|2,0,0]=4 2060 B9R0.2 NCCOCCNC(C)C 1P01BD8F [0,2,0,0,0,0|1,0,0]=3 2061 B9R0.2 OCCCCCCC(=O)N 1P01QB8W [0,2,0,0,0,0|1,0,1]=4 2062 B9R0.2 OCCCCCCC(=O)O 1P0034V2 [0,2,0,0,0,0|1,0,1]=4 2063 B9R0.2 OCCCCCCC(C)C 1P003NXA [0,2,0,0,0,0|1,0,0]=3 2064 B9R0.2 OCCCCCCN(C)C 1P003NGL [0,2,0,0,0,0|1,0,0]=3 2065 B9R0.2 OCCCCCNC(C)C 1P003MOC [0,2,0,0,0,0|1,0,0]=3 2066 B9R0.2 OCCCCNCC(=O)O 1P00I01L [0,2,0,0,0,0|1,0,1]=4 2067 B9R0.2 OCCCNCCC(=O)O 1P0284KH [0,2,0,0,0,0|2,0,0]=4 2068 B9R0.2 OCCCOCCC(=O)[O-] 1P0286BT [0,2,0,0,0,0|1,0,1]=4 2069 B9R0.2 OCCNCCCC(=O)O 1P01DXNP [0,2,0,0,0,0|1,0,1]=4 2070 B9R0.2 OCCOCCCC(=O)[O-] 1P027VOZ [0,2,0,0,0,0|0,0,1]=3 2071 B9R0.2 OCCOCCNC(C)C 1P01B9TY [0,2,0,0,0,0|0,0,0]=2 2072 B9R0.2 SCCCCCCC(=O)O 1P00E2S1 [0,2,0,0,0,0|1,0,1]=4 2073 B9R0.45 BrCCCCCCCC#C 1P020MVJ [0,2,0,0,0,0|2,0,0]=4 2074 B9R0.45 BrCCCCCCCC=C 1P0036Q8 [0,2,0,0,0,0|2,0,0]=4 2075 B9R0.45 BrCCCCCCCCBr 1P003347 [0,2,0,0,0,0|2,0,0]=4 2076 B9R0.45 BrCCCOCCOCC 1P01AKF0 [0,2,0,0,0,0|1,0,0]=3 2077 B9R0.45 BrCCOCCOCC#C 1P01JM45 [0,2,0,0,0,0|1,0,1]=4 2078 B9R0.45 BrCCOCCOCCBr 1P00BGOQ [0,2,0,0,0,0|1,0,0]=3 2079 B9R0.45 CCC=CCCC=CCO 1P008OOS [0,2,0,0,0,0|1,0,1]=4 2080 B9R0.45 CCCCC#CCCCC 1P003N6H [0,2,0,0,0,0|2,0,0]=4 2081 B9R0.45 CCCCC#CCCCCl 1P003EOW [0,2,0,0,0,0|2,0,0]=4 2082 B9R0.45 CCCCCCCCC#C 1P003EQC [0,2,0,0,0,0|2,0,0]=4 2083 B9R0.45 CCCCCCCCC#N 1P003TQ4 [0,2,0,0,0,0|2,0,0]=4 2084 B9R0.45 CCCCCCCCC=C 1P003EQB [0,2,0,0,0,0|2,0,0]=4 2085 B9R0.45 CCCCCCCCC=O 1P000LU5 [0,2,0,0,0,0|1,0,1]=4 2086 B9R0.45 CCCCCCCCCBr 1P00336X [0,2,0,0,0,0|2,0,0]=4 2087 B9R0.45 CCCCCCCCCC 1P000LU6 [0,2,0,0,0,0|2,0,0]=4 2088 B9R0.45 CCCCCCCCCCl 1P002PQE [0,2,0,0,0,0|2,0,0]=4 2089 B9R0.45 CCCCCCCCCI 1P003EWH [0,2,0,0,0,0|2,0,0]=4 2090 B9R0.45 CCCCCCCCCN 1P003TQZ [0,2,0,0,0,0|2,0,0]=4 2091 B9R0.45 CCCCCCCCCO 1P003F1B [0,2,0,0,0,0|1,0,0]=3 2092 B9R0.45 CCCCCCCCNC 1P003TOZ [0,2,0,0,0,0|2,0,0]=4 2093 B9R0.45 CCCCCCCC[Mg]Br 1P003TQ9 [0,2,0,0,0,0|2,0,0]=4 2094 B9R0.45 CCCCCCCN=C=S 1P003RBU [0,2,0,0,0,0|1,1,0]=4 2095 B9R0.45 CCCCCCCN=[N+]=[N-] 1P01JTIO [0,2,0,0,0,0|2,0,0]=4 2096 B9R0.45 CCCCCCCNC=O 1P00F2XX [0,2,0,0,0,0|1,0,1]=4 2097 B9R0.45 CCCCCCCNCC 1P0035UB [0,2,0,0,0,0|2,0,0]=4 2098 B9R0.45 CCCCCCNCCO 1P00DHAH [0,2,0,0,0,0|1,0,0]=3 2099 B9R0.45 CCCCCCOCCO 1P009Q2T [0,2,0,0,0,0|0,0,0]=2 2100 B9R0.45 CCCCCCOCCS 1P028OWQ [0,2,0,0,0,0|0,1,0]=3 2101 B9R0.45 CCCCCC\C=C/CO 1P003PEU [0,2,0,0,0,0|1,0,0]=3 2102 B9R0.45 CCCCCC\C=C\CO 1P003VD9 [0,2,0,0,0,0|1,0,0]=3 2103 B9R0.45 CCCCCNCCC#N 1P00EAJ2 [0,2,0,0,0,0|2,0,0]=4 2104 B9R0.45 CCCCCNCCC=C 1P028LV9 [0,2,0,0,0,0|2,0,0]=4 2105 B9R0.45 CCCCC\C=C/CCO 1P003PFK [0,2,0,0,0,0|1,0,0]=3 2106 B9R0.45 CCCCC\C=C\CCO 1P00867N [0,2,0,0,0,0|1,0,0]=3 2107 B9R0.45 CCCCNCCCCO 1P003KQG [0,2,0,0,0,0|1,0,0]=3 2108 B9R0.45 CCCCOCCCCO 1P0038BC [0,2,0,0,0,0|0,0,0]=2 2109 B9R0.45 CCCCSSCCCC 1P003P2E [0,2,0,0,0,0|1,1,0]=4 2110 B9R0.45 CCCC\C=C/CCC=O 1P00BH3T [0,2,0,0,0,0|1,0,1]=4 2111 B9R0.45 CCCC\C=C\CCCO 1P001XI5 [0,2,0,0,0,0|1,0,0]=3 2112 B9R0.45 CCCOCCOCCO 1P006H7P [0,2,0,0,0,0|0,0,0]=2 2113 B9R0.45 CCOCCCCOCC 1P003E4X [0,2,0,0,0,0|2,0,0]=4 2114 B9R0.45 CC\C=C/CC\C=C\CO 1P003VB5 [0,2,0,0,0,0|1,0,1]=4 2115 B9R0.45 CNCCCCCCCO 1P027UT7 [0,2,0,0,0,0|1,0,0]=3 2116 B9R0.45 CNCCCCCCNC 1P000VL8 [0,2,0,0,0,0|2,0,0]=4 2117 B9R0.45 CNCCCOCCOC 1P028WU2 [0,2,0,0,0,0|0,0,0]=2 2118 B9R0.45 CNCCOCCCOC 1P01A4YS [0,2,0,0,0,0|1,0,0]=3 2119 B9R0.45 CNCCOCCOCC 1P01B22T [0,2,0,0,0,0|1,0,0]=3 2120 B9R0.45 COCCCCCCOC 1P00107G [0,2,0,0,0,0|1,0,0]=3 2121 B9R0.45 COCCNCCCOC 1P019WQE [0,2,0,0,0,0|1,0,0]=3 2122 B9R0.45 COCCOCCCC#N 1P008CLA [0,2,0,0,0,0|0,0,1]=3 2123 B9R0.45 COCCOCCCCN 1P01A95J [0,2,0,0,0,0|0,0,0]=2 2124 B9R0.45 COCCOCCN=C=O 1P01A0B5 [0,2,0,0,0,0|1,0,1]=4 2125 B9R0.45 COCCOCCN=[N+]=[N-] 1P00I4MV [0,2,0,0,0,0|2,0,0]=4 2126 B9R0.45 COCCOCCNCC 1P01DZNH [0,2,0,0,0,0|0,0,0]=2 2127 B9R0.45 COCCOCCOCC 1P0001OT [0,2,0,0,0,0|0,0,0]=2 2128 B9R0.45 ClCCCCCCCC#C 1P0289WB [0,2,0,0,0,0|2,0,0]=4 2129 B9R0.45 ClCCCCCCCC=C 1P004S8L [0,2,0,0,0,0|2,0,0]=4 2130 B9R0.45 ClCCCCCCCCBr 1P002W8X [0,2,0,0,0,0|2,0,0]=4 2131 B9R0.45 ClCCCCCCCCCl 1P003E8O [0,2,0,0,0,0|2,0,0]=4 2132 B9R0.45 ClCCOCCOCC#C 1P028WGQ [0,2,0,0,0,0|1,0,1]=4 2133 B9R0.45 ClCCOCCOCCCl 1P003BGH [0,2,0,0,0,0|1,0,0]=3 2134 B9R0.45 FCCOCCOCCBr 1P0282QQ [0,2,0,0,0,0|1,0,0]=3 2135 B9R0.45 ICCCCCCCC#C 1P004F6T [0,2,0,0,0,0|2,0,0]=4 2136 B9R0.45 ICCCCCCCCI 1P002PUG [0,2,0,0,0,0|2,0,0]=4 2137 B9R0.45 ICCOCCOCC#C 1P01JM46 [0,2,0,0,0,0|1,0,1]=4 2138 B9R0.45 ICCOCCOCCI 1P003DSR [0,2,0,0,0,0|1,0,0]=3 2139 B9R0.45 NCCCCCCCC#C 1P027V20 [0,2,0,0,0,0|2,0,0]=4 2140 B9R0.45 NCCCCCCCC=C 1P01BCF4 [0,2,0,0,0,0|2,0,0]=4 2141 B9R0.45 NCCCCCCCCN 1P003E8L [0,2,0,0,0,0|2,0,0]=4 2142 B9R0.45 NCCCCCCCCO 1P002ESB [0,2,0,0,0,0|1,0,0]=3 2143 B9R0.45 NCCCCCCCCO 1P028H2N [0,2,0,0,0,0|1,0,0]=3 2144 B9R0.45 NCCCNCCCCN 1P000LU4 [0,2,0,0,0,0|2,0,0]=4 2145 B9R0.45 NCCCNCCCCN 1P002N7T [0,2,0,0,0,0|2,0,0]=4 2146 B9R0.45 NCCCNCCCCN 1P003UVI [0,2,0,0,0,0|2,0,0]=4 2147 B9R0.45 NCCCNCCCCN 1P007FTY [0,2,0,0,0,0|2,0,0]=4 2148 B9R0.45 NCCNCCCCCO 1P024I6J [0,2,0,0,0,0|1,0,0]=3 2149 B9R0.45 NCCNCCNCCN 1P003VIN [0,2,0,0,0,0|2,0,0]=4 2150 B9R0.45 NCCNCCNCCN 1P00DAO3 [0,2,0,0,0,0|2,0,0]=4 2151 B9R0.45 NCCNCCNCCN 1P00HCSX [0,2,0,0,0,0|2,0,0]=4 2152 B9R0.45 NCCNCCNCCO 1P00AQMR [0,2,0,0,0,0|1,0,0]=3 2153 B9R0.45 NCCNCCOCCO 1P01ANJL [0,2,0,0,0,0|0,0,0]=2 2154 B9R0.45 NCCOCCOCC#C 1P00IIN9 [0,2,0,0,0,0|1,0,1]=4 2155 B9R0.45 NCCOCCOCCN 1P0067K4 [0,2,0,0,0,0|1,0,0]=3 2156 B9R0.45 NCCOCCOCCO 1P00391D [0,2,0,0,0,0|0,0,0]=2 2157 B9R0.45 O=CCCCCOCC#C 1P024VCT [0,2,0,0,0,0|1,0,1]=4 2158 B9R0.45 OCCCC#CCCCO 1P028LGQ [0,2,0,0,0,0|1,0,1]=4 2159 B9R0.45 OCCCCCCC#CI 1P01JPUE [0,2,0,0,0,0|1,0,1]=4 2160 B9R0.45 OCCCCCCCC#C 1P0005EG [0,2,0,0,0,0|1,0,0]=3 2161 B9R0.45 OCCCCCCCC=C 1P000UT0 [0,2,0,0,0,0|1,0,0]=3 2162 B9R0.45 OCCCCCCCC=O 1P007QFH [0,2,0,0,0,0|1,0,0]=3 2163 B9R0.45 OCCCCCCCCBr 1P0034VD [0,2,0,0,0,0|1,0,0]=3 2164 B9R0.45 OCCCCCCCCCl 1P002MSB [0,2,0,0,0,0|1,0,0]=3 2165 B9R0.45 OCCCCCCCCO 1P003E90 [0,2,0,0,0,0|1,0,0]=3 2166 B9R0.45 OCCCCCCN=[N+]=[N-] 1P001EBD [0,2,0,0,0,0|2,0,0]=4 2167 B9R0.45 OCCCCCOCCO 1P028MN6 [0,2,0,0,0,0|0,0,0]=2 2168 B9R0.45 OCCCCC\C=C/CC 1P003PGA [0,2,0,0,0,0|1,0,0]=3 2169 B9R0.45 OCCCSSCCCO 1P00BN9Q [0,2,0,0,0,0|1,1,0]=4 2170 B9R0.45 OCCNCCNCCO 1P003SXX [0,2,0,0,0,0|1,0,0]=3 2171 B9R0.45 OCCNCCOCCO 1P00DTT2 [0,2,0,0,0,0|0,0,0]=2 2172 B9R0.45 OCCOCCOCC#C 1P00FI4K [0,2,0,0,0,0|0,0,1]=3 2173 B9R0.45 OCCOCCOCC=C 1P001NB5 [0,2,0,0,0,0|0,0,1]=3 2174 B9R0.45 OCCOCCOCCBr 1P00ECRC [0,2,0,0,0,0|0,0,0]=2 2175 B9R0.45 OCCOCCOCCCl 1P00394X [0,2,0,0,0,0|0,0,0]=2 2176 B9R0.45 OCCOCCOCCF 1P0033J3 [0,2,0,0,0,0|0,0,0]=2 2177 B9R0.45 OCCOCCOCCO 1P001Y7A [0,2,0,0,0,0|0,0,0]=2 2178 B9R0.45 OCCOCCOCCO 1P0036GB [0,2,0,0,0,0|0,0,0]=2 2179 B9R0.45 OCCOCCOCCO 1P005N11 [0,2,0,0,0,0|0,0,0]=2 2180 B9R0.45 OCCOCCOCCO 1P009OGO [0,2,0,0,0,0|0,0,0]=2 2181 B9R0.45 OCCOCCOCCS 1P00DFWU [0,2,0,0,0,0|0,0,0]=2 2182 B9R0.45 OCCOCCSCCO 1P004OY5 [0,2,0,0,0,0|0,0,0]=2 2183 B9R0.45 OCCSCCSCCO 1P00330Z [0,2,0,0,0,0|0,1,0]=3 2184 B9R0.45 SCCCCCCCC=C 1P028TO2 [0,2,0,0,0,0|1,1,0]=4 2185 B9R0.45 SCCCCCCCCS 1P000IO8 [0,2,0,0,0,0|1,1,0]=4 2186 B9R0.45 SCCOCCOCCS 1P001MEG [0,2,0,0,0,0|0,1,0]=3 2187 B9R0.46 BrCCCOCC(=O)OC 1P01DF0P [0,2,0,0,0,0|1,0,1]=4 2188 B9R0.46 CCCCCCC(=O)CBr 1P007N76 [0,2,0,0,0,0|2,0,0]=4 2189 B9R0.46 CCCCCCC(=O)CC 1P003TQS [0,2,0,0,0,0|2,0,0]=4 2190 B9R0.46 CCCCCCC(=O)OC 1P003SH2 [0,2,0,0,0,0|1,0,1]=4 2191 B9R0.46 CCCCCCC(C#N)C 1P00BE4R [0,2,0,0,0,0|2,0,0]=4 2192 B9R0.46 CCCCCCC(C=C)O 1P003F1C [0,2,0,0,0,0|1,0,0]=3 2193 B9R0.46 CCCCCCC(CBr)Br 1P0037E0 [0,2,0,0,0,0|2,0,0]=4 2194 B9R0.46 CCCCCCC(CBr)O 1P0039BE [0,2,0,0,0,0|1,0,0]=3 2195 B9R0.46 CCCCCCC(CC)N 1P027YCQ [0,2,0,0,0,0|2,0,0]=4 2196 B9R0.46 CCCCCCC(CC)O 1P003KAS [0,2,0,0,0,0|1,0,0]=3 2197 B9R0.46 CCCCCCC(CO)C 1P008LR4 [0,2,0,0,0,0|1,0,0]=3 2198 B9R0.46 CCCCCCC(CO)O 1P003DW3 [0,2,0,0,0,0|1,0,0]=3 2199 B9R0.46 CCCCCCC(NN)C 1P019TKF [0,2,0,0,0,0|2,0,0]=4 2200 B9R0.46 CCCCCCC(OC)C 1P007HAC [0,2,0,0,0,0|1,0,0]=3 2201 B9R0.46 CCCCOCC(CN)O 1P02931P [0,2,0,0,0,0|0,0,0]=2 2202 B9R0.46 CCOCCOC(=O)CCl 1P00ETR1 [0,2,0,0,0,0|1,0,1]=4 2203 B9R0.46 CNC(=O)CCOCCN 1P028GCI [0,2,0,0,0,0|1,0,1]=4 2204 B9R0.46 COC(=O)CCOCCN 1P01FJTF [0,2,0,0,0,0|1,0,1]=4 2205 B9R0.46 COC(=O)CCOCCO 1P006F4G [0,2,0,0,0,0|0,0,1]=3 2206 B9R0.46 COCCOCC(=O)OC 1P01SHN6 [0,2,0,0,0,0|1,0,1]=4 2207 B9R0.46 NCCCCCN(CC)C 1P028KPB [0,2,0,0,0,0|2,0,0]=4 2208 B9R0.46 OCCCCCC(=O)OC 1P00I8Z9 [0,2,0,0,0,0|1,0,1]=4 2209 B9R0.46 OCCCCCC(CC)C 1P00C0NJ [0,2,0,0,0,0|1,0,0]=3 2210 B9R0.46 OCCCCCC(CO)O 1P003DS9 [0,2,0,0,0,0|1,0,0]=3 2211 B9R0.46 OCCCOCC(=O)OC 1P01JM3Y [0,2,0,0,0,0|1,0,1]=4 2212 B9R0.46 OCCOCCN(CC)C 1P01C9ZF [0,2,0,0,0,0|0,0,0]=2 2213 B9R0.1 CCC(=O)OCCC(C)C 1P003RIZ [0,2,0,0,0,0|1,0,1]=4 2214 B9R0.1 CCC(CCCC(=O)O)C 1P007TWS [0,2,0,0,0,0|1,0,1]=4 2215 B9R0.1 NCC(CCCC(C)C)C 1P027YCU [0,2,0,0,0,0|2,0,0]=4 2216 B9R0.1 NCC(COCC(C)C)O 1P019NOV [0,2,0,0,0,0|2,0,0]=4 2217 B9R0.1 OCC(=O)OCCN(C)C 1P028SZW [0,2,0,0,0,0|1,0,1]=4 2218 B9R0.1 OCC(CCCC(C)C)C 1P002UW5 [0,2,0,0,0,0|1,0,0]=3 2219 B9R0.20 CCCCCC(CC)(C)C 1P003IUA [0,2,0,0,0,0|2,0,0]=4 2220 B9R0.20 CCCCCC(CN)(C)C 1P001IN4 [0,2,0,0,0,0|2,0,0]=4 2221 B9R0.20 CCCCOS(=O)(=O)CC 1P007ZWV [0,2,0,0,0,0|2,0,0]=4 2222 B9R0.20 COCCCC(CO)(C)C 1P028DAT [0,2,0,0,0,0|2,0,0]=4 2223 B9R0.20 COCCCC(CO)(F)F 1P020LN3 [0,2,0,0,0,0|2,0,0]=4 2224 B9R0.20 OCC(NCCOC)(C)C 1P019U71 [0,2,0,0,0,0|2,0,0]=4 2225 B9R0.24 CCC(CCC(CO)C)C 1P003GFY [0,2,0,0,0,0|1,0,0]=3 2226 B9R0.24 CC[C@@H](CC[C@H](CC)O)O 1P0012Q3 [0,2,0,0,0,0|2,0,0]=4 2227 B9R0.24 CC[C@H](CC[C@@H](CC)O)O 1P003C9X [0,2,0,0,0,0|2,0,0]=4 2228 B9R0.47 CC(C(=O)O)OCCCC 1P001E99 [0,2,0,0,0,0|0,0,1]=3 2229 B9R0.47 CC(C(=O)O)OCCOC 1P01AISP [0,2,0,0,0,0|1,0,1]=4 2230 B9R0.47 CC(C(=O)O)SCCCC 1P004B9H [0,2,0,0,0,0|0,1,1]=4 2231 B9R0.47 CC(C(=O)OCCCCl)O 1P01B8BQ [0,2,0,0,0,0|1,0,1]=4 2232 B9R0.47 CCCCCC(C(=O)O)C 1P003I62 [0,2,0,0,0,0|1,0,1]=4 2233 B9R0.47 CCCCCC(C(=O)O)F 1P001Q6O [0,2,0,0,0,0|1,0,1]=4 2234 B9R0.47 CCCCCC(C(=O)O)N 1P003H03 [0,2,0,0,0,0|1,0,1]=4 2235 B9R0.47 CCCCCC(C(=O)O)O 1P00EZ41 [0,2,0,0,0,0|1,0,1]=4 2236 B9R0.47 CCCCC[C@@H](C(=O)O)N 1P00DCUE [0,2,0,0,0,0|1,0,1]=4 2237 B9R0.47 CCCCC[C@H](C(=O)O)N 1P0037WI [0,2,0,0,0,0|1,0,1]=4 2238 B9R0.47 CCCCOC(=O)C(Br)C 1P003H9K [0,2,0,0,0,0|1,0,1]=4 2239 B9R0.47 CCCCOC(=O)C(Cl)C 1P00DSO2 [0,2,0,0,0,0|1,0,1]=4 2240 B9R0.47 CCCCOC(=O)C(O)C 1P0018A3 [0,2,0,0,0,0|0,0,1]=3 2241 B9R0.47 CCCCOC(=O)[C@@H](N)C 1P002XAH [0,2,0,0,0,0|1,0,1]=4 2242 B9R0.47 CCCCOC(=O)[C@@H](N)C 1P00GAGB [0,2,0,0,0,0|1,0,1]=4 2243 B9R0.50 BrCCOCC(OC)OC 1P01QSIP [0,2,0,0,0,0|2,0,0]=4 2244 B9R0.50 CCCCCC(CO)CN 1P028GL2 [0,2,0,0,0,0|1,0,0]=3 2245 B9R0.50 CCCCCC(CO)CO 1P003IA6 [0,2,0,0,0,0|1,0,0]=3 2246 B9R0.50 CCCCOC(CCl)CO 1P029336 [0,2,0,0,0,0|0,0,0]=2 2247 B9R0.50 NCCOCC(OC)OC 1P01A2NE [0,2,0,0,0,0|2,0,0]=4 2248 B9R0.50 OCCCCC(OC)OC 1P028IND [0,2,0,0,0,0|2,0,0]=4 2249 B9R0.50 OCCCCN(CC)CC 1P00I5J9 [0,2,0,0,0,0|2,0,0]=4 2250 B9R0.50 OCCCCN(N=O)CC 1P003TH8 [0,2,0,0,0,0|2,0,0]=4 2251 B9R0.50 OCCNCC(OC)OC 1P019ZB2 [0,2,0,0,0,0|2,0,0]=4 2252 B9R0.50 OCCNCC(OC)OC 1P028BCE [0,2,0,0,0,0|2,0,0]=4 2253 B9R0.38 BrCCCCCC(C)(C)C 1P01AUWY [0,2,0,0,0,0|2,0,0]=4 2254 B9R0.38 BrCCCOCC(F)(F)F 1P01AKS7 [0,2,0,0,0,0|2,0,0]=4 2255 B9R0.38 CCCCCCC(O)(C)C 1P00E9PI [0,2,0,0,0,0|1,0,0]=3 2256 B9R0.38 CCCCCCP(=O)(O)O 1P00DEHH [0,2,0,0,0,0|2,0,0]=4 2257 B9R0.38 CCCCCCS(=O)(=O)O 1P0072KI [0,2,0,0,0,0|2,0,0]=4 2258 B9R0.38 CCCCNCC(F)(F)F 1P019NIV [0,2,0,0,0,0|2,0,0]=4 2259 B9R0.38 COCCOCC(O)(C)C 1P002LQS [0,2,0,0,0,0|1,0,0]=3 2260 B9R0.38 ClCCCOCC(F)(F)F 1P019XH1 [0,2,0,0,0,0|2,0,0]=4 2261 B9R0.38 NCCCOCC(C)(C)C 1P027VCT [0,2,0,0,0,0|2,0,0]=4 2262 B9R0.38 NCCCOCC(C)(C)C 1P028PAC [0,2,0,0,0,0|2,0,0]=4 2263 B9R0.38 NCCCOCC(F)(F)F 1P019V5L [0,2,0,0,0,0|2,0,0]=4 2264 B9R0.38 NCCOCCS(=O)(=O)C 1P01ALCC [0,2,0,0,0,0|2,0,0]=4 2265 B9R0.38 OCCCCCS(=O)(=O)C 1P028IA6 [0,2,0,0,0,0|2,0,0]=4 2266 B9R0.38 OCCCNCC(C)(C)C 1P01ABTP [0,2,0,0,0,0|2,0,0]=4 2267 B9R0.38 OCCCOCC(F)(F)F 1P019XKE [0,2,0,0,0,0|2,0,0]=4 2268 B9R0.38 OCCNCCC(C)(C)C 1P028BEF [0,2,0,0,0,0|1,0,0]=3 2269 B9R0.38 OCCNCCC(O)(C)C 1P0201C7 [0,2,0,0,0,0|1,0,0]=3 2270 B9R0.38 OCCOCCS(=O)(=O)F 1P01GCGJ [0,2,0,0,0,0|2,0,0]=4 2271 B9R0.38 OCCOCCS(=O)(=O)N 1P028YIM [0,2,0,0,0,0|2,0,0]=4 2272 B9R0.38 OCCOCCS(=O)(=O)[O-] 1P028V3A [0,2,0,0,0,0|2,0,0]=4 2273 B9R0.55 CC(CCCCC(=O)O)C 1P00GS4R [0,2,0,0,0,0|1,0,1]=4 2274 B9R0.55 CC(CCCCC(=O)O)N 1P01AJKO [0,2,0,0,0,0|1,0,1]=4 2275 B9R0.55 CC(CCCCN(C)C)O 1P01A62T [0,2,0,0,0,0|2,0,0]=4 2276 B9R0.55 CC(CCOCC(=O)O)C 1P006C8E [0,2,0,0,0,0|0,0,1]=3 2277 B9R0.55 CC(CCSCC(=O)O)C 1P019XPV [0,2,0,0,0,0|0,1,1]=4 2278 B9R0.55 CC(CNCCC(C)C)C 1P028B76 [0,2,0,0,0,0|2,0,0]=4 2279 B9R0.55 CN(CCOCC(=O)O)C 1P01DXED [0,2,0,0,0,0|1,0,1]=4 2280 B7R1.1 BrCC1CCCC1 1P003515 [1,0,0,1,0,0|1,0,0]=3 2281 B7R1.1 BrCC1CCCN1 1P00CKVT [1,0,0,1,0,0|2,0,0]=4 2282 B7R1.1 BrCC1CCCO1 1P000ITE [1,0,0,1,0,0|1,0,0]=3 2283 B7R1.1 BrCC1CNCC1 1P01EIR3 [1,0,0,1,0,0|2,0,0]=4 2284 B7R1.1 BrCC1COCC1 1P001WHG [1,0,0,1,0,0|1,0,0]=3 2285 B7R1.1 BrCC1OCCO1 1P003P0S [1,0,0,1,0,0|1,0,0]=3 2286 B7R1.1 BrC[C@@H]1CCCN1 1P00DJPT [1,0,0,1,0,0|2,0,0]=4 2287 B7R1.1 BrC[C@@H]1CCCO1 1P01IM3G [1,0,0,1,0,0|1,0,0]=3 2288 B7R1.1 BrC[C@@H]1COCC1 1P020LT7 [1,0,0,1,0,0|1,0,0]=3 2289 B7R1.1 BrC[C@H]1CCCO1 1P00IUP9 [1,0,0,1,0,0|1,0,0]=3 2290 B7R1.1 BrC[C@H]1COCC1 1P020LT9 [1,0,0,1,0,0|1,0,0]=3 2291 B7R1.1 C#CC1CCCC1 1P0039ZU [1,0,0,1,0,0|1,0,1]=4 2292 B7R1.1 C#CC1CCCO1 1P01B5HM [1,0,0,1,0,0|0,0,2]=4 2293 B7R1.1 C#CC1COCC1 1P00HC4Y [1,0,0,1,0,0|0,0,2]=4 2294 B7R1.1 C#CC1OCCO1 1P027UV0 [1,0,0,1,0,0|0,0,2]=4 2295 B7R1.1 C=CC1CCCC1 1P003VS6 [1,0,0,1,0,0|1,0,1]=4 2296 B7R1.1 C=CC1CCCO1 1P0288PV [1,0,0,1,0,0|0,0,2]=4 2297 B7R1.1 CCC1=CCCC1 1P003ER5 [1,0,0,1,0,0|1,0,1]=4 2298 B7R1.1 CCC1=NCCO1 1P003HNL [1,0,0,1,0,0|1,0,1]=4 2299 B7R1.1 CCC1CCCC1 1P003QYP [1,0,0,1,0,0|1,0,0]=3 2300 B7R1.1 CCC1CCCN1 1P01AHO8 [1,0,0,1,0,0|1,0,0]=3 2301 B7R1.1 CCC1CNCC1 1P005S3B [1,0,0,1,0,0|1,0,0]=3 2302 B7R1.1 CCC1CNCC1 1P019ZNZ [1,0,0,1,0,0|1,0,0]=3 2303 B7R1.1 CCN1CCCC1 1P003ES8 [1,0,0,1,0,0|1,0,0]=3 2304 B7R1.1 CC[C@@H]1CCCN1 1P00DIBN [1,0,0,1,0,0|1,0,0]=3 2305 B7R1.1 CC[C@@H]1CNCC1 1P002NX8 [1,0,0,1,0,0|1,0,0]=3 2306 B7R1.1 CC[C@H]1CCCN1 1P00EM15 [1,0,0,1,0,0|1,0,0]=3 2307 B7R1.1 CC[C@H]1CNCC1 1P002NX9 [1,0,0,1,0,0|1,0,0]=3 2308 B7R1.1 CNC1CCCC1 1P007NZ7 [1,0,0,1,0,0|2,0,0]=4 2309 B7R1.1 CNC1CCCC1 1P00G8LD [1,0,0,1,0,0|2,0,0]=4 2310 B7R1.1 CNC1CNCC1 1P0011UK [1,0,0,1,0,0|2,0,0]=4 2311 B7R1.1 CNC1CNCC1 1P003TP8 [1,0,0,1,0,0|2,0,0]=4 2312 B7R1.1 CNC1COCC1 1P006OGE [1,0,0,1,0,0|1,0,0]=3 2313 B7R1.1 CNC1COCC1 1P00GUC5 [1,0,0,1,0,0|1,0,0]=3 2314 B7R1.1 CNC1CSCC1 1P019NX3 [1,0,0,1,0,0|1,1,0]=4 2315 B7R1.1 CN[C@@H]1CNCC1 1P001AHA [1,0,0,1,0,0|2,0,0]=4 2316 B7R1.1 CN[C@@H]1COCC1 1P000ZGV [1,0,0,1,0,0|1,0,0]=3 2317 B7R1.1 CN[C@H]1CNCC1 1P001AH9 [1,0,0,1,0,0|2,0,0]=4 2318 B7R1.1 CN[C@H]1CNCC1 1P00HXGJ [1,0,0,1,0,0|2,0,0]=4 2319 B7R1.1 CN[C@H]1COCC1 1P000ZGS [1,0,0,1,0,0|1,0,0]=3 2320 B7R1.1 COC1CCCC1 1P0035LM [1,0,0,1,0,0|2,0,0]=4 2321 B7R1.1 COC1CCCO1 1P003AIB [1,0,0,1,0,0|1,0,0]=3 2322 B7R1.1 COC1CNCC1 1P0012QM [1,0,0,1,0,0|2,0,0]=4 2323 B7R1.1 COC1CNCC1 1P00EDNA [1,0,0,1,0,0|2,0,0]=4 2324 B7R1.1 COC1OCCO1 1P0033U4 [1,0,0,1,0,0|1,0,0]=3 2325 B7R1.1 CO[C@@H]1CNCC1 1P000QRA [1,0,0,1,0,0|2,0,0]=4 2326 B7R1.1 CO[C@@H]1CNCC1 1P006397 [1,0,0,1,0,0|2,0,0]=4 2327 B7R1.1 CO[C@H]1CNCC1 1P000QRB [1,0,0,1,0,0|2,0,0]=4 2328 B7R1.1 CO[C@H]1CNCC1 1P0037NR [1,0,0,1,0,0|2,0,0]=4 2329 B7R1.1 CSC1CCCC1 1P0069WS [1,0,0,1,0,0|2,0,0]=4 2330 B7R1.1 CSC1CNCC1 1P01APLX [1,0,0,1,0,0|2,0,0]=4 2331 B7R1.1 CS[C@@H]1CNCC1 1P0284BZ [1,0,0,1,0,0|2,0,0]=4 2332 B7R1.1 CS[C@H]1CNCC1 1P0283ZP [1,0,0,1,0,0|2,0,0]=4 2333 B7R1.1 ClCC1CCCC1 1P009GZM [1,0,0,1,0,0|1,0,0]=3 2334 B7R1.1 ClCC1CCCO1 1P003V5P [1,0,0,1,0,0|1,0,0]=3 2335 B7R1.1 ClCC1COCC1 1P00GUC8 [1,0,0,1,0,0|1,0,0]=3 2336 B7R1.1 ClCC1COCO1 1P0082VB [1,0,0,1,0,0|1,0,0]=3 2337 B7R1.1 ClCC1OCCO1 1P00I5DA [1,0,0,1,0,0|1,0,0]=3 2338 B7R1.1 ClC[C@@H]1CCCN1 1P00CLBF [1,0,0,1,0,0|2,0,0]=4 2339 B7R1.1 FCC1CCCN1 1P01AN6Z [1,0,0,1,0,0|2,0,0]=4 2340 B7R1.1 FCC1CNCC1 1P01BSAV [1,0,0,1,0,0|2,0,0]=4 2341 B7R1.1 FC[C@@H]1CCCN1 1P0051XA [1,0,0,1,0,0|2,0,0]=4 2342 B7R1.1 FC[C@@H]1CNCC1 1P01JUVZ [1,0,0,1,0,0|2,0,0]=4 2343 B7R1.1 FC[C@H]1CCCN1 1P00IF57 [1,0,0,1,0,0|2,0,0]=4 2344 B7R1.1 FC[C@H]1CNCC1 1P001JWT [1,0,0,1,0,0|2,0,0]=4 2345 B7R1.1 ICC1CCCC1 1P003RHG [1,0,0,1,0,0|1,0,0]=3 2346 B7R1.1 ICC1CCCO1 1P00EBHK [1,0,0,1,0,0|1,0,0]=3 2347 B7R1.1 ICC1COCC1 1P0038AU [1,0,0,1,0,0|1,0,0]=3 2348 B7R1.1 N#CC1CCCC1 1P003PN1 [1,0,0,1,0,0|1,0,1]=4 2349 B7R1.1 N#CC1CCCO1 1P001ED5 [1,0,0,1,0,0|1,0,1]=4 2350 B7R1.1 N#CC1COCC1 1P001ED4 [1,0,0,1,0,0|1,0,1]=4 2351 B7R1.1 N#C[C@@H]1COCC1 1P00HUZB [1,0,0,1,0,0|1,0,1]=4 2352 B7R1.1 N#C[C@H]1COCC1 1P00124O [1,0,0,1,0,0|1,0,1]=4 2353 B7R1.1 NCC1CCCC1 1P0036ET [1,0,0,1,0,0|1,0,0]=3 2354 B7R1.1 NCC1CCCC1 1P00IB6C [1,0,0,1,0,0|1,0,0]=3 2355 B7R1.1 NCC1CCCN1 1P00ECYN [1,0,0,1,0,0|2,0,0]=4 2356 B7R1.1 NCC1CCCO1 1P003IEL [1,0,0,1,0,0|1,0,0]=3 2357 B7R1.1 NCC1CCCO1 1P01B53G [1,0,0,1,0,0|1,0,0]=3 2358 B7R1.1 NCC1CNCC1 1P01JLRW [1,0,0,1,0,0|2,0,0]=4 2359 B7R1.1 NCC1COCC1 1P001WHF [1,0,0,1,0,0|1,0,0]=3 2360 B7R1.1 NCC1COCC1 1P00APKV [1,0,0,1,0,0|1,0,0]=3 2361 B7R1.1 NCC1COCO1 1P01C3C7 [1,0,0,1,0,0|1,0,0]=3 2362 B7R1.1 NCC1CSCC1 1P01BGMT [1,0,0,1,0,0|1,1,0]=4 2363 B7R1.1 NCC1OCCO1 1P003FFJ [1,0,0,1,0,0|1,0,0]=3 2364 B7R1.1 NC[C@@H]1CCCN1 1P003D4W [1,0,0,1,0,0|2,0,0]=4 2365 B7R1.1 NC[C@@H]1CCCN1 1P007H8F [1,0,0,1,0,0|2,0,0]=4 2366 B7R1.1 NC[C@@H]1CCCO1 1P003CYT [1,0,0,1,0,0|1,0,0]=3 2367 B7R1.1 NC[C@@H]1CCCO1 1P00C31K [1,0,0,1,0,0|1,0,0]=3 2368 B7R1.1 NC[C@@H]1CNCC1 1P01DXBE [1,0,0,1,0,0|2,0,0]=4 2369 B7R1.1 NC[C@@H]1COCC1 1P001CGW [1,0,0,1,0,0|1,0,0]=3 2370 B7R1.1 NC[C@@H]1COCC1 1P008RTI [1,0,0,1,0,0|1,0,0]=3 2371 B7R1.1 NC[C@H]1CCCN1 1P000PJG [1,0,0,1,0,0|2,0,0]=4 2372 B7R1.1 NC[C@H]1CCCO1 1P01APNK [1,0,0,1,0,0|1,0,0]=3 2373 B7R1.1 NC[C@H]1COCC1 1P008RTH [1,0,0,1,0,0|1,0,0]=3 2374 B7R1.1 NC[C@H]1COCC1 1P00IL9J [1,0,0,1,0,0|1,0,0]=3 2375 B7R1.1 NNC1CCCC1 1P00354S [1,0,0,1,0,0|2,0,0]=4 2376 B7R1.1 NNC1CCCC1 1P00EIU5 [1,0,0,1,0,0|2,0,0]=4 2377 B7R1.1 NNC1COCC1 1P001QCD [1,0,0,1,0,0|2,0,0]=4 2378 B7R1.1 NNC1COCC1 1P007PLZ [1,0,0,1,0,0|2,0,0]=4 2379 B7R1.1 NOC1CCCC1 1P0058VS [1,0,0,1,0,0|2,0,0]=4 2380 B7R1.1 NOC1COCC1 1P01A74K [1,0,0,1,0,0|2,0,0]=4 2381 B7R1.1 NOC1COCC1 1P028JEY [1,0,0,1,0,0|2,0,0]=4 2382 B7R1.1 O=CC1CCCC1 1P00354L [1,0,0,1,0,0|0,0,2]=4 2383 B7R1.1 O=CC1CCCC1 1P0035E6 [1,0,0,1,0,0|0,0,2]=4 2384 B7R1.1 O=CC1CCCO1 1P0036B1 [1,0,0,1,0,0|0,0,2]=4 2385 B7R1.1 O=CC1COCC1 1P00G5BD [1,0,0,1,0,0|1,0,1]=4 2386 B7R1.1 OCC1=CCCC1 1P00842I [1,0,0,1,0,0|0,0,2]=4 2387 B7R1.1 OCC1CC=CC1 1P002R0D [1,0,0,1,0,0|0,0,2]=4 2388 B7R1.1 OCC1CCC=C1 1P0012O5 [1,0,0,1,0,0|0,0,2]=4 2389 B7R1.1 OCC1CCCC1 1P00354O [1,0,0,1,0,0|0,0,0]=2 2390 B7R1.1 OCC1CCCN1 1P00D8LK [1,0,0,1,0,0|1,0,0]=3 2391 B7R1.1 OCC1CCCO1 1P003V5N [1,0,0,1,0,0|0,0,0]=2 2392 B7R1.1 OCC1CCCS1 1P00D41W [1,0,0,1,0,0|0,1,0]=3 2393 B7R1.1 OCC1CCON1 1P01EKGH [1,0,0,1,0,0|2,0,0]=4 2394 B7R1.1 OCC1CNCC1 1P001L6R [1,0,0,1,0,0|1,0,0]=3 2395 B7R1.1 OCC1CNCC1 1P003KD2 [1,0,0,1,0,0|1,0,0]=3 2396 B7R1.1 OCC1CNCC1 1P00EB7Y [1,0,0,1,0,0|1,0,0]=3 2397 B7R1.1 OCC1CNNC1 1P0280T1 [1,0,0,1,0,0|2,0,0]=4 2398 B7R1.1 OCC1COCC1 1P001QLQ [1,0,0,1,0,0|1,0,0]=3 2399 B7R1.1 OCC1COCO1 1P00IA87 [1,0,0,1,0,0|1,0,0]=3 2400 B7R1.1 OCC1CSCC1 1P01A0OB [1,0,0,1,0,0|1,0,0]=3 2401 B7R1.1 OCC1NCCS1 1P0281VP [1,0,0,1,0,0|1,1,0]=4 2402 B7R1.1 OCC1OCCO1 1P00EGQV [1,0,0,1,0,0|1,0,0]=3 2403 B7R1.1 OC[C@@H]1CCCN1 1P0032WM [1,0,0,1,0,0|1,0,0]=3 2404 B7R1.1 OC[C@@H]1CCCO1 1P0036G1 [1,0,0,1,0,0|0,0,0]=2 2405 B7R1.1 OC[C@@H]1CNCC1 1P000ZXR [1,0,0,1,0,0|1,0,0]=3 2406 B7R1.1 OC[C@@H]1CNCC1 1P003D28 [1,0,0,1,0,0|1,0,0]=3 2407 B7R1.1 OC[C@@H]1COCC1 1P009DDU [1,0,0,1,0,0|1,0,0]=3 2408 B7R1.1 OC[C@H]1CCCN1 1P003CKM [1,0,0,1,0,0|1,0,0]=3 2409 B7R1.1 OC[C@H]1CCCN1 1P00ACI8 [1,0,0,1,0,0|1,0,0]=3 2410 B7R1.1 OC[C@H]1CCCO1 1P0032UH [1,0,0,1,0,0|0,0,0]=2 2411 B7R1.1 OC[C@H]1CNCC1 1P000JI5 [1,0,0,1,0,0|1,0,0]=3 2412 B7R1.1 OC[C@H]1CNCC1 1P003CQ3 [1,0,0,1,0,0|1,0,0]=3 2413 B7R1.1 OC[C@H]1COCC1 1P000MEF [1,0,0,1,0,0|1,0,0]=3 2414 B7R1.1 ON=C1CCCC1 1P000ITF [1,0,0,1,0,0|1,0,1]=4 2415 B7R1.1 ONC1CCCC1 1P00IB6K [1,0,0,1,0,0|1,0,0]=3 2416 B7R1.1 ONC1COCC1 1P01BCYW [1,0,0,1,0,0|2,0,0]=4 2417 B7R1.1 SCC1CCCC1 1P01AAKX [1,0,0,1,0,0|0,1,0]=3 2418 B7R1.1 SCC1CCCN1 1P028JI4 [1,0,0,1,0,0|1,1,0]=4 2419 B7R1.1 SCC1CNCC1 1P020ZLH [1,0,0,1,0,0|1,1,0]=4 2420 B7R1.1 SCC1COCC1 1P00DKQ0 [1,0,0,1,0,0|1,0,0]=3 2421 B7R1.1 SCC1OCCO1 1P0289U9 [1,0,0,1,0,0|1,0,0]=3 2422 B7R1.1 SC[C@@H]1CCCN1 1P028CS9 [1,0,0,1,0,0|1,1,0]=4 2423 B7R1.1 SC[C@H]1CCCN1 1P028BMN [1,0,0,1,0,0|1,1,0]=4 2424 B7R1.1 SC[C@H]1CCCO1 1P028TPO [1,0,0,1,0,0|0,1,0]=3 2425 B7R1.1 [C-]#[N+]C1CCCC1 1P006JPW [1,0,0,1,0,0|2,0,0]=4 2426 B7R1.1 [C-]#[N+]C1COCC1 1P028V4O [1,0,0,1,0,0|1,0,1]=4 2427 B7R1.3 BrC1CCCCC1 1P003P12 [1,0,0,1,0,0|1,0,0]=3 2428 B7R1.3 BrC1CCCCO1 1P01B2UX [1,0,0,1,0,0|1,0,0]=3 2429 B7R1.3 BrC1CCCNC1 1P00DBEH [1,0,0,1,0,0|2,0,0]=4 2430 B7R1.3 BrC1CCCNC1 1P00ILCZ [1,0,0,1,0,0|2,0,0]=4 2431 B7R1.3 BrC1CCCOC1 1P000UY4 [1,0,0,1,0,0|1,0,0]=3 2432 B7R1.3 BrC1CCNCC1 1P0001J9 [1,0,0,1,0,0|2,0,0]=4 2433 B7R1.3 BrC1CCNCC1 1P00DENR [1,0,0,1,0,0|2,0,0]=4 2434 B7R1.3 BrC1CCOCC1 1P0034FF [1,0,0,1,0,0|1,0,0]=3 2435 B7R1.3 BrC1CCSCC1 1P00I6LD [1,0,0,1,0,0|1,1,0]=4 2436 B7R1.3 C=C1CCCCC1 1P000PMZ [1,0,0,1,0,0|1,0,1]=4 2437 B7R1.3 C=C1CCCOC1 1P004I6X [1,0,0,1,0,0|1,0,1]=4 2438 B7R1.3 C=C1CCOCC1 1P0078D5 [1,0,0,1,0,0|0,0,2]=4 2439 B7R1.3 CB1OCCCO1 1P00E2N8 [1,0,0,1,0,0|2,0,0]=4 2440 B7R1.3 CC1CCC=CC1 1P003M66 [1,0,0,1,0,0|1,0,1]=4 2441 B7R1.3 CC1CCCC=C1 1P003K57 [1,0,0,1,0,0|1,0,1]=4 2442 B7R1.3 CC1CCCCN1 1P0033V1 [1,0,0,1,0,0|1,0,0]=3 2443 B7R1.3 CC1CCCNC1 1P003K8H [1,0,0,1,0,0|2,0,0]=4 2444 B7R1.3 CC1CCNCC1 1P0036FU [1,0,0,1,0,0|1,0,0]=3 2445 B7R1.3 CC1CCOCC1 1P00E0HP [1,0,0,1,0,0|0,0,0]=2 2446 B7R1.3 CC1CCOCN1 1P01EJQY [1,0,0,1,0,0|1,0,0]=3 2447 B7R1.3 CC1CCOCO1 1P003M61 [1,0,0,1,0,0|0,0,0]=2 2448 B7R1.3 CC1CNCCN1 1P0033V0 [1,0,0,1,0,0|2,0,0]=4 2449 B7R1.3 CC1CNCCO1 1P002UIX [1,0,0,1,0,0|1,0,0]=3 2450 B7R1.3 CC1CNCCO1 1P00ELRO [1,0,0,1,0,0|1,0,0]=3 2451 B7R1.3 CC1CNCCS1 1P00D0KW [1,0,0,1,0,0|1,1,0]=4 2452 B7R1.3 CC1CNCCS1 1P028MMW [1,0,0,1,0,0|1,1,0]=4 2453 B7R1.3 CC1COCCN1 1P002GNC [1,0,0,1,0,0|1,0,0]=3 2454 B7R1.3 CC1COCCN1 1P0073P9 [1,0,0,1,0,0|1,0,0]=3 2455 B7R1.3 CC1CSCCN1 1P00GGVG [1,0,0,1,0,0|1,1,0]=4 2456 B7R1.3 CC1NCCCO1 1P01DWSP [1,0,0,1,0,0|1,0,0]=3 2457 B7R1.3 CC1NCCCS1 1P028ZP5 [1,0,0,1,0,0|1,1,0]=4 2458 B7R1.3 CC1SCCCS1 1P003I1N [1,0,0,1,0,0|1,1,0]=4 2459 B7R1.3 CN1CCNCC1 1P00339Z [1,0,0,1,0,0|2,0,0]=4 2460 B7R1.3 CN1CCNCC1 1P003EZG [1,0,0,1,0,0|2,0,0]=4 2461 B7R1.3 CN1CCOCC1 1P0034KM [1,0,0,1,0,0|1,0,0]=3 2462 B7R1.3 CN1CCOCC1 1P003B0R [1,0,0,1,0,0|1,0,0]=3 2463 B7R1.3 C[C@@H]1CCCCN1 1P007DLX [1,0,0,1,0,0|1,0,0]=3 2464 B7R1.3 C[C@@H]1CCCCN1 1P01EUPR [1,0,0,1,0,0|1,0,0]=3 2465 B7R1.3 C[C@@H]1CCCNC1 1P001VT5 [1,0,0,1,0,0|2,0,0]=4 2466 B7R1.3 C[C@@H]1CCCNC1 1P00BGKY [1,0,0,1,0,0|2,0,0]=4 2467 B7R1.3 C[C@@H]1CNCCN1 1P005CO0 [1,0,0,1,0,0|2,0,0]=4 2468 B7R1.3 C[C@@H]1CNCCN1 1P00G3ER [1,0,0,1,0,0|2,0,0]=4 2469 B7R1.3 C[C@@H]1CNCCO1 1P001Y7E [1,0,0,1,0,0|1,0,0]=3 2470 B7R1.3 C[C@@H]1CNCCO1 1P0036XW [1,0,0,1,0,0|1,0,0]=3 2471 B7R1.3 C[C@@H]1COCCN1 1P0032VW [1,0,0,1,0,0|1,0,0]=3 2472 B7R1.3 C[C@@H]1COCCN1 1P0037B0 [1,0,0,1,0,0|1,0,0]=3 2473 B7R1.3 C[C@@H]1CSCCN1 1P01EJOQ [1,0,0,1,0,0|1,1,0]=4 2474 B7R1.3 C[C@H]1CCCCN1 1P002AMJ [1,0,0,1,0,0|1,0,0]=3 2475 B7R1.3 C[C@H]1CCCCN1 1P00I6IS [1,0,0,1,0,0|1,0,0]=3 2476 B7R1.3 C[C@H]1CCCNC1 1P001ONX [1,0,0,1,0,0|2,0,0]=4 2477 B7R1.3 C[C@H]1CCCNC1 1P00ADA8 [1,0,0,1,0,0|2,0,0]=4 2478 B7R1.3 C[C@H]1CNCCN1 1P003CXL [1,0,0,1,0,0|2,0,0]=4 2479 B7R1.3 C[C@H]1CNCCO1 1P000FJ9 [1,0,0,1,0,0|1,0,0]=3 2480 B7R1.3 C[C@H]1CNCCO1 1P00371T [1,0,0,1,0,0|1,0,0]=3 2481 B7R1.3 C[C@H]1COCCN1 1P0007EQ [1,0,0,1,0,0|1,0,0]=3 2482 B7R1.3 C[C@H]1COCCN1 1P0032XT [1,0,0,1,0,0|1,0,0]=3 2483 B7R1.3 C[C@H]1CSCCN1 1P028NM4 [1,0,0,1,0,0|1,1,0]=4 2484 B7R1.3 ClC1CCCCC1 1P00IA54 [1,0,0,1,0,0|1,0,0]=3 2485 B7R1.3 ClC1CCCOC1 1P019YWV [1,0,0,1,0,0|1,0,0]=3 2486 B7R1.3 ClC1CCNCC1 1P00DBUB [1,0,0,1,0,0|2,0,0]=4 2487 B7R1.3 ClC1CCNCC1 1P00IA2E [1,0,0,1,0,0|2,0,0]=4 2488 B7R1.3 ClC1CCOCC1 1P0025DT [1,0,0,1,0,0|1,0,0]=3 2489 B7R1.3 FC1CCCCC1 1P003R2P [1,0,0,1,0,0|1,0,0]=3 2490 B7R1.3 FC1CCCNC1 1P000D9H [1,0,0,1,0,0|2,0,0]=4 2491 B7R1.3 FC1CCCNC1 1P00346E [1,0,0,1,0,0|2,0,0]=4 2492 B7R1.3 FC1CCNCC1 1P0036AQ [1,0,0,1,0,0|2,0,0]=4 2493 B7R1.3 FC1CCNCC1 1P005OZ5 [1,0,0,1,0,0|2,0,0]=4 2494 B7R1.3 F[C@@H]1CCCNC1 1P00GJ0L [1,0,0,1,0,0|2,0,0]=4 2495 B7R1.3 F[C@H]1CCCNC1 1P00H3M8 [1,0,0,1,0,0|2,0,0]=4 2496 B7R1.3 IC1CCCCC1 1P003RHE [1,0,0,1,0,0|1,0,0]=3 2497 B7R1.3 IC1CCNCC1 1P009XNS [1,0,0,1,0,0|2,0,0]=4 2498 B7R1.3 IC1CCOCC1 1P00BFX2 [1,0,0,1,0,0|1,0,0]=3 2499 B7R1.3 IC1CCSCC1 1P00C2AL [1,0,0,1,0,0|1,1,0]=4 2500 B7R1.3 NC1CCCCC1 1P000ZPD [1,0,0,1,0,0|1,0,0]=3 2501 B7R1.3 NC1CCCCC1 1P002SSK [1,0,0,1,0,0|1,0,0]=3 2502 B7R1.3 NC1CCCCC1 1P003PM2 [1,0,0,1,0,0|1,0,0]=3 2503 B7R1.3 NC1CCCCC1 1P003PM3 [1,0,0,1,0,0|1,0,0]=3 2504 B7R1.3 NC1CCCCC1 1P00C7GJ [1,0,0,1,0,0|1,0,0]=3 2505 B7R1.3 NC1CCCCC1 1P01E40Y [1,0,0,1,0,0|1,0,0]=3 2506 B7R1.3 NC1CCCNC1 1P0018DZ [1,0,0,1,0,0|2,0,0]=4 2507 B7R1.3 NC1CCCNC1 1P00DEKQ [1,0,0,1,0,0|2,0,0]=4 2508 B7R1.3 NC1CCCOC1 1P0039S6 [1,0,0,1,0,0|1,0,0]=3 2509 B7R1.3 NC1CCCOC1 1P008TJQ [1,0,0,1,0,0|1,0,0]=3 2510 B7R1.3 NC1CCCSC1 1P01ALPH [1,0,0,1,0,0|1,1,0]=4 2511 B7R1.3 NC1CCNCC1 1P003L8M [1,0,0,1,0,0|2,0,0]=4 2512 B7R1.3 NC1CCNCC1 1P00I7J8 [1,0,0,1,0,0|2,0,0]=4 2513 B7R1.3 NC1CCOCC1 1P0002RI [1,0,0,1,0,0|1,0,0]=3 2514 B7R1.3 NC1CCOCC1 1P0034DI [1,0,0,1,0,0|1,0,0]=3 2515 B7R1.3 NC1CCOCC1 1P0034DJ [1,0,0,1,0,0|1,0,0]=3 2516 B7R1.3 NC1CCSCC1 1P002NGW [1,0,0,1,0,0|1,1,0]=4 2517 B7R1.3 NC1CCSCC1 1P00C1QN [1,0,0,1,0,0|1,1,0]=4 2518 B7R1.3 NC1COCOC1 1P01B7QH [1,0,0,1,0,0|2,0,0]=4 2519 B7R1.3 NN1CCCCC1 1P003EET [1,0,0,1,0,0|2,0,0]=4 2520 B7R1.3 NN1CCCCC1 1P003T6T [1,0,0,1,0,0|2,0,0]=4 2521 B7R1.3 NN1CCOCC1 1P003L84 [1,0,0,1,0,0|2,0,0]=4 2522 B7R1.3 N[C@@H]1CCCNC1 1P000XD1 [1,0,0,1,0,0|2,0,0]=4 2523 B7R1.3 N[C@@H]1CCCNC1 1P0032U8 [1,0,0,1,0,0|2,0,0]=4 2524 B7R1.3 N[C@@H]1CCCOC1 1P000ZV1 [1,0,0,1,0,0|1,0,0]=3 2525 B7R1.3 N[C@H]1CCCNC1 1P0037TI [1,0,0,1,0,0|2,0,0]=4 2526 B7R1.3 N[C@H]1CCCNC1 1P0057E7 [1,0,0,1,0,0|2,0,0]=4 2527 B7R1.3 N[C@H]1CCCOC1 1P000MUB [1,0,0,1,0,0|1,0,0]=3 2528 B7R1.3 O=C1CCCCO1 1P00IA55 [1,0,0,1,0,0|0,0,2]=4 2529 B7R1.3 O=C1CCCOC1 1P002NSO [1,0,0,1,0,0|0,0,2]=4 2530 B7R1.3 O=C1CCOCC1 1P0034LC [1,0,0,1,0,0|1,0,1]=4 2531 B7R1.3 O=C1COCCO1 1P0030I9 [1,0,0,1,0,0|1,0,1]=4 2532 B7R1.3 OC1CCC=CC1 1P0036YC [1,0,0,1,0,0|0,0,2]=4 2533 B7R1.3 OC1CCCC=C1 1P003HL7 [1,0,0,1,0,0|0,0,2]=4 2534 B7R1.3 OC1CCCCC1 1P003PLH [1,0,0,1,0,0|0,0,0]=2 2535 B7R1.3 OC1CCCCN1 1P00D9C2 [1,0,0,1,0,0|1,0,0]=3 2536 B7R1.3 OC1CCCCO1 1P00FB2P [1,0,0,1,0,0|0,0,0]=2 2537 B7R1.3 OC1CCCNC1 1P00346W [1,0,0,1,0,0|1,0,0]=3 2538 B7R1.3 OC1CCCNC1 1P00IBS0 [1,0,0,1,0,0|1,0,0]=3 2539 B7R1.3 OC1CCCOC1 1P002BBW [1,0,0,1,0,0|0,0,0]=2 2540 B7R1.3 OC1CCCSC1 1P007QC5 [1,0,0,1,0,0|0,1,0]=3 2541 B7R1.3 OC1CCNCC1 1P0034J6 [1,0,0,1,0,0|1,0,0]=3 2542 B7R1.3 OC1CCNCC1 1P00DEUF [1,0,0,1,0,0|1,0,0]=3 2543 B7R1.3 OC1CCNOC1 1P01FI74 [1,0,0,1,0,0|1,0,0]=3 2544 B7R1.3 OC1CCNOC1 1P028UDA [1,0,0,1,0,0|1,0,0]=3 2545 B7R1.3 OC1CCOCC1 1P002JYI [1,0,0,1,0,0|1,0,0]=3 2546 B7R1.3 OC1CCONC1 1P01FI2N [1,0,0,1,0,0|2,0,0]=4 2547 B7R1.3 OC1CCONC1 1P028Y01 [1,0,0,1,0,0|2,0,0]=4 2548 B7R1.3 OC1CCSCC1 1P002ZKU [1,0,0,1,0,0|1,0,0]=3 2549 B7R1.3 OC1CNCCO1 1P0038W1 [1,0,0,1,0,0|1,0,0]=3 2550 B7R1.3 OC1COCC=C1 1P00E6GS [1,0,0,1,0,0|0,0,2]=4 2551 B7R1.3 OC1COCOC1 1P019VAG [1,0,0,1,0,0|1,0,0]=3 2552 B7R1.3 OC1CSCSC1 1P01ISDS [1,0,0,1,0,0|1,1,0]=4 2553 B7R1.3 ON1CCCCC1 1P00DA6U [1,0,0,1,0,0|1,0,0]=3 2554 B7R1.3 ON1CCOCC1 1P00EZ6W [1,0,0,1,0,0|2,0,0]=4 2555 B7R1.3 O[C@@H]1CCCC=C1 1P007HSE [1,0,0,1,0,0|0,0,2]=4 2556 B7R1.3 O[C@@H]1CCCNC1 1P002CAH [1,0,0,1,0,0|1,0,0]=3 2557 B7R1.3 O[C@@H]1CCCNC1 1P00EIV4 [1,0,0,1,0,0|1,0,0]=3 2558 B7R1.3 O[C@@H]1CCCOC1 1P0003PN [1,0,0,1,0,0|0,0,0]=2 2559 B7R1.3 O[C@H]1CCCC=C1 1P01JFX5 [1,0,0,1,0,0|0,0,2]=4 2560 B7R1.3 O[C@H]1CCCNC1 1P003D2O [1,0,0,1,0,0|1,0,0]=3 2561 B7R1.3 O[C@H]1CCCNC1 1P00I54D [1,0,0,1,0,0|1,0,0]=3 2562 B7R1.3 O[C@H]1CCCOC1 1P00FFT0 [1,0,0,1,0,0|0,0,0]=2 2563 B7R1.3 S=C1CCCCC1 1P01G8O5 [1,0,0,1,0,0|0,1,1]=4 2564 B7R1.3 SC1CCCNC1 1P000OZB [1,0,0,1,0,0|1,1,0]=4 2565 B7R1.3 SC1CCCOC1 1P00CY91 [1,0,0,1,0,0|0,1,0]=3 2566 B7R1.3 SC1CCNCC1 1P00IKPD [1,0,0,1,0,0|1,1,0]=4 2567 B7R1.3 SC1CCOCC1 1P00297Q [1,0,0,1,0,0|1,0,0]=3 2568 B7R1.3 SC1CCSCC1 1P01EJ9C [1,0,0,1,0,0|1,1,0]=4 2569 B7R1.3 S[C@@H]1CCCNC1 1P027SDX [1,0,0,1,0,0|1,1,0]=4 2570 B7R1.3 S[C@H]1CCCNC1 1P027XVA [1,0,0,1,0,0|1,1,0]=4 2571 B7R1.4 BrC1CCCC1C 1P01APKT [1,0,0,1,0,0|1,0,0]=3 2572 B7R1.4 BrC1CCCC1N 1P019ZLA [1,0,0,1,0,0|2,0,0]=4 2573 B7R1.4 BrC1CCCC1O 1P005CWJ [1,0,0,1,0,0|1,0,0]=3 2574 B7R1.4 BrC1COCC1O 1P01BI5C [1,0,0,1,0,0|1,0,0]=3 2575 B7R1.4 Br[C@@H]1CCC[C@@H]1O 1P00BWF7 [1,0,0,1,0,0|1,0,0]=3 2576 B7R1.4 Br[C@@H]1CCC[C@H]1Br 1P0007MB [1,0,0,1,0,0|2,0,0]=4 2577 B7R1.4 Br[C@@H]1COC[C@H]1O 1P000BRK [1,0,0,1,0,0|1,0,0]=3 2578 B7R1.4 Br[C@H]1CCC[C@H]1C 1P0285VB [1,0,0,1,0,0|1,0,0]=3 2579 B7R1.4 Br[C@H]1COC[C@H]1F 1P02884I [1,0,0,1,0,0|2,0,0]=4 2580 B7R1.4 C=C1CCCC1O 1P002A2S [1,0,0,1,0,0|0,0,2]=4 2581 B7R1.4 C=C1COCC1O 1P028FM7 [1,0,0,1,0,0|0,0,2]=4 2582 B7R1.4 CC1=C(C)CCO1 1P001LLM [1,0,0,1,0,0|0,0,2]=4 2583 B7R1.4 CC1CCCC1C 1P002OVL [1,0,0,1,0,0|1,0,0]=3 2584 B7R1.4 CC1CNCC1C 1P00ICYK [1,0,0,1,0,0|2,0,0]=4 2585 B7R1.4 CC1NCCC1C 1P019UAJ [1,0,0,1,0,0|1,0,0]=3 2586 B7R1.4 C[C@@H]1CNC[C@@H]1C 1P00J2M9 [1,0,0,1,0,0|2,0,0]=4 2587 B7R1.4 C[C@@H]1CNC[C@H]1C 1P00J2M8 [1,0,0,1,0,0|2,0,0]=4 2588 B7R1.4 ClC1CCCC1N 1P018SNK [1,0,0,1,0,0|2,0,0]=4 2589 B7R1.4 ClC1OCCC1Cl 1P003FYI [1,0,0,1,0,0|2,0,0]=4 2590 B7R1.4 Cl[C@@H]1CCC[C@@H]1O 1P007QXK [1,0,0,1,0,0|1,0,0]=3 2591 B7R1.4 F[C@@H]1CCC[C@@H]1N 1P01ANCG [1,0,0,1,0,0|2,0,0]=4 2592 B7R1.4 F[C@@H]1CCC[C@H]1N 1P00IL9Y [1,0,0,1,0,0|2,0,0]=4 2593 B7R1.4 F[C@@H]1CCC[C@H]1O 1P007NEZ [1,0,0,1,0,0|1,0,0]=3 2594 B7R1.4 F[C@@H]1CNC[C@@H]1O 1P00HXDM [1,0,0,1,0,0|2,0,0]=4 2595 B7R1.4 F[C@@H]1CNC[C@H]1O 1P002DCF [1,0,0,1,0,0|2,0,0]=4 2596 B7R1.4 F[C@@H]1COC[C@H]1N 1P028EHH [1,0,0,1,0,0|2,0,0]=4 2597 B7R1.4 F[C@@H]1COC[C@H]1O 1P00I0ET [1,0,0,1,0,0|1,0,0]=3 2598 B7R1.4 F[C@H]1CCC[C@@H]1N 1P0205LB [1,0,0,1,0,0|2,0,0]=4 2599 B7R1.4 F[C@H]1CCC[C@@H]1O 1P01ALS0 [1,0,0,1,0,0|1,0,0]=3 2600 B7R1.4 F[C@H]1CCC[C@H]1N 1P01ANCE [1,0,0,1,0,0|2,0,0]=4 2601 B7R1.4 F[C@H]1CNC[C@@H]1O 1P002FDT [1,0,0,1,0,0|2,0,0]=4 2602 B7R1.4 F[C@H]1CNC[C@H]1C 1P00I3RW [1,0,0,1,0,0|2,0,0]=4 2603 B7R1.4 F[C@H]1CNC[C@H]1O 1P01DL3T [1,0,0,1,0,0|2,0,0]=4 2604 B7R1.4 F[C@H]1COC[C@@H]1N 1P01DHWS [1,0,0,1,0,0|2,0,0]=4 2605 B7R1.4 F[C@H]1COC[C@H]1N 1P01EK0H [1,0,0,1,0,0|2,0,0]=4 2606 B7R1.4 I[C@@H]1CCC[C@H]1O 1P027UTY [1,0,0,1,0,0|1,0,0]=3 2607 B7R1.4 NC1CCCC1C 1P00DJ2G [1,0,0,1,0,0|1,0,0]=3 2608 B7R1.4 NC1CCCC1N 1P009X4W [1,0,0,1,0,0|2,0,0]=4 2609 B7R1.4 NC1CCSC1C 1P01C5GM [1,0,0,1,0,0|1,1,0]=4 2610 B7R1.4 NC1CNCC1C 1P01BJ5V [1,0,0,1,0,0|2,0,0]=4 2611 B7R1.4 NC1COCC1C 1P01B6KT [1,0,0,1,0,0|1,0,0]=3 2612 B7R1.4 NC1CSCC1C 1P01BAM2 [1,0,0,1,0,0|1,1,0]=4 2613 B7R1.4 N[C@@H]1CCC[C@@H]1C 1P00HABK [1,0,0,1,0,0|1,0,0]=3 2614 B7R1.4 N[C@@H]1CCC[C@@H]1N 1P0032JQ [1,0,0,1,0,0|2,0,0]=4 2615 B7R1.4 N[C@@H]1CCC[C@H]1C 1P0280A3 [1,0,0,1,0,0|1,0,0]=3 2616 B7R1.4 N[C@@H]1CCC[C@H]1N 1P00IKQH [1,0,0,1,0,0|2,0,0]=4 2617 B7R1.4 N[C@@H]1CCO[C@@H]1C 1P00I0QF [1,0,0,1,0,0|1,0,0]=3 2618 B7R1.4 N[C@@H]1COC[C@@H]1N 1P0013IL [1,0,0,1,0,0|2,0,0]=4 2619 B7R1.4 N[C@@H]1COC[C@@H]1N 1P00AHE0 [1,0,0,1,0,0|2,0,0]=4 2620 B7R1.4 N[C@@H]1COC[C@H]1N 1P000EB7 [1,0,0,1,0,0|2,0,0]=4 2621 B7R1.4 N[C@@H]1COC[C@H]1N 1P0013II [1,0,0,1,0,0|2,0,0]=4 2622 B7R1.4 N[C@H]1CNC[C@H]1C 1P01JUWU [1,0,0,1,0,0|2,0,0]=4 2623 B7R1.4 N[C@H]1COC[C@@H]1N 1P00DWQL [1,0,0,1,0,0|2,0,0]=4 2624 B7R1.4 N[C@H]1COC[C@H]1C 1P0280JR [1,0,0,1,0,0|1,0,0]=3 2625 B7R1.4 O=C1CCCC1C 1P008SEF [1,0,0,1,0,0|0,0,2]=4 2626 B7R1.4 O=C1CCCC1O 1P00DLEF [1,0,0,1,0,0|1,0,1]=4 2627 B7R1.4 O=C1CCOC1C 1P003V5J [1,0,0,1,0,0|1,0,1]=4 2628 B7R1.4 O=C1COCC1C 1P01B6KD [1,0,0,1,0,0|0,0,2]=4 2629 B7R1.4 O=C1OCCC1C 1P0039WP [1,0,0,1,0,0|0,0,2]=4 2630 B7R1.4 OC1CCCC1C 1P003I5T [1,0,0,1,0,0|0,0,0]=2 2631 B7R1.4 OC1CCCC1N 1P0063PU [1,0,0,1,0,0|1,0,0]=3 2632 B7R1.4 OC1CCCC1O 1P003DTU [1,0,0,1,0,0|1,0,0]=3 2633 B7R1.4 OC1CCOC1C 1P01ADF1 [1,0,0,1,0,0|1,0,0]=3 2634 B7R1.4 OC1CCSC1C 1P019UA5 [1,0,0,1,0,0|1,0,0]=3 2635 B7R1.4 OC1CNCC1C 1P00B7NZ [1,0,0,1,0,0|1,0,0]=3 2636 B7R1.4 OC1CNCC1N 1P00GAL6 [1,0,0,1,0,0|2,0,0]=4 2637 B7R1.4 OC1CNCC1O 1P019ZAG [1,0,0,1,0,0|2,0,0]=4 2638 B7R1.4 OC1CNCC1O 1P01BEZ4 [1,0,0,1,0,0|2,0,0]=4 2639 B7R1.4 OC1COCC1N 1P000W1Z [1,0,0,1,0,0|1,0,0]=3 2640 B7R1.4 OC1COCC1N 1P001KPS [1,0,0,1,0,0|1,0,0]=3 2641 B7R1.4 OC1COCC1O 1P003IYI [1,0,0,1,0,0|1,0,0]=3 2642 B7R1.4 O[C@@H]1CCC[C@@H]1C 1P002R27 [1,0,0,1,0,0|0,0,0]=2 2643 B7R1.4 O[C@@H]1CCC[C@@H]1N 1P0013H6 [1,0,0,1,0,0|1,0,0]=3 2644 B7R1.4 O[C@@H]1CCC[C@@H]1O 1P00DCJ3 [1,0,0,1,0,0|1,0,0]=3 2645 B7R1.4 O[C@@H]1CCC[C@H]1C 1P002R28 [1,0,0,1,0,0|0,0,0]=2 2646 B7R1.4 O[C@@H]1CCC[C@H]1N 1P003662 [1,0,0,1,0,0|1,0,0]=3 2647 B7R1.4 O[C@@H]1CCC[C@H]1O 1P003BES [1,0,0,1,0,0|1,0,0]=3 2648 B7R1.4 O[C@@H]1CCN[C@H]1C 1P01B8DB [1,0,0,1,0,0|1,0,0]=3 2649 B7R1.4 O[C@@H]1CNC[C@@H]1O 1P0039YU [1,0,0,1,0,0|2,0,0]=4 2650 B7R1.4 O[C@@H]1CNC[C@H]1C 1P028P0R [1,0,0,1,0,0|1,0,0]=3 2651 B7R1.4 O[C@@H]1CNC[C@H]1N 1P028GSI [1,0,0,1,0,0|2,0,0]=4 2652 B7R1.4 O[C@@H]1CNC[C@H]1O 1P003APN [1,0,0,1,0,0|2,0,0]=4 2653 B7R1.4 O[C@@H]1CNC[C@H]1O 1P00ADCF [1,0,0,1,0,0|2,0,0]=4 2654 B7R1.4 O[C@@H]1COC[C@@H]1N 1P00DWPL [1,0,0,1,0,0|1,0,0]=3 2655 B7R1.4 O[C@@H]1COC[C@@H]1N 1P00ILJZ [1,0,0,1,0,0|1,0,0]=3 2656 B7R1.4 O[C@@H]1COC[C@@H]1O 1P003ACE [1,0,0,1,0,0|1,0,0]=3 2657 B7R1.4 O[C@@H]1COC[C@H]1C 1P028HPJ [1,0,0,1,0,0|0,0,0]=2 2658 B7R1.4 O[C@@H]1COC[C@H]1N 1P003AXA [1,0,0,1,0,0|1,0,0]=3 2659 B7R1.4 O[C@@H]1COC[C@H]1N 1P01BD0K [1,0,0,1,0,0|1,0,0]=3 2660 B7R1.4 O[C@H]1CCC[C@@H]1C 1P01E8JT [1,0,0,1,0,0|0,0,0]=2 2661 B7R1.4 O[C@H]1CCC[C@@H]1N 1P003663 [1,0,0,1,0,0|1,0,0]=3 2662 B7R1.4 O[C@H]1CCC[C@@H]1N 1P00EI3F [1,0,0,1,0,0|1,0,0]=3 2663 B7R1.4 O[C@H]1CCC[C@@H]1N 1P00I6HD [1,0,0,1,0,0|1,0,0]=3 2664 B7R1.4 O[C@H]1CCC[C@@H]1O 1P00E936 [1,0,0,1,0,0|1,0,0]=3 2665 B7R1.4 O[C@H]1CCC[C@H]1N 1P00352Q [1,0,0,1,0,0|1,0,0]=3 2666 B7R1.4 O[C@H]1CCN[C@@H]1C 1P01PAQL [1,0,0,1,0,0|1,0,0]=3 2667 B7R1.4 O[C@H]1CCN[C@H]1C 1P01E88W [1,0,0,1,0,0|1,0,0]=3 2668 B7R1.4 O[C@H]1CNC[C@@H]1C 1P002TYQ [1,0,0,1,0,0|1,0,0]=3 2669 B7R1.4 O[C@H]1CNC[C@@H]1O 1P002UW7 [1,0,0,1,0,0|2,0,0]=4 2670 B7R1.4 O[C@H]1CNC[C@@H]1O 1P006E9R [1,0,0,1,0,0|2,0,0]=4 2671 B7R1.4 O[C@H]1CNC[C@H]1C 1P002TZU [1,0,0,1,0,0|1,0,0]=3 2672 B7R1.4 O[C@H]1CNC[C@H]1C 1P01K8GK [1,0,0,1,0,0|1,0,0]=3 2673 B7R1.4 O[C@H]1COC[C@@H]1C 1P00I856 [1,0,0,1,0,0|0,0,0]=2 2674 B7R1.4 O[C@H]1COC[C@@H]1N 1P002FAF [1,0,0,1,0,0|1,0,0]=3 2675 B7R1.4 O[C@H]1COC[C@@H]1N 1P00BFVI [1,0,0,1,0,0|1,0,0]=3 2676 B7R1.4 O[C@H]1COC[C@@H]1N 1P00C780 [1,0,0,1,0,0|1,0,0]=3 2677 B7R1.4 O[C@H]1COC[C@@H]1O 1P004ZNU [1,0,0,1,0,0|1,0,0]=3 2678 B7R1.4 O[C@H]1COC[C@H]1C 1P027N5M [1,0,0,1,0,0|0,0,0]=2 2679 B7R1.4 O[C@H]1COC[C@H]1N 1P00AEA6 [1,0,0,1,0,0|1,0,0]=3 2680 B7R1.4 SC1CCOC1C 1P003I7F [1,0,0,1,0,0|1,0,0]=3 2681 B7R1.5 CC1CC1CCN 1P028C8I [1,0,0,1,0,0|1,0,0]=3 2682 B7R1.5 CCOC1CC1N 1P00K8SQ [1,0,0,1,0,0|1,0,0]=3 2683 B7R1.5 CCO[C@@H]1C[C@H]1Br 1P027ZFY [1,0,0,1,0,0|1,0,0]=3 2684 B7R1.5 CNCC1CC1C 1P027ZCX [1,0,0,1,0,0|2,0,0]=4 2685 B7R1.5 COC[C@@H]1C[C@H]1N 1P0288YF [1,0,0,1,0,0|2,0,0]=4 2686 B7R1.5 COC[C@@H]1C[C@H]1N 1P028INU [1,0,0,1,0,0|2,0,0]=4 2687 B7R1.5 COC[C@H]1C[C@@H]1N 1P028F77 [1,0,0,1,0,0|2,0,0]=4 2688 B7R1.5 NNCC1CC1C 1P019XT7 [1,0,0,1,0,0|2,0,0]=4 2689 B7R1.6 BrCCC1CCC1 1P01C4OF [1,0,0,1,0,0|1,0,0]=3 2690 B7R1.6 BrCCC1COC1 1P0204ZL [1,0,0,1,0,0|2,0,0]=4 2691 B7R1.6 BrCCN1CCC1 1P01FION [1,0,0,1,0,0|2,0,0]=4 2692 B7R1.6 C#CCC1CCC1 1P02891W [1,0,0,1,0,0|1,0,1]=4 2693 B7R1.6 CCCC1CCS1 1P01HA0Z [1,0,0,1,0,0|0,1,0]=3 2694 B7R1.6 CCCC1CNC1 1P01JM7C [1,0,0,1,0,0|2,0,0]=4 2695 B7R1.6 CCCC1CNC1 1P01JWSU [1,0,0,1,0,0|2,0,0]=4 2696 B7R1.6 CCNC1CCC1 1P018SF4 [1,0,0,1,0,0|1,0,0]=3 2697 B7R1.6 CCNC1CNC1 1P00B8J1 [1,0,0,1,0,0|2,0,0]=4 2698 B7R1.6 CCNC1COC1 1P00AB09 [1,0,0,1,0,0|2,0,0]=4 2699 B7R1.6 CCOC1CNC1 1P00D9JX [1,0,0,1,0,0|1,0,0]=3 2700 B7R1.6 CNCC1CCC1 1P009Z7Q [1,0,0,1,0,0|2,0,0]=4 2701 B7R1.6 CNCC1CCC1 1P00J3LC [1,0,0,1,0,0|2,0,0]=4 2702 B7R1.6 CNCC1CCN1 1P028WB2 [1,0,0,1,0,0|2,0,0]=4 2703 B7R1.6 CNCC1CCO1 1P01XAB4 [1,0,0,1,0,0|1,0,0]=3 2704 B7R1.6 CNC[C@@H]1CCO1 1P0285XI [1,0,0,1,0,0|1,0,0]=3 2705 B7R1.6 CNC[C@H]1CCO1 1P028S78 [1,0,0,1,0,0|1,0,0]=3 2706 B7R1.6 COCC1CCN1 1P000Z8C [1,0,0,1,0,0|2,0,0]=4 2707 B7R1.6 COCC1CCN1 1P01AMGU [1,0,0,1,0,0|2,0,0]=4 2708 B7R1.6 COC[C@@H]1CCN1 1P00II4T [1,0,0,1,0,0|2,0,0]=4 2709 B7R1.6 COC[C@H]1CCN1 1P00II4W [1,0,0,1,0,0|2,0,0]=4 2710 B7R1.6 CONC1CCC1 1P028KS3 [1,0,0,1,0,0|2,0,0]=4 2711 B7R1.6 ClCCN1CCC1 1P000E7R [1,0,0,1,0,0|2,0,0]=4 2712 B7R1.6 ClCOC1CCC1 1P01BC0Y [1,0,0,1,0,0|1,0,0]=3 2713 B7R1.6 ICCC1CCC1 1P028IQG [1,0,0,1,0,0|1,0,0]=3 2714 B7R1.6 ICCC1CCO1 1P01JUQV [1,0,0,1,0,0|1,0,0]=3 2715 B7R1.6 ICCC1COC1 1P01DZDP [1,0,0,1,0,0|2,0,0]=4 2716 B7R1.6 N#CCC1CCC1 1P00DDI7 [1,0,0,1,0,0|1,0,1]=4 2717 B7R1.6 NCCC1CCC1 1P00EA85 [1,0,0,1,0,0|1,0,0]=3 2718 B7R1.6 NCCC1CCC1 1P00J2Q0 [1,0,0,1,0,0|1,0,0]=3 2719 B7R1.6 NCCC1CCO1 1P00ILQY [1,0,0,1,0,0|1,0,0]=3 2720 B7R1.6 NCCC1COC1 1P000O0R [1,0,0,1,0,0|2,0,0]=4 2721 B7R1.6 NCCC1CSC1 1P01C4DJ [1,0,0,1,0,0|2,0,0]=4 2722 B7R1.6 NCCN1CCC1 1P00IDIK [1,0,0,1,0,0|2,0,0]=4 2723 B7R1.6 NCC[C@@H]1CCO1 1P01JUR4 [1,0,0,1,0,0|1,0,0]=3 2724 B7R1.6 NNCC1CCC1 1P000N22 [1,0,0,1,0,0|2,0,0]=4 2725 B7R1.6 NOCC1CCC1 1P01B67G [1,0,0,1,0,0|2,0,0]=4 2726 B7R1.6 O=CCC1CCC1 1P006S59 [1,0,0,1,0,0|0,0,2]=4 2727 B7R1.6 OCC=C1CCC1 1P01A5JW [1,0,0,1,0,0|0,0,2]=4 2728 B7R1.6 OCCC1CCC1 1P003AJ0 [1,0,0,1,0,0|0,0,0]=2 2729 B7R1.6 OCCC1CCO1 1P00ILI6 [1,0,0,1,0,0|1,0,0]=3 2730 B7R1.6 OCCC1CNC1 1P00G8QI [1,0,0,1,0,0|1,0,0]=3 2731 B7R1.6 OCCC1CNC1 1P00HYIO [1,0,0,1,0,0|1,0,0]=3 2732 B7R1.6 OCCC1COC1 1P002RA8 [1,0,0,1,0,0|1,0,0]=3 2733 B7R1.6 OCCC1CSC1 1P01BG4T [1,0,0,1,0,0|1,0,0]=3 2734 B7R1.6 OCCN1CCC1 1P00630G [1,0,0,1,0,0|1,0,0]=3 2735 B7R1.6 OCC[C@@H]1CCO1 1P01JUSQ [1,0,0,1,0,0|1,0,0]=3 2736 B7R1.6 SCCC1CCC1 1P0291DM [1,0,0,1,0,0|0,1,0]=3 2737 B7R1.7 BrCCCC1CC1 1P01BTWI [1,0,0,1,0,0|1,0,0]=3 2738 B7R1.7 BrCCCC1CO1 1P01BD0F [1,0,0,1,0,0|1,0,0]=3 2739 B7R1.7 BrCCOC1CC1 1P01B71N [1,0,0,1,0,0|1,0,0]=3 2740 B7R1.7 C#CCCC1CC1 1P028XEA [1,0,0,1,0,0|1,0,1]=4 2741 B7R1.7 C=CCCC1CO1 1P003DVN [1,0,0,1,0,0|0,0,2]=4 2742 B7R1.7 C=CCC[C@@H]1CO1 1P00147E [1,0,0,1,0,0|0,0,2]=4 2743 B7R1.7 C=CCC[C@H]1CO1 1P00147D [1,0,0,1,0,0|0,0,2]=4 2744 B7R1.7 CCCCC1CO1 1P003DVT [1,0,0,1,0,0|0,0,0]=2 2745 B7R1.7 CCCNC1CC1 1P0064A7 [1,0,0,1,0,0|2,0,0]=4 2746 B7R1.7 CCCNC1CC1 1P019TR3 [1,0,0,1,0,0|2,0,0]=4 2747 B7R1.7 CCNCC1CC1 1P002TGR [1,0,0,1,0,0|1,0,0]=3 2748 B7R1.7 CCNCC1CC1 1P01ACSE [1,0,0,1,0,0|1,0,0]=3 2749 B7R1.7 CCOCC1CO1 1P003QVT [1,0,0,1,0,0|1,0,0]=3 2750 B7R1.7 CNCCC1CC1 1P001ILJ [1,0,0,1,0,0|2,0,0]=4 2751 B7R1.7 CNCCC1CC1 1P001SUG [1,0,0,1,0,0|2,0,0]=4 2752 B7R1.7 COCCC1CO1 1P01BDY7 [1,0,0,1,0,0|1,0,0]=3 2753 B7R1.7 CONCC1CC1 1P028BML [1,0,0,1,0,0|2,0,0]=4 2754 B7R1.7 ClCCNC1CC1 1P01C65P [1,0,0,1,0,0|2,0,0]=4 2755 B7R1.7 ClCCOC1CC1 1P0025L5 [1,0,0,1,0,0|1,0,0]=3 2756 B7R1.7 ClCOCC1CC1 1P0084ME [1,0,0,1,0,0|1,0,0]=3 2757 B7R1.7 FCCNC1CC1 1P028FE3 [1,0,0,1,0,0|2,0,0]=4 2758 B7R1.7 ICCCC1CC1 1P028D2B [1,0,0,1,0,0|1,0,0]=3 2759 B7R1.7 ICCCC1CO1 1P028IE9 [1,0,0,1,0,0|1,0,0]=3 2760 B7R1.7 N#CCCC1CC1 1P01A3MC [1,0,0,1,0,0|1,0,1]=4 2761 B7R1.7 NCCCC1CC1 1P00ELHZ [1,0,0,1,0,0|1,0,0]=3 2762 B7R1.7 NCCCC1CC1 1P01AK1R [1,0,0,1,0,0|1,0,0]=3 2763 B7R1.7 NCCNC1CC1 1P00ELA0 [1,0,0,1,0,0|2,0,0]=4 2764 B7R1.7 NNCCC1CC1 1P0293CU [1,0,0,1,0,0|2,0,0]=4 2765 B7R1.7 O=CCCC1CC1 1P00DKQ3 [1,0,0,1,0,0|0,0,2]=4 2766 B7R1.7 OCC#CC1CC1 1P0006L8 [1,0,0,1,0,0|0,0,2]=4 2767 B7R1.7 OCCCC1CC1 1P00DIF9 [1,0,0,1,0,0|0,0,0]=2 2768 B7R1.7 OCCNC1CC1 1P00CMB1 [1,0,0,1,0,0|1,0,0]=3 2769 B7R1.7 OCCOC1CC1 1P002DPU [1,0,0,1,0,0|0,0,0]=2 2770 B7R1.7 OC\C=C/C1CC1 1P0287QQ [1,0,0,1,0,0|0,0,2]=4 2771 B7R1.7 OC\C=C\C1CC1 1P001RIK [1,0,0,1,0,0|0,0,2]=4 2772 B7R1.7 ON=CCC1CC1 1P01EK78 [1,0,0,1,0,0|1,0,1]=4 2773 B7R1.7 SCCCC1CC1 1P029189 [1,0,0,1,0,0|0,1,0]=3 2774 B7R1.7 SCCOC1CC1 1P028VKB [1,0,0,1,0,0|0,1,0]=3 2775 B7R1.7 [C-]#[N+]CCC1CC1 1P028U1A [1,0,0,1,0,0|2,0,0]=4 2776 B7R1.8 CC1CCC1CN 1P028C00 [1,0,0,1,0,0|1,0,0]=3 2777 B7R1.8 CC1CNC1CO 1P027WZ6 [1,0,0,1,0,0|1,0,0]=3 2778 B7R1.8 CCC1CCC1=O 1P008TOV [1,0,0,1,0,0|0,0,2]=4 2779 B7R1.8 CN1CCC1CN 1P00HV1P [1,0,0,1,0,0|2,0,0]=4 2780 B7R1.8 CN1CCC1CO 1P01BUP0 [1,0,0,1,0,0|1,0,0]=3 2781 B7R1.8 CN1CC[C@@H]1CO 1P01KA98 [1,0,0,1,0,0|1,0,0]=3 2782 B7R1.8 CN1CC[C@H]1CN 1P0201VZ [1,0,0,1,0,0|2,0,0]=4 2783 B7R1.8 CN1CC[C@H]1CO 1P000VWA [1,0,0,1,0,0|1,0,0]=3 2784 B7R1.8 CNC1CCC1C 1P027VP9 [1,0,0,1,0,0|2,0,0]=4 2785 B7R1.8 CN[C@@H]1CC[C@H]1O 1P024O8G [1,0,0,1,0,0|1,0,0]=3 2786 B7R1.8 CO[C@@H]1CC[C@H]1Br 1P028K6J [1,0,0,1,0,0|2,0,0]=4 2787 B7R1.8 CO[C@@H]1CC[C@H]1O 1P0290K0 [1,0,0,1,0,0|1,0,0]=3 2788 B7R1.8 CO[C@H]1CC[C@@H]1N 1P01KAEY [1,0,0,1,0,0|2,0,0]=4 2789 B7R1.8 CO[C@H]1CC[C@H]1N 1P01KAG0 [1,0,0,1,0,0|2,0,0]=4 2790 B7R1.8 CSC1CCC1N 1P028EVO [1,0,0,1,0,0|2,0,0]=4 2791 B7R1.8 CSC1CCC1O 1P0285L2 [1,0,0,1,0,0|1,0,0]=3 2792 B7R1.8 C[C@@H]1CC[C@@H]1CBr 1P028YW2 [1,0,0,1,0,0|1,0,0]=3 2793 B7R1.8 C[C@@H]1CC[C@@H]1CO 1P029257 [1,0,0,1,0,0|0,0,0]=2 2794 B7R1.8 C[C@@H]1CC[C@H]1CN 1P027XY8 [1,0,0,1,0,0|1,0,0]=3 2795 B7R1.8 NCC1CCC1F 1P01FMQX [1,0,0,1,0,0|2,0,0]=4 2796 B7R1.8 NC[C@@H]1CCN1C 1P01XDF4 [1,0,0,1,0,0|2,0,0]=4 2797 B7R1.8 NC[C@@H]1CC[C@@H]1O 1P028HUW [1,0,0,1,0,0|1,0,0]=3 2798 B7R1.8 NC[C@@H]1CC[C@H]1O 1P028W6T [1,0,0,1,0,0|1,0,0]=3 2799 B7R1.8 NC[C@H]1CC[C@@H]1O 1P027WNT [1,0,0,1,0,0|1,0,0]=3 2800 B7R1.8 NC[C@H]1CC[C@H]1O 1P027WVA [1,0,0,1,0,0|1,0,0]=3 2801 B7R1.8 N[C@@H]1CC[C@@H]1CO 1P028PD3 [1,0,0,1,0,0|1,0,0]=3 2802 B7R1.8 N[C@@H]1CC[C@H]1CF 1P0209PB [1,0,0,1,0,0|2,0,0]=4 2803 B7R1.8 N[C@@H]1CC[C@H]1CO 1P028FJ7 [1,0,0,1,0,0|1,0,0]=3 2804 B7R1.8 OCC1CCC1=O 1P00I4ZH [1,0,0,1,0,0|1,0,1]=4 2805 B7R1.8 OCC1CCC1F 1P01DXWO [1,0,0,1,0,0|1,0,0]=3 2806 B7R1.8 OC[C@@H]1CC[C@H]1O 1P027UXG [1,0,0,1,0,0|1,0,0]=3 2807 B7R1.8 OC[C@@H]1NC[C@H]1O 1P028XO4 [1,0,0,1,0,0|2,0,0]=4 2808 B7R1.8 O[C@@H]1CC[C@@H]1CS 1P0284U2 [1,0,0,1,0,0|1,0,0]=3 2809 B7R1.8 O[C@@H]1CC[C@H]1CS 1P0284O0 [1,0,0,1,0,0|1,0,0]=3 2810 B7R1.9 BrCC1CC1CBr 1P0293IX [1,0,0,1,0,0|2,0,0]=4 2811 B7R1.9 CCC1CC1C=O 1P02924W [1,0,0,1,0,0|0,0,2]=4 2812 B7R1.9 CCC1OC1CBr 1P028HVD [1,0,0,1,0,0|1,0,0]=3 2813 B7R1.9 CC[C@@H]1C[C@@H]1CO 1P028W6W [1,0,0,1,0,0|0,0,0]=2 2814 B7R1.9 CC[C@@H]1C[C@H]1CBr 1P01BJQT [1,0,0,1,0,0|1,0,0]=3 2815 B7R1.9 CC[C@@H]1C[C@H]1CN 1P01C1KB [1,0,0,1,0,0|1,0,0]=3 2816 B7R1.9 CC[C@@H]1C[C@H]1CO 1P00D3SV [1,0,0,1,0,0|0,0,0]=2 2817 B7R1.9 ClCC1CC1CCl 1P028WHQ [1,0,0,1,0,0|2,0,0]=4 2818 B7R1.9 ClC[C@@H]1C[C@@H]1CCl 1P0290XY [1,0,0,1,0,0|2,0,0]=4 2819 B7R1.9 ClC[C@@H]1O[C@@H]1CCl 1P00JOTB [1,0,0,1,0,0|2,0,0]=4 2820 B7R1.9 NCC1CC1CO 1P00ACAI [1,0,0,1,0,0|1,0,0]=3 2821 B7R1.9 NC[C@@H]1C[C@@H]1CF 1P028EFA [1,0,0,1,0,0|2,0,0]=4 2822 B7R1.9 NC[C@@H]1C[C@@H]1CN 1P01JV1C [1,0,0,1,0,0|2,0,0]=4 2823 B7R1.9 NC[C@@H]1C[C@H]1CN 1P01JV1U [1,0,0,1,0,0|2,0,0]=4 2824 B7R1.9 NC[C@@H]1C[C@H]1CO 1P001ZH3 [1,0,0,1,0,0|1,0,0]=3 2825 B7R1.9 NC[C@H]1C[C@H]1CO 1P0007FA [1,0,0,1,0,0|1,0,0]=3 2826 B7R1.9 OCC1CC1C#N 1P0030TX [1,0,0,1,0,0|1,0,1]=4 2827 B7R1.9 OCC1CC1C=C 1P01IP0E [1,0,0,1,0,0|0,0,2]=4 2828 B7R1.9 OC[C@@H]1C[C@@H]1C#C 1P01C3KM [1,0,0,1,0,0|0,0,2]=4 2829 B7R1.9 OC[C@@H]1C[C@@H]1C#N 1P027IXO [1,0,0,1,0,0|1,0,1]=4 2830 B7R1.9 OC[C@@H]1C[C@@H]1CF 1P028T7M [1,0,0,1,0,0|1,0,0]=3 2831 B7R1.9 OC[C@@H]1C[C@@H]1CO 1P002NRN [1,0,0,1,0,0|1,0,0]=3 2832 B7R1.9 OC[C@@H]1C[C@H]1C=C 1P028ITE [1,0,0,1,0,0|0,0,2]=4 2833 B7R1.9 OC[C@@H]1C[C@H]1CO 1P028DQN [1,0,0,1,0,0|1,0,0]=3 2834 B7R1.24 C1CCC=CCC1 1P003PL0 [1,0,0,1,0,0|1,0,1]=4 2835 B7R1.24 C1CCCCOC1 1P003RDE [1,0,0,1,0,0|0,0,0]=2 2836 B7R1.24 C1CCCNOC1 1P01BD7K [1,0,0,1,0,0|1,0,0]=3 2837 B7R1.24 C1CNCCNC1 1P0035GQ [1,0,0,1,0,0|2,0,0]=4 2838 B7R1.24 C1CNCCOC1 1P0026DQ [1,0,0,1,0,0|1,0,0]=3 2839 B7R1.24 C1CNCCOC1 1P00ED3S [1,0,0,1,0,0|1,0,0]=3 2840 B7R1.24 C1CNCCSC1 1P0004CX [1,0,0,1,0,0|1,1,0]=4 2841 B7R1.24 C1CNNCCO1 1P00D7ZN [1,0,0,1,0,0|2,0,0]=4 2842 B7R1.24 C1CNNCCO1 1P01C4NW [1,0,0,1,0,0|2,0,0]=4 2843 B7R1.24 C1COCCON1 1P01EKI2 [1,0,0,1,0,0|1,0,0]=3 2844 B9R1.2 BrCC1CCCC(C1)C 1P01A4RF [0,1,0,1,0,0|2,0,0]=4 2845 B9R1.2 BrCC1CCCC(C1)F 1P01DWB6 [0,1,0,1,0,0|2,0,0]=4 2846 B9R1.2 BrCC1CCCC(C1)O 1P028LQF [0,1,0,1,0,0|2,0,0]=4 2847 B9R1.2 CC1CC(CO)CNC1 1P01C4AW [0,1,0,1,0,0|2,0,0]=4 2848 B9R1.2 CC1CNCC(O1)CO 1P01AGPG [0,1,0,1,0,0|1,0,0]=3 2849 B9R1.2 CC1COCC(O1)CN 1P028AUA [0,1,0,1,0,0|1,0,0]=3 2850 B9R1.2 CC1COCC(O1)CO 1P0282GJ [0,1,0,1,0,0|1,0,0]=3 2851 B9R1.2 CCC1CC(=O)CCO1 1P00D327 [0,1,0,1,0,0|1,0,0]=3 2852 B9R1.2 CCC1CC(N)CCO1 1P01AIO5 [0,1,0,1,0,0|1,0,0]=3 2853 B9R1.2 CCC1CC(O)CCO1 1P01A5QF [0,1,0,1,0,0|1,0,0]=3 2854 B9R1.2 CCC1CCCC(=O)C1 1P007OXD [0,1,0,1,0,0|2,0,0]=4 2855 B9R1.2 CCC1CCCC(=O)O1 1P007IBP [0,1,0,1,0,0|1,0,1]=4 2856 B9R1.2 CCC1CCCC(C1)N 1P01AJES [0,1,0,1,0,0|2,0,0]=4 2857 B9R1.2 CCC1CCCC(C1)O 1P00DJHN [0,1,0,1,0,0|1,0,0]=3 2858 B9R1.2 CCC1CNCC(C1)C 1P028MG4 [0,1,0,1,0,0|2,0,0]=4 2859 B9R1.2 CCC1CNCC(O1)C 1P01AHU0 [0,1,0,1,0,0|1,0,0]=3 2860 B9R1.2 CCC1COCC(=O)N1 1P008PA4 [0,1,0,1,0,0|0,0,2]=4 2861 B9R1.2 CCC1NCCN(C1)C 1P01AHU5 [0,1,0,1,0,0|2,0,0]=4 2862 B9R1.2 CCC1NCCN(C1)C 1P01JUWY [0,1,0,1,0,0|2,0,0]=4 2863 B9R1.2 CCN1CCCC(C1)O 1P003ES3 [0,1,0,1,0,0|2,0,0]=4 2864 B9R1.2 CC[C@@H]1CCC[C@@H](N1)C 1P01B7FZ [0,1,0,1,0,0|2,0,0]=4 2865 B9R1.2 CC[C@@H]1C[C@H](N)CCO1 1P028KR8 [0,1,0,1,0,0|1,0,0]=3 2866 B9R1.2 CC[C@@H]1C[C@H](O)CCN1 1P01EI5S [0,1,0,1,0,0|2,0,0]=4 2867 B9R1.2 CC[C@@H]1NCCN(C1)C 1P01JV9I [0,1,0,1,0,0|2,0,0]=4 2868 B9R1.2 CN1CC(CBr)OCC1 1P01FIOH [0,1,0,1,0,0|2,0,0]=4 2869 B9R1.2 CN1CC(CCl)OCC1 1P01A9L1 [0,1,0,1,0,0|2,0,0]=4 2870 B9R1.2 CN1CC(CN)OCC1 1P001HPM [0,1,0,1,0,0|2,0,0]=4 2871 B9R1.2 CN1CC(CN)OCC1 1P00J2D4 [0,1,0,1,0,0|2,0,0]=4 2872 B9R1.2 CN1CC(CO)NCC1 1P00G55O [0,1,0,1,0,0|2,0,0]=4 2873 B9R1.2 CN1CC(CO)OCC1 1P003CCZ [0,1,0,1,0,0|1,0,0]=3 2874 B9R1.2 CN1C[C@@H](CN)OCC1 1P00GIA2 [0,1,0,1,0,0|2,0,0]=4 2875 B9R1.2 CN1C[C@@H](CO)OCC1 1P000HOB [0,1,0,1,0,0|1,0,0]=3 2876 B9R1.2 CN1C[C@H](CN)OCC1 1P00G7KU [0,1,0,1,0,0|2,0,0]=4 2877 B9R1.2 CN1C[C@H](CO)OCC1 1P000HOA [0,1,0,1,0,0|1,0,0]=3 2878 B9R1.2 CNC1CCCC(C1)O 1P02864R [0,1,0,1,0,0|2,0,0]=4 2879 B9R1.2 COC1CC(O)CNC1 1P028LPJ [0,1,0,1,0,0|2,0,0]=4 2880 B9R1.2 COC1CCCC(C1)O 1P00ILX5 [0,1,0,1,0,0|2,0,0]=4 2881 B9R1.2 CO[C@@H]1CCC[C@@H](C1)O 1P01DY4H [0,1,0,1,0,0|2,0,0]=4 2882 B9R1.2 CO[C@@H]1C[C@@H](O)CNC1 1P0286TG [0,1,0,1,0,0|2,0,0]=4 2883 B9R1.2 CO[C@@H]1C[C@H](O)CNC1 1P024SKV [0,1,0,1,0,0|2,0,0]=4 2884 B9R1.2 CO[C@H]1C[C@@H](O)CNC1 1P0283WS [0,1,0,1,0,0|2,0,0]=4 2885 B9R1.2 CO[C@H]1C[C@H](O)CNC1 1P024SKU [0,1,0,1,0,0|2,0,0]=4 2886 B9R1.2 CSC1CCCC(C1)O 1P01C8KE [0,1,0,1,0,0|2,0,0]=4 2887 B9R1.2 C[C@@H]1CNC[C@@H](O1)CO 1P021NES [0,1,0,1,0,0|1,0,0]=3 2888 B9R1.2 C[C@@H]1CNC[C@H](O1)CO 1P021NEP [0,1,0,1,0,0|1,0,0]=3 2889 B9R1.2 C[C@H]1CNC[C@H](O1)CO 1P021NEU [0,1,0,1,0,0|1,0,0]=3 2890 B9R1.2 ClCC1CCCC(C1)O 1P01ALW3 [0,1,0,1,0,0|2,0,0]=4 2891 B9R1.2 ICC1CCCC(O1)C 1P0292CJ [0,1,0,1,0,0|1,0,0]=3 2892 B9R1.2 NC1CC(CO)OCC1 1P0288QL [0,1,0,1,0,0|0,0,0]=2 2893 B9R1.2 NC1CC(OCC1)C#C 1P028IDK [0,1,0,1,0,0|1,0,1]=4 2894 B9R1.2 NCC1CCCC(C1)C 1P019XKJ [0,1,0,1,0,0|2,0,0]=4 2895 B9R1.2 NCC1CCCC(C1)F 1P01C5BB [0,1,0,1,0,0|2,0,0]=4 2896 B9R1.2 NCC1CCCC(C1)N 1P00IKDA [0,1,0,1,0,0|2,0,0]=4 2897 B9R1.2 NCC1CCCC(C1)O 1P000DEF [0,1,0,1,0,0|2,0,0]=4 2898 B9R1.2 NCC1CCCC(O1)C 1P01B690 [0,1,0,1,0,0|1,0,0]=3 2899 B9R1.2 NCC1OCCN(C1)C 1P00CHAT [0,1,0,1,0,0|2,0,0]=4 2900 B9R1.2 NC[C@H]1CCC[C@H](C1)O 1P01K18D [0,1,0,1,0,0|2,0,0]=4 2901 B9R1.2 NC[C@H]1CCC[C@H](N1)C 1P027YHA [0,1,0,1,0,0|2,0,0]=4 2902 B9R1.2 OCC1CC(=O)CCO1 1P0222X2 [0,1,0,1,0,0|0,0,1]=3 2903 B9R1.2 OCC1CCCC(=O)N1 1P00203X [0,1,0,1,0,0|1,0,1]=4 2904 B9R1.2 OCC1CCCC(C1)C 1P01A55Z [0,1,0,1,0,0|1,0,0]=3 2905 B9R1.2 OCC1CCCC(C1)N 1P00H5QJ [0,1,0,1,0,0|1,0,0]=3 2906 B9R1.2 OCC1CCCC(O1)C 1P0284M8 [0,1,0,1,0,0|0,0,0]=2 2907 B9R1.2 OCC1CCCN(C1)C 1P003EYI [0,1,0,1,0,0|2,0,0]=4 2908 B9R1.2 OCC1CCNC(C1)C 1P019TC2 [0,1,0,1,0,0|2,0,0]=4 2909 B9R1.2 OCC1CCOC(C1)C 1P01A5JQ [0,1,0,1,0,0|2,0,0]=4 2910 B9R1.2 OCC1NCCN(C1)C 1P01JJ2C [0,1,0,1,0,0|2,0,0]=4 2911 B9R1.2 OCC1OCCC(C1)N 1P01KX7D [0,1,0,1,0,0|0,0,0]=2 2912 B9R1.2 OC[C@@H]1CCCC(=O)N1 1P000YT8 [0,1,0,1,0,0|1,0,1]=4 2913 B9R1.2 OC[C@@H]1CCCN(C1)C 1P002AE5 [0,1,0,1,0,0|2,0,0]=4 2914 B9R1.2 OC[C@@H]1CCC[C@@H](C1)N 1P00J3QP [0,1,0,1,0,0|1,0,0]=3 2915 B9R1.2 OC[C@@H]1CCC[C@@H](C1)N 1P00J3W6 [0,1,0,1,0,0|1,0,0]=3 2916 B9R1.2 OC[C@@H]1CCC[C@@H](C1)O 1P01EJ3P [0,1,0,1,0,0|1,0,0]=3 2917 B9R1.2 OC[C@@H]1CCC[C@H](C1)N 1P01KHGU [0,1,0,1,0,0|1,0,0]=3 2918 B9R1.2 OC[C@@H]1NCC[C@@H](C1)O 1P020IRI [0,1,0,1,0,0|1,0,0]=3 2919 B9R1.2 OC[C@H]1CCCC(=O)N1 1P00734T [0,1,0,1,0,0|1,0,1]=4 2920 B9R1.2 OC[C@H]1CCCN(C1)C 1P002AE1 [0,1,0,1,0,0|2,0,0]=4 2921 B9R1.2 OC[C@H]1CCC[C@H](C1)O 1P027UDF [0,1,0,1,0,0|1,0,0]=3 2922 B9R1.2 OC[C@H]1CCC[C@H](N1)C 1P01BSD4 [0,1,0,1,0,0|1,0,0]=3 2923 B9R1.2 OC[C@H]1CCC[C@H](N1)C 1P027US4 [0,1,0,1,0,0|1,0,0]=3 2924 B9R1.2 OC[C@H]1CCC[C@H](O1)C 1P0284KG [0,1,0,1,0,0|0,0,0]=2 2925 B9R1.2 OC[C@H]1CCN[C@H](C1)C 1P01BC7W [0,1,0,1,0,0|2,0,0]=4 2926 B9R1.2 OC[C@H]1CCO[C@@H](C1)C 1P028Q3G [0,1,0,1,0,0|2,0,0]=4 2927 B9R1.2 OC[C@H]1NCC[C@H](C1)O 1P021VKQ [0,1,0,1,0,0|1,0,0]=3 2928 B9R1.2 OC[C@H]1OCC[C@H](C1)O 1P027Y0R [0,1,0,1,0,0|0,0,0]=2 2929 B9R1.7 BrCCN1CCC(C1)C 1P019ZF5 [0,1,0,1,0,0|2,0,0]=4 2930 B9R1.7 CC1CCC(O1)CCN 1P01C7ZU [0,1,0,1,0,0|2,0,0]=4 2931 B9R1.7 CC1CCC(O1)CCO 1P01EMUC [0,1,0,1,0,0|1,0,0]=3 2932 B9R1.7 CCCC1CCC(=O)O1 1P00HB0Y [0,1,0,1,0,0|1,0,1]=4 2933 B9R1.7 CCCC1CCC(C1)N 1P01DVQV [0,1,0,1,0,0|2,0,0]=4 2934 B9R1.7 CCCN1CCC(C1)N 1P00J31L [0,1,0,1,0,0|2,0,0]=4 2935 B9R1.7 CNCC1OCC(C1)C 1P028KW0 [0,1,0,1,0,0|2,0,0]=4 2936 B9R1.7 CNC[C@H]1NC[C@@H](C1)O 1P01C2PC [0,1,0,1,0,0|2,0,0]=4 2937 B9R1.7 COCC1CC(CN1)O 1P01C3A6 [0,1,0,1,0,0|2,0,0]=4 2938 B9R1.7 COC[C@@H]1C[C@@H](CN1)O 1P01C3C5 [0,1,0,1,0,0|2,0,0]=4 2939 B9R1.7 COC[C@@H]1C[C@H](CN1)O 1P01C5RU [0,1,0,1,0,0|2,0,0]=4 2940 B9R1.7 COC[C@H]1C[C@@H](CN1)O 1P028IFM [0,1,0,1,0,0|2,0,0]=4 2941 B9R1.7 COC[C@H]1C[C@H](CN1)O 1P01C5XL [0,1,0,1,0,0|2,0,0]=4 2942 B9R1.7 ClCCN1CC[C@H](C1)O 1P01JV8Z [0,1,0,1,0,0|2,0,0]=4 2943 B9R1.7 FCCN1CCC(C1)N 1P01BJHM [0,1,0,1,0,0|2,0,0]=4 2944 B9R1.7 FCCN1CCC(C1)N 1P028KFP [0,1,0,1,0,0|2,0,0]=4 2945 B9R1.7 FCCN1CCC(C1)O 1P01BG4M [0,1,0,1,0,0|2,0,0]=4 2946 B9R1.7 NCCC1CCC(C1)C 1P01FJWC [0,1,0,1,0,0|2,0,0]=4 2947 B9R1.7 NCCC1CCC(C1)F 1P01AC7S [0,1,0,1,0,0|2,0,0]=4 2948 B9R1.7 NCCN1CCC(C1)C 1P019TLQ [0,1,0,1,0,0|2,0,0]=4 2949 B9R1.7 NCCN1CC[C@@H](C1)C 1P028ALF [0,1,0,1,0,0|2,0,0]=4 2950 B9R1.7 NCCN1CC[C@@H](C1)O 1P00DCKA [0,1,0,1,0,0|2,0,0]=4 2951 B9R1.7 NCCN1CC[C@H](C1)O 1P00FD1T [0,1,0,1,0,0|2,0,0]=4 2952 B9R1.7 OCCC1CCN(C1)C 1P00CNQU [0,1,0,1,0,0|2,0,0]=4 2953 B9R1.7 OCCN1CCC(C1)C 1P01A1UE [0,1,0,1,0,0|1,0,0]=3 2954 B9R1.7 OCCN1CCC(C1)O 1P028XGV [0,1,0,1,0,0|1,0,0]=3 2955 B9R1.7 OCC[C@H]1CC[C@H](C1)N 1P024UNJ [0,1,0,1,0,0|1,0,0]=3 2956 B9R1.8 BrCCC1=CCCCC1 1P0073P8 [0,1,0,1,0,0|2,0,0]=4 2957 B9R1.8 BrCCC1CCCCC1 1P001VIR [0,1,0,1,0,0|2,0,0]=4 2958 B9R1.8 BrCCC1CCCCN1 1P00J2AB [0,1,0,1,0,0|2,0,0]=4 2959 B9R1.8 BrCCC1CCCCO1 1P0059G4 [0,1,0,1,0,0|1,0,0]=3 2960 B9R1.8 BrCCC1CCNCC1 1P01FBKH [0,1,0,1,0,0|2,0,0]=4 2961 B9R1.8 BrCCC1CCOCC1 1P00396X [0,1,0,1,0,0|2,0,0]=4 2962 B9R1.8 BrCCC1COCCO1 1P01DTPS [0,1,0,1,0,0|0,0,0]=2 2963 B9R1.8 BrCCC1OCCCO1 1P0033B4 [0,1,0,1,0,0|1,0,0]=3 2964 B9R1.8 BrCCN1CCCCC1 1P003AL4 [0,1,0,1,0,0|2,0,0]=4 2965 B9R1.8 BrCCN1CCCCO1 1P00HUU4 [0,1,0,1,0,0|1,0,0]=3 2966 B9R1.8 BrCCN1CCNCC1 1P0088AQ [0,1,0,1,0,0|2,0,0]=4 2967 B9R1.8 BrCCN1CCOCC1 1P00349A [0,1,0,1,0,0|2,0,0]=4 2968 B9R1.8 BrCCN1CCOCC1 1P0036QB [0,1,0,1,0,0|2,0,0]=4 2969 B9R1.8 C#CCC1CCCCN1 1P01FI21 [0,1,0,1,0,0|2,0,0]=4 2970 B9R1.8 C#CCC1CCCCO1 1P028YRP [0,1,0,1,0,0|1,0,0]=3 2971 B9R1.8 C#CCC1CCCOC1 1P028FFU [0,1,0,1,0,0|1,0,1]=4 2972 B9R1.8 C(C#C)C1CNCCO1 1P0288TS [0,1,0,1,0,0|1,0,1]=4 2973 B9R1.8 C(C#C)C1COCCN1 1P027YP5 [0,1,0,1,0,0|1,0,1]=4 2974 B9R1.8 C(C#N)C1COCCO1 1P01EK4Y [0,1,0,1,0,0|0,0,1]=3 2975 B9R1.8 C=CCC1CCCCN1 1P01SK27 [0,1,0,1,0,0|2,0,0]=4 2976 B9R1.8 C=CCC1CCCCO1 1P01EMOZ [0,1,0,1,0,0|1,0,0]=3 2977 B9R1.8 C=CC[C@@H]1CCCCN1 1P01DUMD [0,1,0,1,0,0|2,0,0]=4 2978 B9R1.8 C=CC[C@H]1CCCCN1 1P01KKJA [0,1,0,1,0,0|2,0,0]=4 2979 B9R1.8 C=COC1CCCCO1 1P003IFE [0,1,0,1,0,0|1,0,1]=4 2980 B9R1.8 CCCC1=NCCCC1 1P00B1B6 [0,1,0,1,0,0|2,0,0]=4 2981 B9R1.8 CCCC1CCCCC1 1P001Y30 [0,1,0,1,0,0|2,0,0]=4 2982 B9R1.8 CCCC1CCCCN1 1P001RYV [0,1,0,1,0,0|2,0,0]=4 2983 B9R1.8 CCCC1CCCNC1 1P019ZZ0 [0,1,0,1,0,0|2,0,0]=4 2984 B9R1.8 CCCC1CCNCC1 1P003MEC [0,1,0,1,0,0|2,0,0]=4 2985 B9R1.8 CCCC1CCNCC1 1P00I8YP [0,1,0,1,0,0|2,0,0]=4 2986 B9R1.8 CCCC1CNCCN1 1P019ZB5 [0,1,0,1,0,0|2,0,0]=4 2987 B9R1.8 CCCC1CNCCO1 1P01A3JF [0,1,0,1,0,0|1,0,0]=3 2988 B9R1.8 CCCC1COCCN1 1P002C2P [0,1,0,1,0,0|1,0,0]=3 2989 B9R1.8 CCCC1COCCN1 1P021YV0 [0,1,0,1,0,0|1,0,0]=3 2990 B9R1.8 CCCN1CCNCC1 1P003BIL [0,1,0,1,0,0|2,0,0]=4 2991 B9R1.8 CCCN1CCNCC1 1P007PGB [0,1,0,1,0,0|2,0,0]=4 2992 B9R1.8 CCCN1CCOCC1 1P00CCYI [0,1,0,1,0,0|2,0,0]=4 2993 B9R1.8 CCC[C@H]1CCCCN1 1P00DH6U [0,1,0,1,0,0|2,0,0]=4 2994 B9R1.8 CCNC1CCCCC1 1P003TGU [0,1,0,1,0,0|2,0,0]=4 2995 B9R1.8 CCNC1CCCCC1 1P00EJC9 [0,1,0,1,0,0|2,0,0]=4 2996 B9R1.8 CCNC1CCCOC1 1P01C5YU [0,1,0,1,0,0|1,0,0]=3 2997 B9R1.8 CCOC1CCCNC1 1P000HT3 [0,1,0,1,0,0|2,0,0]=4 2998 B9R1.8 CCOC1CCCNC1 1P003JUO [0,1,0,1,0,0|2,0,0]=4 2999 B9R1.8 CCOC1CNCCO1 1P00IH0X [0,1,0,1,0,0|1,0,0]=3 3000 B9R1.8 CCO[C@@H]1CCCNC1 1P01RJ6F [0,1,0,1,0,0|2,0,0]=4 3001 B9R1.8 CCO[C@H]1CCCNC1 1P00K7U2 [0,1,0,1,0,0|2,0,0]=4 3002 B9R1.8 CNCC1=CCCOC1 1P01B5PU [0,1,0,1,0,0|1,0,1]=4 3003 B9R1.8 CNCC1CCCCC1 1P001SUF [0,1,0,1,0,0|2,0,0]=4 3004 B9R1.8 CNCC1CCCCC1 1P00C2NL [0,1,0,1,0,0|2,0,0]=4 3005 B9R1.8 CNCC1CCCCO1 1P0062RI [0,1,0,1,0,0|1,0,0]=3 3006 B9R1.8 CNCC1CCCOC1 1P00FU62 [0,1,0,1,0,0|1,0,0]=3 3007 B9R1.8 CNCC1CCCSC1 1P027ZF3 [0,1,0,1,0,0|1,1,0]=4 3008 B9R1.8 CNCC1CNCCO1 1P000K6D [0,1,0,1,0,0|1,0,0]=3 3009 B9R1.8 CNCC1COCCO1 1P002TMX [0,1,0,1,0,0|0,0,0]=2 3010 B9R1.8 CNCC1COCCO1 1P00H3GN [0,1,0,1,0,0|0,0,0]=2 3011 B9R1.8 CNC[C@@H]1CCCCN1 1P01BRXL [0,1,0,1,0,0|2,0,0]=4 3012 B9R1.8 CNC[C@@H]1CCCNC1 1P01BS6J [0,1,0,1,0,0|2,0,0]=4 3013 B9R1.8 CNC[C@@H]1COCCO1 1P00ILMO [0,1,0,1,0,0|0,0,0]=2 3014 B9R1.8 CNC[C@@H]1COCCO1 1P00IMSV [0,1,0,1,0,0|0,0,0]=2 3015 B9R1.8 CNC[C@H]1CCCCN1 1P01BS2D [0,1,0,1,0,0|2,0,0]=4 3016 B9R1.8 CNC[C@H]1COCCO1 1P00ILKF [0,1,0,1,0,0|0,0,0]=2 3017 B9R1.8 COCC1CCCCN1 1P008S6P [0,1,0,1,0,0|1,0,0]=3 3018 B9R1.8 COCC1CCCCN1 1P00FI93 [0,1,0,1,0,0|1,0,0]=3 3019 B9R1.8 COCC1CCCNC1 1P000D9J [0,1,0,1,0,0|2,0,0]=4 3020 B9R1.8 COCC1CCCNC1 1P00618C [0,1,0,1,0,0|2,0,0]=4 3021 B9R1.8 COCC1CCNCC1 1P003KPM [0,1,0,1,0,0|2,0,0]=4 3022 B9R1.8 COCC1CCNCC1 1P00C9A3 [0,1,0,1,0,0|2,0,0]=4 3023 B9R1.8 COCC1CNCCO1 1P001JB0 [0,1,0,1,0,0|1,0,0]=3 3024 B9R1.8 COCC1CNCCO1 1P001OZS [0,1,0,1,0,0|1,0,0]=3 3025 B9R1.8 COCC1COCCN1 1P00H9GX [0,1,0,1,0,0|1,0,0]=3 3026 B9R1.8 COC[C@@H]1CCCCN1 1P007YTR [0,1,0,1,0,0|1,0,0]=3 3027 B9R1.8 COC[C@@H]1CCCNC1 1P01JLSW [0,1,0,1,0,0|2,0,0]=4 3028 B9R1.8 COC[C@@H]1CNCCO1 1P001Q5P [0,1,0,1,0,0|1,0,0]=3 3029 B9R1.8 COC[C@@H]1CNCCO1 1P00AA3H [0,1,0,1,0,0|1,0,0]=3 3030 B9R1.8 COC[C@@H]1COCCN1 1P005VWK [0,1,0,1,0,0|1,0,0]=3 3031 B9R1.8 COC[C@H]1CCCCN1 1P01ENHO [0,1,0,1,0,0|1,0,0]=3 3032 B9R1.8 COC[C@H]1CCCNC1 1P01JLSN [0,1,0,1,0,0|2,0,0]=4 3033 B9R1.8 COC[C@H]1CNCCO1 1P001Q5O [0,1,0,1,0,0|1,0,0]=3 3034 B9R1.8 COC[C@H]1CNCCO1 1P006ZEW [0,1,0,1,0,0|1,0,0]=3 3035 B9R1.8 COC[C@H]1COCCN1 1P007PGW [0,1,0,1,0,0|1,0,0]=3 3036 B9R1.8 CSCC1CCCNC1 1P00HGDC [0,1,0,1,0,0|2,0,0]=4 3037 B9R1.8 ClCCC1CCCCC1 1P007F3V [0,1,0,1,0,0|2,0,0]=4 3038 B9R1.8 ClCCC1CCNCC1 1P01F94Q [0,1,0,1,0,0|2,0,0]=4 3039 B9R1.8 ClCCC1CCOCC1 1P01ANXK [0,1,0,1,0,0|2,0,0]=4 3040 B9R1.8 ClCCN1CCCCC1 1P003ICY [0,1,0,1,0,0|2,0,0]=4 3041 B9R1.8 ClCCN1CCNCC1 1P00DR3B [0,1,0,1,0,0|2,0,0]=4 3042 B9R1.8 ClCCN1CCOCC1 1P00349B [0,1,0,1,0,0|2,0,0]=4 3043 B9R1.8 ClCCN1CCOCC1 1P007H0G [0,1,0,1,0,0|2,0,0]=4 3044 B9R1.8 ClCCN1CCSCC1 1P019ZF9 [0,1,0,1,0,0|2,0,0]=4 3045 B9R1.8 ClCOC1CCCCC1 1P003PAR [0,1,0,1,0,0|2,0,0]=4 3046 B9R1.8 ClCOC1CCCOC1 1P01BC9L [0,1,0,1,0,0|2,0,0]=4 3047 B9R1.8 FCCC1CCCNC1 1P01B68G [0,1,0,1,0,0|2,0,0]=4 3048 B9R1.8 FCCC1CCNCC1 1P00AT7O [0,1,0,1,0,0|2,0,0]=4 3049 B9R1.8 FCCC1CCNCC1 1P00AT7P [0,1,0,1,0,0|2,0,0]=4 3050 B9R1.8 FCCC1CNCCO1 1P01BXWO [0,1,0,1,0,0|1,0,0]=3 3051 B9R1.8 FCCN1CCNCC1 1P0037JV [0,1,0,1,0,0|2,0,0]=4 3052 B9R1.8 FCCN1CCNCC1 1P008ZI6 [0,1,0,1,0,0|2,0,0]=4 3053 B9R1.8 FCCN1CCNCC1 1P00AR8G [0,1,0,1,0,0|2,0,0]=4 3054 B9R1.8 ICCC1=CCCCC1 1P02847I [0,1,0,1,0,0|2,0,0]=4 3055 B9R1.8 ICCC1CCCCC1 1P00G4Q8 [0,1,0,1,0,0|2,0,0]=4 3056 B9R1.8 ICCC1CCOCC1 1P00E0GZ [0,1,0,1,0,0|2,0,0]=4 3057 B9R1.8 ICCN1CCCCC1 1P028PKT [0,1,0,1,0,0|2,0,0]=4 3058 B9R1.8 ICCN1CCOCC1 1P01BXXU [0,1,0,1,0,0|2,0,0]=4 3059 B9R1.8 N#CCC1CCCCC1 1P00DETJ [0,1,0,1,0,0|2,0,0]=4 3060 B9R1.8 N#CCC1CCCCN1 1P00J388 [0,1,0,1,0,0|2,0,0]=4 3061 B9R1.8 N#CCC1CCCCO1 1P005YG8 [0,1,0,1,0,0|1,0,0]=3 3062 B9R1.8 N#CCC1CCCOC1 1P00GW92 [0,1,0,1,0,0|1,0,1]=4 3063 B9R1.8 NCCC1=CCCCC1 1P0032P8 [0,1,0,1,0,0|2,0,0]=4 3064 B9R1.8 NCCC1CCCCC1 1P003PLC [0,1,0,1,0,0|2,0,0]=4 3065 B9R1.8 NCCC1CCCCC1 1P00D941 [0,1,0,1,0,0|2,0,0]=4 3066 B9R1.8 NCCC1CCCCO1 1P0002TK [0,1,0,1,0,0|1,0,0]=3 3067 B9R1.8 NCCC1CCCCO1 1P00BYX9 [0,1,0,1,0,0|1,0,0]=3 3068 B9R1.8 NCCC1CCCOC1 1P006SW3 [0,1,0,1,0,0|1,0,0]=3 3069 B9R1.8 NCCC1CCCOC1 1P024NNR [0,1,0,1,0,0|1,0,0]=3 3070 B9R1.8 NCCC1CCNCC1 1P006MVE [0,1,0,1,0,0|2,0,0]=4 3071 B9R1.8 NCCC1CCNCC1 1P00GAAA [0,1,0,1,0,0|2,0,0]=4 3072 B9R1.8 NCCC1CCOCC1 1P003KFO [0,1,0,1,0,0|2,0,0]=4 3073 B9R1.8 NCCC1CCOCC1 1P0077K0 [0,1,0,1,0,0|2,0,0]=4 3074 B9R1.8 NCCC1CCSCC1 1P000SUN [0,1,0,1,0,0|2,0,0]=4 3075 B9R1.8 NCCC1COCCO1 1P01DXCG [0,1,0,1,0,0|0,0,0]=2 3076 B9R1.8 NCCC1OCCCO1 1P028F4T [0,1,0,1,0,0|1,0,0]=3 3077 B9R1.8 NCCC1OCCNC1 1P01BCCR [0,1,0,1,0,0|1,0,0]=3 3078 B9R1.8 NCCN1CCCCC1 1P0003NL [0,1,0,1,0,0|2,0,0]=4 3079 B9R1.8 NCCN1CCCCC1 1P002UL2 [0,1,0,1,0,0|2,0,0]=4 3080 B9R1.8 NCCN1CCCCO1 1P019FE9 [0,1,0,1,0,0|1,0,0]=3 3081 B9R1.8 NCCN1CCNCC1 1P001CEB [0,1,0,1,0,0|2,0,0]=4 3082 B9R1.8 NCCN1CCOCC1 1P0029LD [0,1,0,1,0,0|2,0,0]=4 3083 B9R1.8 NCCN1CCSCC1 1P00DASP [0,1,0,1,0,0|2,0,0]=4 3084 B9R1.8 NNCC1CCCCC1 1P0039M6 [0,1,0,1,0,0|2,0,0]=4 3085 B9R1.8 NNCC1CCCCC1 1P00HELJ [0,1,0,1,0,0|2,0,0]=4 3086 B9R1.8 NNCC1CCCCO1 1P01AA31 [0,1,0,1,0,0|1,0,0]=3 3087 B9R1.8 NNCC1CCCOC1 1P028CE5 [0,1,0,1,0,0|2,0,0]=4 3088 B9R1.8 NNCC1COCCO1 1P00J2UI [0,1,0,1,0,0|1,0,0]=3 3089 B9R1.8 NOCC1CCCCC1 1P007E83 [0,1,0,1,0,0|1,0,0]=3 3090 B9R1.8 NOCC1CCOCC1 1P028ZE3 [0,1,0,1,0,0|2,0,0]=4 3091 B9R1.8 O=C=NC1CCCCO1 1P000PNS [0,1,0,1,0,0|0,0,2]=4 3092 B9R1.8 O=CCC1CCCCC1 1P003AIZ [0,1,0,1,0,0|1,0,1]=4 3093 B9R1.8 O=CCC1CCCOC1 1P00J8JP [0,1,0,1,0,0|1,0,1]=4 3094 B9R1.8 OCC=C1CCCCC1 1P0064VQ [0,1,0,1,0,0|1,0,1]=4 3095 B9R1.8 OCC=C1CCNCC1 1P01FI7U [0,1,0,1,0,0|1,0,1]=4 3096 B9R1.8 OCCC1=CCCCC1 1P00CMOG [0,1,0,1,0,0|1,0,0]=3 3097 B9R1.8 OCCC1CCCC=C1 1P007VW0 [0,1,0,1,0,0|1,0,1]=4 3098 B9R1.8 OCCC1CCCCC1 1P003HLE [0,1,0,1,0,0|1,0,0]=3 3099 B9R1.8 OCCC1CCCCN1 1P001LDB [0,1,0,1,0,0|1,0,0]=3 3100 B9R1.8 OCCC1CCCCO1 1P00C8W8 [0,1,0,1,0,0|0,0,0]=2 3101 B9R1.8 OCCC1CCCNC1 1P001Y2V [0,1,0,1,0,0|1,0,0]=3 3102 B9R1.8 OCCC1CCCOC1 1P00962W [0,1,0,1,0,0|1,0,0]=3 3103 B9R1.8 OCCC1CCCSC1 1P01K92C [0,1,0,1,0,0|1,0,0]=3 3104 B9R1.8 OCCC1CCNCC1 1P003A23 [0,1,0,1,0,0|1,0,0]=3 3105 B9R1.8 OCCC1CCNCC1 1P00GZ55 [0,1,0,1,0,0|1,0,0]=3 3106 B9R1.8 OCCC1CCOCC1 1P00D9CJ [0,1,0,1,0,0|1,0,0]=3 3107 B9R1.8 OCCC1CNCCN1 1P01BFQG [0,1,0,1,0,0|2,0,0]=4 3108 B9R1.8 OCCC1CNCCO1 1P0011X5 [0,1,0,1,0,0|1,0,0]=3 3109 B9R1.8 OCCC1CNCCO1 1P00G8NN [0,1,0,1,0,0|1,0,0]=3 3110 B9R1.8 OCCC1COCCN1 1P00HZ9I [0,1,0,1,0,0|1,0,0]=3 3111 B9R1.8 OCCC1COCCO1 1P01EI7Q [0,1,0,1,0,0|0,0,0]=2 3112 B9R1.8 OCCC1CSCCN1 1P019ZKG [0,1,0,1,0,0|1,1,0]=4 3113 B9R1.8 OCCC1NCCNC1 1P006ULW [0,1,0,1,0,0|2,0,0]=4 3114 B9R1.8 OCCC1SCCCS1 1P001M75 [0,1,0,1,0,0|1,1,0]=4 3115 B9R1.8 OCCN1CCCCC1 1P0030HK [0,1,0,1,0,0|1,0,0]=3 3116 B9R1.8 OCCN1CCCCC1 1P02027R [0,1,0,1,0,0|1,0,0]=3 3117 B9R1.8 OCCN1CCNCC1 1P0035QX [0,1,0,1,0,0|1,0,0]=3 3118 B9R1.8 OCCN1CCSCC1 1P0037LA [0,1,0,1,0,0|1,0,0]=3 3119 B9R1.8 OCC[C@@H]1CCCCN1 1P0039GQ [0,1,0,1,0,0|1,0,0]=3 3120 B9R1.8 OCC[C@@H]1CCCCN1 1P00G3EI [0,1,0,1,0,0|1,0,0]=3 3121 B9R1.8 OCC[C@@H]1COCCN1 1P006E3G [0,1,0,1,0,0|1,0,0]=3 3122 B9R1.8 OCC[C@@H]1NCCNC1 1P000N1A [0,1,0,1,0,0|2,0,0]=4 3123 B9R1.8 OCC[C@H]1CCCCN1 1P0032VE [0,1,0,1,0,0|1,0,0]=3 3124 B9R1.8 OCC[C@H]1NCCNC1 1P001PA9 [0,1,0,1,0,0|2,0,0]=4 3125 B9R1.8 SCCC1CCCCC1 1P028H2U [0,1,0,1,0,0|1,1,0]=4 3126 B9R1.8 SCCC1CCCOC1 1P0288ED [0,1,0,1,0,0|1,0,0]=3 3127 B9R1.8 SCCC1CCOCC1 1P020ZM3 [0,1,0,1,0,0|1,1,0]=4 3128 B9R1.8 SCCC1CNCCO1 1P028VVM [0,1,0,1,0,0|1,0,0]=3 3129 B9R1.8 SCCN1CCNCC1 1P028EXH [0,1,0,1,0,0|1,1,0]=4 3130 B9R1.8 SCCN1CCOCC1 1P00E07G [0,1,0,1,0,0|1,1,0]=4 3131 B9R1.9 CCCC[C@@H]1C[C@@H](C1)O 1P028G5L [0,1,0,1,0,0|1,0,0]=3 3132 B9R1.9 CCCC[C@@H]1C[C@H](C1)O 1P028FO3 [0,1,0,1,0,0|1,0,0]=3 3133 B9R1.9 CCCOC1CC(=O)C1 1P0289SK [0,1,0,1,0,0|1,0,1]=4 3134 B9R1.9 CCCOC1CC(C1)Br 1P028CTN [0,1,0,1,0,0|1,0,0]=3 3135 B9R1.9 CCCOC1CC(C1)N 1P028SBB [0,1,0,1,0,0|1,0,0]=3 3136 B9R1.9 CCCO[C@@H]1C[C@@H](C1)O 1P0287GP [0,1,0,1,0,0|1,0,0]=3 3137 B9R1.9 CSCCC1CC(C1)O 1P02875U [0,1,0,1,0,0|2,0,0]=4 3138 B9R1.9 NCCCC1CC(C1)C 1P02821Q [0,1,0,1,0,0|2,0,0]=4 3139 B9R1.9 OCCCN1CC(C1)N 1P0290M1 [0,1,0,1,0,0|2,0,0]=4 3140 B9R1.12 BrCCCC1CCCC1 1P01BL95 [0,1,0,1,0,0|2,0,0]=4 3141 B9R1.12 BrCCCC1CCCO1 1P01BL47 [0,1,0,1,0,0|1,0,0]=3 3142 B9R1.12 BrCCCC1COCC1 1P01C48U [0,1,0,1,0,0|2,0,0]=4 3143 B9R1.12 BrCCCC1OCCO1 1P003FA6 [0,1,0,1,0,0|0,0,0]=2 3144 B9R1.12 BrCCCN1CCCC1 1P00GS5R [0,1,0,1,0,0|2,0,0]=4 3145 B9R1.12 BrCCOC1CCCC1 1P018SQY [0,1,0,1,0,0|1,0,0]=3 3146 B9R1.12 BrCCOC1COCC1 1P01BKNE [0,1,0,1,0,0|1,0,0]=3 3147 B9R1.12 BrCCSC1CCCC1 1P01BUB9 [0,1,0,1,0,0|1,1,0]=4 3148 B9R1.12 C#CCCC1CCCC1 1P028WPS [0,1,0,1,0,0|2,0,0]=4 3149 B9R1.12 C#CCCC1CCCO1 1P028U27 [0,1,0,1,0,0|1,0,1]=4 3150 B9R1.12 C#CCCC1OCCO1 1P005FD5 [0,1,0,1,0,0|0,0,1]=3 3151 B9R1.12 C#CCCN1CCCC1 1P001F8X [0,1,0,1,0,0|2,0,0]=4 3152 B9R1.12 C#CCOC1CCCC1 1P018P4M [0,1,0,1,0,0|1,0,1]=4 3153 B9R1.12 C#CCO[C@H]1CNCC1 1P028W7L [0,1,0,1,0,0|1,0,1]=4 3154 B9R1.12 C=CCOC1CNCC1 1P0098DH [0,1,0,1,0,0|1,0,1]=4 3155 B9R1.12 C=CCO[C@@H]1CNCC1 1P01EMIG [0,1,0,1,0,0|1,0,1]=4 3156 B9R1.12 C=CCO[C@H]1CNCC1 1P01EMNH [0,1,0,1,0,0|1,0,1]=4 3157 B9R1.12 CCCCC1CCCN1 1P00J2HB [0,1,0,1,0,0|2,0,0]=4 3158 B9R1.12 CCCCC1CNCC1 1P024NS2 [0,1,0,1,0,0|2,0,0]=4 3159 B9R1.12 CCCCN1CCCC1 1P003ENH [0,1,0,1,0,0|2,0,0]=4 3160 B9R1.12 CCCCP1CCCC1 1P01BJW1 [0,1,0,1,0,0|2,0,0]=4 3161 B9R1.12 CCCNC1CCCC1 1P009AID [0,1,0,1,0,0|2,0,0]=4 3162 B9R1.12 CCCNC1CCCC1 1P00C6JG [0,1,0,1,0,0|2,0,0]=4 3163 B9R1.12 CCCOC1CNCC1 1P00IIW4 [0,1,0,1,0,0|1,0,0]=3 3164 B9R1.12 CCNCC1CCCO1 1P00FDM8 [0,1,0,1,0,0|1,0,0]=3 3165 B9R1.12 CCNCC1CCCO1 1P019XF9 [0,1,0,1,0,0|1,0,0]=3 3166 B9R1.12 CCNCC1COCC1 1P019V1T [0,1,0,1,0,0|2,0,0]=4 3167 B9R1.12 CCOCC1CCCN1 1P004794 [0,1,0,1,0,0|2,0,0]=4 3168 B9R1.12 CCOCC1CCCO1 1P003QXO [0,1,0,1,0,0|1,0,0]=3 3169 B9R1.12 CNCCC1CCCO1 1P01AG1E [0,1,0,1,0,0|1,0,0]=3 3170 B9R1.12 CNCCC1OCCO1 1P006XZQ [0,1,0,1,0,0|0,0,0]=2 3171 B9R1.12 CNCCN1CCCC1 1P00C928 [0,1,0,1,0,0|2,0,0]=4 3172 B9R1.12 COCCC1CCCN1 1P00II1T [0,1,0,1,0,0|2,0,0]=4 3173 B9R1.12 COCCC1CNCC1 1P01ACM2 [0,1,0,1,0,0|2,0,0]=4 3174 B9R1.12 ClCCCC1CCCC1 1P019T49 [0,1,0,1,0,0|2,0,0]=4 3175 B9R1.12 ClCCCC1OCCO1 1P003FAD [0,1,0,1,0,0|0,0,0]=2 3176 B9R1.12 ClCCCN1CCCC1 1P003SRK [0,1,0,1,0,0|2,0,0]=4 3177 B9R1.12 ClCCCN1CCCC1 1P00C7FU [0,1,0,1,0,0|2,0,0]=4 3178 B9R1.12 ClCCCN1CCCC1 1P00ILTD [0,1,0,1,0,0|2,0,0]=4 3179 B9R1.12 ClCCSC1COCC1 1P01DW5B [0,1,0,1,0,0|1,1,0]=4 3180 B9R1.12 ClCOCC1CCCO1 1P01DYVW [0,1,0,1,0,0|2,0,0]=4 3181 B9R1.12 FCCNC1CCCC1 1P028YHR [0,1,0,1,0,0|2,0,0]=4 3182 B9R1.12 FCCNC1COCC1 1P028X6D [0,1,0,1,0,0|2,0,0]=4 3183 B9R1.12 FCCOC1CNCC1 1P027TOT [0,1,0,1,0,0|1,0,0]=3 3184 B9R1.12 ICCCC1CCCC1 1P007VU0 [0,1,0,1,0,0|2,0,0]=4 3185 B9R1.12 ICCCC1CCCO1 1P027UA3 [0,1,0,1,0,0|1,0,0]=3 3186 B9R1.12 ICCCN1CCCC1 1P028FHH [0,1,0,1,0,0|2,0,0]=4 3187 B9R1.12 N#CCCN1CCCC1 1P002SFD [0,1,0,1,0,0|2,0,0]=4 3188 B9R1.12 N#CCOC1CCCC1 1P019TJ7 [0,1,0,1,0,0|1,0,1]=4 3189 B9R1.12 NCCCC1CCCC1 1P00EEJI [0,1,0,1,0,0|2,0,0]=4 3190 B9R1.12 NCCCC1CCCC1 1P00ILAW [0,1,0,1,0,0|2,0,0]=4 3191 B9R1.12 NCCCC1COCC1 1P005QV6 [0,1,0,1,0,0|2,0,0]=4 3192 B9R1.12 NCCCC1COCC1 1P009135 [0,1,0,1,0,0|2,0,0]=4 3193 B9R1.12 NCCCN1CCCC1 1P002MV5 [0,1,0,1,0,0|2,0,0]=4 3194 B9R1.12 NCCC[C@@H]1CCCO1 1P028K5H [0,1,0,1,0,0|1,0,0]=3 3195 B9R1.12 NCCC[C@H]1CCCO1 1P027YKE [0,1,0,1,0,0|1,0,0]=3 3196 B9R1.12 NCCNC1CCCC1 1P028UVM [0,1,0,1,0,0|2,0,0]=4 3197 B9R1.12 NCCOC1CCCC1 1P003FHL [0,1,0,1,0,0|1,0,0]=3 3198 B9R1.12 NCCOC1CCCC1 1P009A0U [0,1,0,1,0,0|1,0,0]=3 3199 B9R1.12 NCCOC1COCC1 1P01C7I9 [0,1,0,1,0,0|1,0,0]=3 3200 B9R1.12 NCCSC1CCCC1 1P00I4BG [0,1,0,1,0,0|1,1,0]=4 3201 B9R1.12 NCCSC1CCCC1 1P01ABA5 [0,1,0,1,0,0|1,1,0]=4 3202 B9R1.12 O=CCCC1CCCC1 1P00EEF2 [0,1,0,1,0,0|1,0,1]=4 3203 B9R1.12 O=CCCC1CCCO1 1P01A7J3 [0,1,0,1,0,0|1,0,1]=4 3204 B9R1.12 O=CCCC1OCCO1 1P008L0G [0,1,0,1,0,0|0,0,1]=3 3205 B9R1.12 OCC#CC1CCCC1 1P02867C [0,1,0,1,0,0|1,0,1]=4 3206 B9R1.12 OCCCC1CCCC1 1P003JTF [0,1,0,1,0,0|1,0,0]=3 3207 B9R1.12 OCCCC1CCCN1 1P008OSO [0,1,0,1,0,0|1,0,0]=3 3208 B9R1.12 OCCCC1CCCO1 1P00G5LD [0,1,0,1,0,0|1,0,0]=3 3209 B9R1.12 OCCCC1CNCC1 1P01C2L0 [0,1,0,1,0,0|1,0,0]=3 3210 B9R1.12 OCCCC1OCCO1 1P003AZ1 [0,1,0,1,0,0|0,0,0]=2 3211 B9R1.12 OCCCN1CCCC1 1P002BAZ [0,1,0,1,0,0|1,0,0]=3 3212 B9R1.12 OCCC[C@@H]1CCCN1 1P01FIC0 [0,1,0,1,0,0|1,0,0]=3 3213 B9R1.12 OCCC[C@H]1CCCN1 1P01FIB9 [0,1,0,1,0,0|1,0,0]=3 3214 B9R1.12 OCCNC1CCCC1 1P019WIC [0,1,0,1,0,0|1,0,0]=3 3215 B9R1.12 OCCOC1CCCC1 1P0023OM [0,1,0,1,0,0|0,0,0]=2 3216 B9R1.12 OCCOC1CNCC1 1P028JJB [0,1,0,1,0,0|0,0,0]=2 3217 B9R1.12 OCCOC1COCC1 1P01BK1R [0,1,0,1,0,0|0,0,0]=2 3218 B9R1.12 SCCCC1CCCC1 1P028M2V [0,1,0,1,0,0|1,1,0]=4 3219 B9R1.12 [C-]#[N+]CCN1CCCC1 1P00BEDP [0,1,0,1,0,0|2,0,0]=4 3220 B9R1.15 BrCC1CCCCC1C 1P01ALI8 [0,1,0,1,0,0|2,0,0]=4 3221 B9R1.15 BrCC1CCCCC1F 1P00O5PB [0,1,0,1,0,0|2,0,0]=4 3222 B9R1.15 BrCC1CCCCC1O 1P01AMNH [0,1,0,1,0,0|1,0,0]=3 3223 B9R1.15 BrCC1CCCCN1C 1P00H9WG [0,1,0,1,0,0|2,0,0]=4 3224 B9R1.15 C#CC1CCCCC1C 1P01B7MF [0,1,0,1,0,0|2,0,0]=4 3225 B9R1.15 C#CC1CCCCC1O 1P01BFKT [0,1,0,1,0,0|1,0,1]=4 3226 B9R1.15 C#C[C@@H]1CCCC[C@H]1O 1P01TT17 [0,1,0,1,0,0|1,0,1]=4 3227 B9R1.15 C#C[C@@H]1OCCC[C@H]1Br 1P0282M3 [0,1,0,1,0,0|1,0,1]=4 3228 B9R1.15 C=CC1CCCCC1O 1P028VAT [0,1,0,1,0,0|1,0,1]=4 3229 B9R1.15 CCC1CCCCC1=O 1P003HOA [0,1,0,1,0,0|1,0,1]=4 3230 B9R1.15 CCC1CCCCC1Br 1P01B7NI [0,1,0,1,0,0|2,0,0]=4 3231 B9R1.15 CCC1CCCCC1N 1P019NC1 [0,1,0,1,0,0|2,0,0]=4 3232 B9R1.15 CCC1CCCCC1O 1P003HO9 [0,1,0,1,0,0|1,0,0]=3 3233 B9R1.15 CCC1CCCOC1=O 1P00CY9J [0,1,0,1,0,0|1,0,1]=4 3234 B9R1.15 CCC1CCOCC1=O 1P01DW0C [0,1,0,1,0,0|0,0,2]=4 3235 B9R1.15 CCC1COCCC1=O 1P00BHVG [0,1,0,1,0,0|0,0,1]=3 3236 B9R1.15 CCC1OCCCC1N 1P027WR0 [0,1,0,1,0,0|1,0,0]=3 3237 B9R1.15 CCN1CCNCC1C 1P00C622 [0,1,0,1,0,0|2,0,0]=4 3238 B9R1.15 CCN1CCNC[C@@H]1C 1P024HTN [0,1,0,1,0,0|2,0,0]=4 3239 B9R1.15 CC[C@@H]1CNCCN1C 1P00J3CT [0,1,0,1,0,0|2,0,0]=4 3240 B9R1.15 CC[C@H]1CNCCN1C 1P00J3BX [0,1,0,1,0,0|2,0,0]=4 3241 B9R1.15 CN1CCNCC1CC 1P00DKMW [0,1,0,1,0,0|2,0,0]=4 3242 B9R1.15 CN1CCOCC1C#N 1P00G551 [0,1,0,1,0,0|2,0,0]=4 3243 B9R1.15 CN1CCOCC1CBr 1P028CNB [0,1,0,1,0,0|2,0,0]=4 3244 B9R1.15 CN1CCOCC1CN 1P003CD1 [0,1,0,1,0,0|2,0,0]=4 3245 B9R1.15 CN1CCOCC1CO 1P008ZQU [0,1,0,1,0,0|1,0,0]=3 3246 B9R1.15 CN1CCOC[C@@H]1CO 1P019GS8 [0,1,0,1,0,0|1,0,0]=3 3247 B9R1.15 CN1CCOC[C@H]1CO 1P019GS9 [0,1,0,1,0,0|1,0,0]=3 3248 B9R1.15 CN1CCOC[C@H]1CO 1P01E6KO [0,1,0,1,0,0|1,0,0]=3 3249 B9R1.15 CNC1CCCCC1C 1P00H9WY [0,1,0,1,0,0|2,0,0]=4 3250 B9R1.15 CNC1CCOCC1C 1P028HN6 [0,1,0,1,0,0|1,0,0]=3 3251 B9R1.15 CN[C@@H]1CCCC[C@@H]1O 1P00BEIR [0,1,0,1,0,0|1,0,0]=3 3252 B9R1.15 CN[C@@H]1CCCC[C@H]1F 1P028BCN [0,1,0,1,0,0|2,0,0]=4 3253 B9R1.15 CN[C@@H]1CCCC[C@H]1O 1P0029V9 [0,1,0,1,0,0|1,0,0]=3 3254 B9R1.15 CN[C@@H]1CCCC[C@H]1O 1P002RWS [0,1,0,1,0,0|1,0,0]=3 3255 B9R1.15 COC1CCCCC1N 1P00E01C [0,1,0,1,0,0|2,0,0]=4 3256 B9R1.15 COC1CCCCC1O 1P00BI4T [0,1,0,1,0,0|1,0,0]=3 3257 B9R1.15 COC1CCNCC1C 1P01BA5C [0,1,0,1,0,0|2,0,0]=4 3258 B9R1.15 COC1CCNCC1N 1P01FJAB [0,1,0,1,0,0|2,0,0]=4 3259 B9R1.15 COC1COCCC1=O 1P00EDID [0,1,0,1,0,0|1,0,1]=4 3260 B9R1.15 COC1COCCC1N 1P01AII0 [0,1,0,1,0,0|1,0,0]=3 3261 B9R1.15 COC1COCCC1O 1P01AD7T [0,1,0,1,0,0|1,0,0]=3 3262 B9R1.15 CO[C@@H]1CCCC[C@@H]1N 1P01KHBV [0,1,0,1,0,0|2,0,0]=4 3263 B9R1.15 CO[C@@H]1CCCC[C@@H]1O 1P01BJJM [0,1,0,1,0,0|1,0,0]=3 3264 B9R1.15 CO[C@@H]1CCCC[C@H]1I 1P01I1YH [0,1,0,1,0,0|2,0,0]=4 3265 B9R1.15 CO[C@@H]1CCCC[C@H]1N 1P01JUW1 [0,1,0,1,0,0|2,0,0]=4 3266 B9R1.15 CO[C@@H]1CCCC[C@H]1O 1P005MYX [0,1,0,1,0,0|1,0,0]=3 3267 B9R1.15 CO[C@@H]1CCCN[C@@H]1C 1P028J8Y [0,1,0,1,0,0|2,0,0]=4 3268 B9R1.15 CO[C@@H]1CCNC[C@@H]1F 1P01WKF7 [0,1,0,1,0,0|2,0,0]=4 3269 B9R1.15 CO[C@@H]1CCOC[C@H]1N 1P00J3QD [0,1,0,1,0,0|1,0,0]=3 3270 B9R1.15 CO[C@@H]1COCC[C@H]1N 1P000KMD [0,1,0,1,0,0|1,0,0]=3 3271 B9R1.15 CO[C@@H]1COCC[C@H]1N 1P01JVFH [0,1,0,1,0,0|1,0,0]=3 3272 B9R1.15 CO[C@@H]1OCCC[C@@H]1N 1P028VHL [0,1,0,1,0,0|2,0,0]=4 3273 B9R1.15 CO[C@@H]1OCCC[C@H]1Br 1P028GQN [0,1,0,1,0,0|2,0,0]=4 3274 B9R1.15 CO[C@H]1CCCC[C@@H]1N 1P01EGVS [0,1,0,1,0,0|2,0,0]=4 3275 B9R1.15 CO[C@H]1CCCC[C@@H]1N 1P01JUWE [0,1,0,1,0,0|2,0,0]=4 3276 B9R1.15 CO[C@H]1CCCC[C@H]1N 1P01JVLU [0,1,0,1,0,0|2,0,0]=4 3277 B9R1.15 CO[C@H]1CCNC[C@@H]1F 1P01XA4L [0,1,0,1,0,0|2,0,0]=4 3278 B9R1.15 CO[C@H]1CCNC[C@@H]1O 1P002AOW [0,1,0,1,0,0|1,0,0]=3 3279 B9R1.15 CO[C@H]1CCNC[C@H]1F 1P01JUI3 [0,1,0,1,0,0|2,0,0]=4 3280 B9R1.15 CO[C@H]1CCOC[C@H]1N 1P00J3QW [0,1,0,1,0,0|1,0,0]=3 3281 B9R1.15 CO[C@H]1COCC[C@@H]1N 1P00HWSM [0,1,0,1,0,0|1,0,0]=3 3282 B9R1.15 CO[C@H]1COCC[C@H]1N 1P00IJM3 [0,1,0,1,0,0|1,0,0]=3 3283 B9R1.15 CS[C@@H]1CCCC[C@H]1N 1P01C5PW [0,1,0,1,0,0|2,0,0]=4 3284 B9R1.15 CS[C@@H]1CCCC[C@H]1O 1P01EN2B [0,1,0,1,0,0|1,0,0]=3 3285 B9R1.15 CS[C@H]1CCCC[C@@H]1N 1P01ALVX [0,1,0,1,0,0|2,0,0]=4 3286 B9R1.15 ClCC1CCCCN1C 1P00BDO8 [0,1,0,1,0,0|2,0,0]=4 3287 B9R1.15 N#CC1CCCCC1C 1P01AAMT [0,1,0,1,0,0|2,0,0]=4 3288 B9R1.15 N#CC1CCOCC1C 1P01A6ME [0,1,0,1,0,0|1,0,1]=4 3289 B9R1.15 N#CC1OCCCC1Br 1P0096G3 [0,1,0,1,0,0|1,0,1]=4 3290 B9R1.15 NCC1CCCCC1C 1P00I8B6 [0,1,0,1,0,0|2,0,0]=4 3291 B9R1.15 NCC1CCCCC1C 1P019XYX [0,1,0,1,0,0|2,0,0]=4 3292 B9R1.15 NCC1CCCCC1F 1P01BAQJ [0,1,0,1,0,0|2,0,0]=4 3293 B9R1.15 NCC1CCCCC1N 1P00CIER [0,1,0,1,0,0|2,0,0]=4 3294 B9R1.15 NCC1CCCCC1O 1P01AKX1 [0,1,0,1,0,0|1,0,0]=3 3295 B9R1.15 NCC1CCCCN1C 1P00I9X9 [0,1,0,1,0,0|2,0,0]=4 3296 B9R1.15 NCC1CCCCN1C 1P00J3RF [0,1,0,1,0,0|2,0,0]=4 3297 B9R1.15 NCC1CCOCC1C 1P01BAX4 [0,1,0,1,0,0|1,0,0]=3 3298 B9R1.15 NCC1NCCCC1C 1P01B1N1 [0,1,0,1,0,0|2,0,0]=4 3299 B9R1.15 NC[C@@H]1CCCCN1C 1P00E7VG [0,1,0,1,0,0|2,0,0]=4 3300 B9R1.15 NC[C@@H]1CCCC[C@@H]1N 1P009WIT [0,1,0,1,0,0|2,0,0]=4 3301 B9R1.15 NC[C@@H]1CCCC[C@@H]1O 1P002QEN [0,1,0,1,0,0|1,0,0]=3 3302 B9R1.15 NC[C@@H]1CCCC[C@H]1N 1P00I577 [0,1,0,1,0,0|2,0,0]=4 3303 B9R1.15 NC[C@@H]1CCNC[C@H]1O 1P0004PQ [0,1,0,1,0,0|1,0,0]=3 3304 B9R1.15 NC[C@H]1CCCCN1C 1P0206SP [0,1,0,1,0,0|2,0,0]=4 3305 B9R1.15 NC[C@H]1CCCC[C@@H]1O 1P01C1SL [0,1,0,1,0,0|1,0,0]=3 3306 B9R1.15 NC[C@H]1OCCO[C@H]1C 1P0280PW [0,1,0,1,0,0|1,0,0]=3 3307 B9R1.15 NNC1CCCCC1C 1P019Y8K [0,1,0,1,0,0|2,0,0]=4 3308 B9R1.15 NN[C@@H]1CCCC[C@H]1O 1P00J3UV [0,1,0,1,0,0|2,0,0]=4 3309 B9R1.15 OCC1=C(Br)CCCC1 1P000EN6 [0,1,0,1,0,0|1,0,1]=4 3310 B9R1.15 OCC1=C(C)CCCC1 1P002YY5 [0,1,0,1,0,0|1,0,1]=4 3311 B9R1.15 OCC1CC=CCC1C 1P003NR2 [0,1,0,1,0,0|1,0,1]=4 3312 B9R1.15 OCC1CCCCC1=O 1P00D9D9 [0,1,0,1,0,0|1,0,0]=3 3313 B9R1.15 OCC1CCCCC1C 1P002LAB [0,1,0,1,0,0|1,0,0]=3 3314 B9R1.15 OCC1CCCCC1F 1P0209HO [0,1,0,1,0,0|1,0,0]=3 3315 B9R1.15 OCC1CCCCC1N 1P01AKNO [0,1,0,1,0,0|1,0,0]=3 3316 B9R1.15 OCC1CCCCC1O 1P00C1PL [0,1,0,1,0,0|1,0,0]=3 3317 B9R1.15 OCC1CCCCN1C 1P002K5X [0,1,0,1,0,0|1,0,0]=3 3318 B9R1.15 OCC1CCCNC1=O 1P002RFF [0,1,0,1,0,0|2,0,0]=4 3319 B9R1.15 OCC1CCCNC1C 1P00HSYD [0,1,0,1,0,0|1,0,0]=3 3320 B9R1.15 OCC1CCNCC1C 1P020L4O [0,1,0,1,0,0|1,0,0]=3 3321 B9R1.15 OCC1CCNCC1C 1P0282ZX [0,1,0,1,0,0|1,0,0]=3 3322 B9R1.15 OCC1CCNCC1O 1P00I4RF [0,1,0,1,0,0|1,0,0]=3 3323 B9R1.15 OCC1CNCCC1C 1P01B7X3 [0,1,0,1,0,0|1,0,0]=3 3324 B9R1.15 OCC1CNCCN1C 1P00J2Q1 [0,1,0,1,0,0|2,0,0]=4 3325 B9R1.15 OCC1COCCC1O 1P01A726 [0,1,0,1,0,0|1,0,0]=3 3326 B9R1.15 OCC1NCCCC1C 1P00HSYI [0,1,0,1,0,0|1,0,0]=3 3327 B9R1.15 OCC1OCCNC1=O 1P01C2HV [0,1,0,1,0,0|1,0,1]=4 3328 B9R1.15 OC[C@@H]1CCCCN1C 1P0072JL [0,1,0,1,0,0|1,0,0]=3 3329 B9R1.15 OC[C@@H]1CCCC[C@@H]1N 1P00BJ5U [0,1,0,1,0,0|1,0,0]=3 3330 B9R1.15 OC[C@@H]1CCCC[C@@H]1N 1P021VJJ [0,1,0,1,0,0|1,0,0]=3 3331 B9R1.15 OC[C@@H]1CCCC[C@H]1N 1P00BEIS [0,1,0,1,0,0|1,0,0]=3 3332 B9R1.15 OC[C@@H]1CCNC[C@@H]1F 1P00HYG1 [0,1,0,1,0,0|2,0,0]=4 3333 B9R1.15 OC[C@@H]1CCNC[C@@H]1O 1P00BOQ7 [0,1,0,1,0,0|1,0,0]=3 3334 B9R1.15 OC[C@@H]1CNCC[C@@H]1O 1P0293V3 [0,1,0,1,0,0|2,0,0]=4 3335 B9R1.15 OC[C@@H]1NCCO[C@H]1C 1P019GSE [0,1,0,1,0,0|1,0,0]=3 3336 B9R1.15 OC[C@H]1CCCCN1C 1P005QFY [0,1,0,1,0,0|1,0,0]=3 3337 B9R1.15 OC[C@H]1CCCC[C@@H]1N 1P028BQN [0,1,0,1,0,0|1,0,0]=3 3338 B9R1.15 OC[C@H]1CCCC[C@H]1N 1P00BP7S [0,1,0,1,0,0|1,0,0]=3 3339 B9R1.15 OC[C@H]1CCCN[C@H]1C 1P027WFI [0,1,0,1,0,0|1,0,0]=3 3340 B9R1.15 OC[C@H]1CCNC[C@@H]1O 1P00J2SE [0,1,0,1,0,0|1,0,0]=3 3341 B9R1.15 OC[C@H]1CCNC[C@H]1F 1P00IG87 [0,1,0,1,0,0|2,0,0]=4 3342 B9R1.15 OC[C@H]1NCCO[C@@H]1C 1P00FH70 [0,1,0,1,0,0|1,0,0]=3 3343 B9R1.15 O\N=C/1\CCCCC1C 1P009RGJ [0,1,0,1,0,0|1,0,1]=4 3344 B9R1.15 [C-]#[N+]C1CCCCC1C 1P028OPP [0,1,0,1,0,0|2,0,0]=4 3345 B9R1.22 CCC1CN(CC1N)C 1P019T5P [0,1,0,1,0,0|2,0,0]=4 3346 B9R1.22 CCC1CN(CC1N)C 1P01A5KY [0,1,0,1,0,0|2,0,0]=4 3347 B9R1.22 CN1C[C@@H](C[C@H]1CO)F 1P01WTLI [0,1,0,1,0,0|2,0,0]=4 3348 B9R1.22 CN1C[C@@H](C[C@H]1CO)N 1P027OUS [0,1,0,1,0,0|2,0,0]=4 3349 B9R1.22 CN1C[C@H](C[C@H]1CO)F 1P01XAEF [0,1,0,1,0,0|2,0,0]=4 3350 B9R1.22 CN[C@H]1CN(C[C@@H]1O)C 1P009E7V [0,1,0,1,0,0|2,0,0]=4 3351 B9R1.22 CN[C@H]1CN(C[C@@H]1O)C 1P00J2IT [0,1,0,1,0,0|2,0,0]=4 3352 B9R1.22 CO[C@@H]1CN(C[C@H]1O)C 1P01JWNH [0,1,0,1,0,0|2,0,0]=4 3353 B9R1.22 CO[C@@H]1C[C@@H](C[C@@H]1O)N 1P028VMR [0,1,0,1,0,0|2,0,0]=4 3354 B9R1.22 CO[C@H]1CN(C[C@@H]1O)C 1P020763 [0,1,0,1,0,0|2,0,0]=4 3355 B9R1.22 OC[C@@H]1C[C@@H](CN1C)N 1P00J2PL [0,1,0,1,0,0|2,0,0]=4 3356 B9R1.22 OC[C@@H]1C[C@@H](CN1C)O 1P01DZKW [0,1,0,1,0,0|2,0,0]=4 3357 B9R1.22 OC[C@@H]1C[C@H](CN1C)O 1P007EAU [0,1,0,1,0,0|2,0,0]=4 3358 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O 1P007TRT [0,1,0,1,0,0|1,0,0]=3 3359 B9R1.22 OC[C@H]1OC(=O)C[C@@H]1O 1P00C16R [0,1,0,1,0,0|1,0,1]=4 3360 B9R1.22 OC[C@H]1OC(C[C@@H]1O)O 1P019ZMT [0,1,0,1,0,0|1,0,0]=3 3361 B9R1.33 BrCCC1CCCN1C 1P01A1NX [0,1,0,1,0,0|2,0,0]=4 3362 B9R1.33 BrCCC1OCCC1C 1P028O8J [0,1,0,1,0,0|1,0,0]=3 3363 B9R1.33 BrCCN1CCCC1C 1P028N2D [0,1,0,1,0,0|2,0,0]=4 3364 B9R1.33 CC1OCCC1CCN 1P028WEI [0,1,0,1,0,0|2,0,0]=4 3365 B9R1.33 CC=C[C@@H]1CCC[C@H]1O 1P028WGE [0,1,0,1,0,0|1,0,1]=4 3366 B9R1.33 CCCC1CCCC1=O 1P000J0L [0,1,0,1,0,0|1,0,1]=4 3367 B9R1.33 CCC[C@@H]1CNC[C@H]1O 1P0289X5 [0,1,0,1,0,0|1,0,0]=3 3368 B9R1.33 CCN[C@@H]1CCC[C@H]1O 1P00NE7N [0,1,0,1,0,0|1,0,0]=3 3369 B9R1.33 CCN[C@H]1COC[C@@H]1O 1P009EE6 [0,1,0,1,0,0|0,0,0]=2 3370 B9R1.33 CCO[C@@H]1CCC[C@H]1N 1P01C2DS [0,1,0,1,0,0|2,0,0]=4 3371 B9R1.33 CCO[C@@H]1CCC[C@H]1O 1P01BHF0 [0,1,0,1,0,0|1,0,0]=3 3372 B9R1.33 CCO[C@@H]1COC[C@H]1N 1P00J3MH [0,1,0,1,0,0|1,0,0]=3 3373 B9R1.33 CCO[C@H]1COC[C@@H]1N 1P00J2DC [0,1,0,1,0,0|1,0,0]=3 3374 B9R1.33 CCSC1CCCC1N 1P019U7X [0,1,0,1,0,0|2,0,0]=4 3375 B9R1.33 CNCC1CCCC1O 1P01A313 [0,1,0,1,0,0|1,0,0]=3 3376 B9R1.33 C[C@@H]1OCC[C@@H]1CCN 1P028J1N [0,1,0,1,0,0|2,0,0]=4 3377 B9R1.33 ClCCC1CCCN1C 1P003F80 [0,1,0,1,0,0|2,0,0]=4 3378 B9R1.33 NCCC1CCCN1C 1P003F7H [0,1,0,1,0,0|2,0,0]=4 3379 B9R1.33 NCCN1CCCC1C 1P019SVQ [0,1,0,1,0,0|2,0,0]=4 3380 B9R1.33 NCC[C@@H]1CCCN1C 1P00BYXW [0,1,0,1,0,0|2,0,0]=4 3381 B9R1.33 NCC[C@@H]1CCCN1C 1P024TQ1 [0,1,0,1,0,0|2,0,0]=4 3382 B9R1.33 NCC[C@@H]1CCC[C@@H]1O 1P028WGM [0,1,0,1,0,0|1,0,0]=3 3383 B9R1.33 NCC[C@@H]1CCC[C@H]1O 1P028CO5 [0,1,0,1,0,0|1,0,0]=3 3384 B9R1.33 NCC[C@@H]1COC[C@H]1O 1P028LFI [0,1,0,1,0,0|0,0,0]=2 3385 B9R1.33 NCC[C@H]1CCCN1C 1P01DXS4 [0,1,0,1,0,0|2,0,0]=4 3386 B9R1.33 N[C@@H]1COC[C@@H]1CC=C 1P0285ZS [0,1,0,1,0,0|1,0,1]=4 3387 B9R1.33 OCCC1CCCC1N 1P00KA7L [0,1,0,1,0,0|1,0,0]=3 3388 B9R1.33 OCCC1CCCC1O 1P01BGE5 [0,1,0,1,0,0|1,0,0]=3 3389 B9R1.33 OCCC1CCCN1C 1P003EY6 [0,1,0,1,0,0|1,0,0]=3 3390 B9R1.33 OCCC1OCCC1C 1P028OO6 [0,1,0,1,0,0|0,0,0]=2 3391 B9R1.33 OCCN1CCCC1=O 1P003SQ8 [0,1,0,1,0,0|1,0,1]=4 3392 B9R1.33 OCC[C@@H]1CCCN1C 1P00EKI1 [0,1,0,1,0,0|1,0,0]=3 3393 B9R1.33 OCC[C@@H]1CCC[C@H]1N 1P0293KT [0,1,0,1,0,0|1,0,0]=3 3394 B9R1.33 OCC[C@H]1CCCN1C 1P00EKFF [0,1,0,1,0,0|1,0,0]=3 3395 B9R1.48 CC1CCCCC(=O)O1 1P006UKN [0,1,0,1,0,0|1,0,1]=4 3396 B9R1.48 CC1CNCCC(C1)O 1P028HXM [0,1,0,1,0,0|2,0,0]=4 3397 B9R1.48 CC1NCCNC(C1)C 1P028KDU [0,1,0,1,0,0|2,0,0]=4 3398 B9R1.48 CN1CCNCC(C1)O 1P0280YJ [0,1,0,1,0,0|2,0,0]=4 3399 B9R1.48 CN1CCOCC(C1)N 1P028BOP [0,1,0,1,0,0|2,0,0]=4 3400 B9R1.48 C[C@@H]1CCCOC(=O)C1 1P002E70 [0,1,0,1,0,0|1,0,1]=4 3401 B9R1.49 CC1CCCC(=O)CC1 1P01ALFG [0,1,0,1,0,0|2,0,0]=4 3402 B9R1.49 CC1CCCC(CC1)N 1P01B1O1 [0,1,0,1,0,0|2,0,0]=4 3403 B9R1.49 CC1CCCC(CN1)C 1P01ALG5 [0,1,0,1,0,0|2,0,0]=4 3404 B9R1.49 CC1CCCC(CN1)C 1P028DEI [0,1,0,1,0,0|2,0,0]=4 3405 B9R1.49 CC1NCCS(=O)CC1 1P01BENL [0,1,0,1,0,0|1,1,0]=4 3406 B9R1.49 CN1CCCC(CC1)O 1P002F6O [0,1,0,1,0,0|2,0,0]=4 3407 B9R1.49 CN1CCNC(CC1)C 1P00B20Q [0,1,0,1,0,0|2,0,0]=4 3408 B9R1.49 C[C@@H]1CCO[C@@H](CN1)C 1P028J2S [0,1,0,1,0,0|1,0,0]=3 3409 B9R1.49 FC1CCC(CNC1)F 1P027YNZ [0,1,0,1,0,0|2,0,0]=4 3410 B9R1.49 NC1CCCC(CC1)N 1P028JOK [0,1,0,1,0,0|2,0,0]=4 3411 B9R1.49 NC1CCCC(CC1)O 1P027UAM [0,1,0,1,0,0|1,0,0]=3 3412 B9R1.49 OC1CCCC(=O)NC1 1P000ZGL [0,1,0,1,0,0|1,0,1]=4 3413 B9R1.50 CC1CCCCCCN1 1P0286RS [0,1,0,1,0,0|2,0,0]=4 3414 B9R1.50 CN1CCCCNCC1 1P027W1K [0,1,0,1,0,0|2,0,0]=4 3415 B9R1.50 CN1CCCNCCC1 1P01FKVX [0,1,0,1,0,0|2,0,0]=4 3416 B9R1.50 ClC1CCCCCCC1 1P001OHL [0,1,0,1,0,0|2,0,0]=4 3417 B9R1.50 NC1CCCCCCC1 1P00IA7I [0,1,0,1,0,0|2,0,0]=4 3418 B9R1.50 NC1CCCCCNC1 1P01C0JA [0,1,0,1,0,0|2,0,0]=4 3419 B9R1.50 NC1CCCCCNC1 1P01FJAM [0,1,0,1,0,0|2,0,0]=4 3420 B9R1.50 O1C(CCCCCC1)=O 1P01FWHU [0,1,0,1,0,0|1,0,1]=4 3421 B9R1.50 O=C1CCCCCCC1 1P00354H [0,1,0,1,0,0|1,0,1]=4 3422 B9R1.50 O=C1CCCCNCC1 1P0280Z5 [0,1,0,1,0,0|1,0,1]=4 3423 B9R1.50 O=C1CCCOCCC1 1P028F98 [0,1,0,1,0,0|1,0,1]=4 3424 B9R1.50 OC1CCCC=CCC1 1P00GARS [0,1,0,1,0,0|1,0,1]=4 3425 B9R1.50 OC1CCCCCCC1 1P005JW9 [0,1,0,1,0,0|1,0,0]=3 3426 B9R1.50 O[C@H]1CCCC=CCC1 1P00CIJB [0,1,0,1,0,0|1,0,1]=4 3427 B9R1.58 CCOC1CC(C1)CO 1P01BAJ1 [0,1,0,1,0,0|2,0,0]=4 3428 B9R1.58 OCCN1CC(C1)CC 1P01DW5W [0,1,0,1,0,0|1,0,0]=3 3429 B9R1.58 OCCN1CC(C1)CF 1P001JWU [0,1,0,1,0,0|2,0,0]=4 3430 B9R1.69 CC1CCC(C(C1)C)N 1P01AIDT [0,1,0,1,0,0|2,0,0]=4 3431 B9R1.69 CC1CCC(C(C1)C)O 1P00FCDH [0,1,0,1,0,0|1,0,0]=3 3432 B9R1.69 CC1CCC(C(C1)N)O 1P01AVGZ [0,1,0,1,0,0|2,0,0]=4 3433 B9R1.69 CC1CCC(C(C1)N)O 1P028UQE [0,1,0,1,0,0|2,0,0]=4 3434 B9R1.69 CC1CCC(C(C1)O)C 1P003GGI [0,1,0,1,0,0|1,0,0]=3 3435 B9R1.69 CC1NCC(C(C1)O)C 1P01E0AK [0,1,0,1,0,0|2,0,0]=4 3436 B9R1.69 NC1CCC(C(C1)C)C 1P01AKVY [0,1,0,1,0,0|2,0,0]=4 3437 B9R1.69 NC1CCC(C(C1)C)O 1P01B99H [0,1,0,1,0,0|1,0,0]=3 3438 B9R1.69 N[C@@H]1CC[C@H]([C@@H](C1)O)C 1P021695 [0,1,0,1,0,0|1,0,0]=3 3439 B9R1.69 N[C@H]1CC[C@@H]([C@H](C1)O)C 1P028APT [0,1,0,1,0,0|1,0,0]=3 3440 B9R1.69 O=C1CCC(C(C1)C)C 1P003IZE [0,1,0,1,0,0|2,0,0]=4 3441 B9R1.69 OC1CCC(C(C1)C)C 1P003IZD [0,1,0,1,0,0|2,0,0]=4 3442 B9R1.69 OC1CCC(C(C1)C)N 1P028ZC8 [0,1,0,1,0,0|2,0,0]=4 3443 B9R1.73 CCCC(=O)C1CCC1 1P01C1SI [0,1,0,1,0,0|2,0,0]=4 3444 B9R1.73 CCCC(C1CCC1)N 1P01C21H [0,1,0,1,0,0|2,0,0]=4 3445 B9R1.73 NCC[C@@H](C1CCC1)O 1P028BOV [0,1,0,1,0,0|2,0,0]=4 3446 B9R1.73 NCC[C@H](C1CCC1)O 1P028QYK [0,1,0,1,0,0|2,0,0]=4 3447 B9R1.73 OCCC(C1CCC1)N 1P01FIC4 [0,1,0,1,0,0|1,0,0]=3 3448 B9R1.73 OCCN(C1CCC1)C 1P01AMI3 [0,1,0,1,0,0|1,0,0]=3 3449 B9R1.73 OCCN(C1CNC1)C 1P027ZR2 [0,1,0,1,0,0|2,0,0]=4 3450 B9R1.100 NCCOC(=O)C1CC1 1P01B8SY [0,1,0,1,0,0|1,0,1]=4 3451 B9R1.100 OCCCN(C1CC1)C 1P028A1H [0,1,0,1,0,0|2,0,0]=4 3452 B9R1.117 NCCCC1(O)CCC1 1P01C47G [0,1,0,1,0,0|2,0,0]=4 3453 B9R1.117 NCCOC1(C)CCC1 1P01A2AB [0,1,0,1,0,0|1,0,0]=3 3454 B9R1.117 OCCCC1(O)CCC1 1P00ILEE [0,1,0,1,0,0|1,0,0]=3 3455 B9R1.134 BrCCC1(C)OCCO1 1P003F7P [0,1,0,1,0,0|1,0,0]=3 3456 B9R1.134 CCC[N+]1(C)CCCC1 1P00EK9R [0,1,0,1,0,0|2,0,0]=4 3457 B9R1.134 CCOP1(=O)OCCO1 1P005EEB [0,1,0,1,0,0|2,0,0]=4 3458 B9R1.134 CNCC1(C)CCCO1 1P028N5T [0,1,0,1,0,0|2,0,0]=4 3459 B9R1.134 CNCC1(C)OCCO1 1P01DHHR [0,1,0,1,0,0|1,0,0]=3 3460 B9R1.134 NCCC1(C)CCCC1 1P01BAXQ [0,1,0,1,0,0|2,0,0]=4 3461 B9R1.134 NCCC1(C)CCCO1 1P0282PR [0,1,0,1,0,0|2,0,0]=4 3462 B9R1.134 NCCC1(C)OCCO1 1P00EDFB [0,1,0,1,0,0|1,0,0]=3 3463 B9R1.134 NCCC1(O)CCCC1 1P004WEU [0,1,0,1,0,0|2,0,0]=4 3464 B9R1.134 NCCC1(O)CCCC1 1P01BEOG [0,1,0,1,0,0|2,0,0]=4 3465 B9R1.134 O=CCC1(C)OCCO1 1P002HNE [0,1,0,1,0,0|1,0,1]=4 3466 B9R1.134 OCCC1(C)CNCC1 1P028SS6 [0,1,0,1,0,0|2,0,0]=4 3467 B9R1.134 OCCC1(C)COCC1 1P027UYO [0,1,0,1,0,0|2,0,0]=4 3468 B9R1.134 OCCC1(C)OCCO1 1P003I1M [0,1,0,1,0,0|1,0,0]=3 3469 B9R1.134 OCCC1(N)CCCC1 1P01BAGI [0,1,0,1,0,0|1,0,0]=3 3470 B9R1.134 OCCC1(N)COCC1 1P01BFCH [0,1,0,1,0,0|2,0,0]=4 3471 B9R1.4 CNC[C@@H]1CC[C@H]1OC 1P0281FR [0,1,0,1,0,0|2,0,0]=4 3472 B9R1.4 COCC1CCC1CN 1P01EIIM [0,1,0,1,0,0|2,0,0]=4 3473 B9R1.5 CC1CCCCCC1=O 1P01B1UZ [0,1,0,1,0,0|1,0,1]=4 3474 B9R1.5 CC1CCCCCC1N 1P019STW [0,1,0,1,0,0|2,0,0]=4 3475 B9R1.5 CC1CCNCCC1=O 1P00HHI1 [0,1,0,1,0,0|1,0,1]=4 3476 B9R1.5 CC1CCNCCC1O 1P00I1SS [0,1,0,1,0,0|1,0,0]=3 3477 B9R1.5 CC1CCNCCS1=O 1P01BEG5 [0,1,0,1,0,0|1,0,1]=4 3478 B9R1.5 CC1CCOCCC1=O 1P028VX6 [0,1,0,1,0,0|0,0,1]=3 3479 B9R1.5 CC1CNCCCC1O 1P00I1P2 [0,1,0,1,0,0|1,0,0]=3 3480 B9R1.5 NC1CCCCCC1F 1P028KTG [0,1,0,1,0,0|2,0,0]=4 3481 B9R1.5 N[C@@H]1CCCCC[C@@H]1N 1P01EKHR [0,1,0,1,0,0|2,0,0]=4 3482 B9R1.5 N[C@@H]1CCCCC[C@H]1O 1P00C14K [0,1,0,1,0,0|1,0,0]=3 3483 B9R1.5 OC1CCCCCC1=O 1P023QLZ [0,1,0,1,0,0|1,0,1]=4 3484 B9R1.5 OC1CCNCCC1F 1P00I1PF [0,1,0,1,0,0|2,0,0]=4 3485 B9R1.5 O[C@@H]1C=CCCC[C@H]1O 1P028VWN [0,1,0,1,0,0|1,0,1]=4 3486 B9R1.5 O[C@@H]1CCCCC[C@H]1Br 1P027WTJ [0,1,0,1,0,0|1,0,0]=3 3487 B9R1.14 BrCC1CCCC1OC 1P027W7A [0,1,0,1,0,0|2,0,0]=4 3488 B9R1.14 CCC1COCC1NC 1P028YZ9 [0,1,0,1,0,0|1,0,0]=3 3489 B9R1.14 CCC1NCCC1CO 1P01ALVW [0,1,0,1,0,0|1,0,0]=3 3490 B9R1.14 CN[C@@H]1COC[C@@H]1OC 1P028IVO [0,1,0,1,0,0|1,0,0]=3 3491 B9R1.14 CO[C@@H]1CNC[C@@H]1OC 1P00ICDK [0,1,0,1,0,0|2,0,0]=4 3492 B9R1.14 CO[C@@H]1CNC[C@H]1OC 1P00IIGE [0,1,0,1,0,0|2,0,0]=4 3493 B9R1.14 CO[C@H]1CNC[C@@H]1OC 1P01XAF1 [0,1,0,1,0,0|2,0,0]=4 3494 B9R1.14 ClCC1CCCN1CC 1P00D7IA [0,1,0,1,0,0|2,0,0]=4 3495 B9R1.14 NCC1CCCC1CF 1P01FJW0 [0,1,0,1,0,0|2,0,0]=4 3496 B9R1.14 NCC1CCCC1OC 1P01A54G [0,1,0,1,0,0|2,0,0]=4 3497 B9R1.14 NCC1CCCN1CC 1P002S78 [0,1,0,1,0,0|2,0,0]=4 3498 B9R1.14 NC[C@@H]1CCCN1CC 1P003D14 [0,1,0,1,0,0|2,0,0]=4 3499 B9R1.14 NC[C@@H]1CCC[C@H]1CF 1P028YLP [0,1,0,1,0,0|2,0,0]=4 3500 B9R1.14 OC[C@@H]1CCCN1CC 1P00J36N [0,1,0,1,0,0|1,0,0]=3 3501 B9R1.14 OC[C@@H]1CCC[C@@H]1CO 1P01DX44 [0,1,0,1,0,0|1,0,0]=3 3502 B9R1.14 OC[C@@H]1CNC[C@@H]1CO 1P004R41 [0,1,0,1,0,0|2,0,0]=4 3503 B9R1.14 OC[C@@H]1CNC[C@H]1CO 1P00J2M2 [0,1,0,1,0,0|2,0,0]=4 3504 B9R1.14 OC[C@H]1CCCN1CC 1P01EMWX [0,1,0,1,0,0|1,0,0]=3 3505 B9R1.16 BrCCCCC1CC1C 1P028HZ9 [0,1,0,1,0,0|2,0,0]=4 3506 B9R1.16 CCCNCC1OC1C 1P02889X [0,1,0,1,0,0|2,0,0]=4 3507 B9R1.16 NCCCCC1CC1C 1P028T4S [0,1,0,1,0,0|2,0,0]=4 3508 B9R1.16 O=CCCCC1CC1C 1P028T5D [0,1,0,1,0,0|1,0,1]=4 3509 B9R1.16 OCCCCC1CC1C 1P028EF6 [0,1,0,1,0,0|1,0,0]=3 3510 B9R1.16 SCCCCC1CC1C 1P028DXS [0,1,0,1,0,0|1,1,0]=4 3511 B9R1.17 BrCCCOC1CCC1 1P01CA7A [0,1,0,1,0,0|1,0,0]=3 3512 B9R1.17 BrCCOCC1CCC1 1P01C3NW [0,1,0,1,0,0|1,0,0]=3 3513 B9R1.17 CCCCCC1CNC1 1P01BE67 [0,1,0,1,0,0|2,0,0]=4 3514 B9R1.17 COCCOC1CNC1 1P00BI9I [0,1,0,1,0,0|1,0,0]=3 3515 B9R1.17 NCCCCC1CCC1 1P028Y08 [0,1,0,1,0,0|2,0,0]=4 3516 B9R1.17 NCCCCN1CCC1 1P00KBK8 [0,1,0,1,0,0|2,0,0]=4 3517 B9R1.17 NCCCOC1CCC1 1P01BJEM [0,1,0,1,0,0|1,0,0]=3 3518 B9R1.17 NCCOCC1CCC1 1P01ACJI [0,1,0,1,0,0|1,0,0]=3 3519 B9R1.17 NCCOCC1CCC1 1P01C4T6 [0,1,0,1,0,0|1,0,0]=3 3520 B9R1.17 OCCCNC1CCC1 1P01AG0W [0,1,0,1,0,0|1,0,0]=3 3521 B9R1.17 OCCCNC1COC1 1P01DZ4X [0,1,0,1,0,0|2,0,0]=4 3522 B9R1.17 OCCCOC1CCC1 1P01BDA8 [0,1,0,1,0,0|0,0,0]=2 3523 B9R1.17 OCCOCC1CCC1 1P01C2W8 [0,1,0,1,0,0|0,0,0]=2 3524 B9R1.83 BrCCCCCC1CC1 1P01EMEZ [0,1,0,1,0,0|2,0,0]=4 3525 B9R1.83 BrCCCOCC1CC1 1P01BL4J [0,1,0,1,0,0|1,0,0]=3 3526 B9R1.83 BrCCOCCC1CC1 1P028F1H [0,1,0,1,0,0|1,0,0]=3 3527 B9R1.83 C=CCCCCC1OC1 1P003DVO [0,1,0,1,0,0|1,0,1]=4 3528 B9R1.83 CCCCCCC1OC1 1P00331L [0,1,0,1,0,0|1,0,0]=3 3529 B9R1.83 CCCCOCC1CO1 1P003P2J [0,1,0,1,0,0|0,0,0]=2 3530 B9R1.83 CNCCOCC1CC1 1P00H2CB [0,1,0,1,0,0|1,0,0]=3 3531 B9R1.83 COCCNCC1CC1 1P002KNJ [0,1,0,1,0,0|1,0,0]=3 3532 B9R1.83 COCCOCC1CO1 1P01B1NW [0,1,0,1,0,0|1,0,0]=3 3533 B9R1.83 N#CCCNCC1CC1 1P01AB5Y [0,1,0,1,0,0|2,0,0]=4 3534 B9R1.83 NCCCCCC1CC1 1P028906 [0,1,0,1,0,0|2,0,0]=4 3535 B9R1.83 NCCCOCC1CC1 1P00BIX9 [0,1,0,1,0,0|1,0,0]=3 3536 B9R1.83 NCCOCCC1CC1 1P028L3R [0,1,0,1,0,0|1,0,0]=3 3537 B9R1.83 NOCCCCC1CC1 1P028WWJ [0,1,0,1,0,0|1,0,0]=3 3538 B9R1.83 O=CCCCCC1CC1 1P028XAO [0,1,0,1,0,0|1,0,1]=4 3539 B9R1.83 O=CCCOCC1CC1 1P01DRRU [0,1,0,1,0,0|0,0,1]=3 3540 B9R1.83 OCCCCCC1CC1 1P028F1U [0,1,0,1,0,0|1,0,0]=3 3541 B9R1.83 OCCCCCC1OC1 1P0280W7 [0,1,0,1,0,0|1,0,0]=3 3542 B9R1.83 OCCCCNC1CC1 1P01DZ29 [0,1,0,1,0,0|1,0,0]=3 3543 B9R1.83 OCCCCNC1CC1 1P028DP6 [0,1,0,1,0,0|1,0,0]=3 3544 B9R1.83 OCCCCOC1CC1 1P027Y1O [0,1,0,1,0,0|1,0,0]=3 3545 B9R1.83 OCCCOCC1CC1 1P01QTPW [0,1,0,1,0,0|0,0,0]=2 3546 B9R1.83 OCCCOCC1CO1 1P005MW3 [0,1,0,1,0,0|1,0,0]=3 3547 B9R1.83 OCCOCCC1CC1 1P028EX1 [0,1,0,1,0,0|0,0,0]=2 3548 B9R1.83 SCCCCCC1CC1 1P028UHL [0,1,0,1,0,0|1,1,0]=4 3549 B9R1.83 SCCCOCC1CC1 1P028FFL [0,1,0,1,0,0|0,1,0]=3 3550 B9R1.83 SCCOCCC1CC1 1P028EIZ [0,1,0,1,0,0|0,1,0]=3 3551 B9R1.89 BrCC1CCCCC=C1 1P028D7Y [0,1,0,1,0,0|2,0,0]=4 3552 B9R1.89 BrCC1CCCCCC1 1P00CLUM [0,1,0,1,0,0|2,0,0]=4 3553 B9R1.89 BrCC1COCCCO1 1P028V45 [0,1,0,1,0,0|1,0,0]=3 3554 B9R1.89 BrCC1COCCOC1 1P01EI6P [0,1,0,1,0,0|1,0,0]=3 3555 B9R1.89 C#CC1CCCCCC1 1P01BB1Z [0,1,0,1,0,0|2,0,0]=4 3556 B9R1.89 CCC1CCCCCN1 1P0055R0 [0,1,0,1,0,0|2,0,0]=4 3557 B9R1.89 CCC1CCNCCC1 1P00J2WU [0,1,0,1,0,0|2,0,0]=4 3558 B9R1.89 CCC1CCNCCO1 1P01FKVR [0,1,0,1,0,0|1,0,0]=3 3559 B9R1.89 CCC1CNCCCO1 1P01B8JS [0,1,0,1,0,0|1,0,0]=3 3560 B9R1.89 CCC1CNCCOC1 1P01EJHB [0,1,0,1,0,0|1,0,0]=3 3561 B9R1.89 CCC1NCCOCC1 1P01FKV9 [0,1,0,1,0,0|1,0,0]=3 3562 B9R1.89 CCN1CCCCCC1 1P0039LH [0,1,0,1,0,0|2,0,0]=4 3563 B9R1.89 CCN1CCNCCC1 1P003ES1 [0,1,0,1,0,0|2,0,0]=4 3564 B9R1.89 CCN1CCNCCC1 1P00HH0X [0,1,0,1,0,0|2,0,0]=4 3565 B9R1.89 CNC1CCCCCC1 1P00C9CB [0,1,0,1,0,0|2,0,0]=4 3566 B9R1.89 CNC1CCCCCC1 1P00J29A [0,1,0,1,0,0|2,0,0]=4 3567 B9R1.89 CNC1CCCCNC1 1P000N3K [0,1,0,1,0,0|2,0,0]=4 3568 B9R1.89 CNC1CCNCCC1 1P01A2ZU [0,1,0,1,0,0|2,0,0]=4 3569 B9R1.89 CNC1CCOCCC1 1P027YFH [0,1,0,1,0,0|1,0,0]=3 3570 B9R1.89 CNC1CCOCCC1 1P0283L6 [0,1,0,1,0,0|1,0,0]=3 3571 B9R1.89 COC1=NCCOCC1 1P01E9FE [0,1,0,1,0,0|1,0,1]=4 3572 B9R1.89 COC1CCNCCC1 1P001DB2 [0,1,0,1,0,0|2,0,0]=4 3573 B9R1.89 COC1CCNCCC1 1P0099PE [0,1,0,1,0,0|2,0,0]=4 3574 B9R1.89 COC1CNCCOC1 1P02863W [0,1,0,1,0,0|1,0,0]=3 3575 B9R1.89 CSC1CCCCNC1 1P01A1WQ [0,1,0,1,0,0|1,1,0]=4 3576 B9R1.89 CSC1CCNCCC1 1P01BHQQ [0,1,0,1,0,0|2,0,0]=4 3577 B9R1.89 ClCC1CCCCCN1 1P01B2BS [0,1,0,1,0,0|2,0,0]=4 3578 B9R1.89 FCC1CNCCCO1 1P01C3A8 [0,1,0,1,0,0|1,0,0]=3 3579 B9R1.89 ICC1CCCCCO1 1P009GZ9 [0,1,0,1,0,0|1,0,0]=3 3580 B9R1.89 N#CC1CCCCCC1 1P003PL1 [0,1,0,1,0,0|2,0,0]=4 3581 B9R1.89 N#CC1CCCCNC1 1P01P100 [0,1,0,1,0,0|2,0,0]=4 3582 B9R1.89 N#CC1CCOCCC1 1P028KJY [0,1,0,1,0,0|1,0,1]=4 3583 B9R1.89 N#CC1CNCCCO1 1P023ODH [0,1,0,1,0,0|1,0,1]=4 3584 B9R1.89 N#CC1COCCOC1 1P0286EO [0,1,0,1,0,0|1,0,1]=4 3585 B9R1.89 NCC1CCCCC=C1 1P028MAE [0,1,0,1,0,0|2,0,0]=4 3586 B9R1.89 NCC1CCCCCC1 1P0025QO [0,1,0,1,0,0|2,0,0]=4 3587 B9R1.89 NCC1CCCCCC1 1P003PKW [0,1,0,1,0,0|2,0,0]=4 3588 B9R1.89 NCC1CCCCCN1 1P01A6E8 [0,1,0,1,0,0|2,0,0]=4 3589 B9R1.89 NCC1CCCCCN1 1P0292DY [0,1,0,1,0,0|2,0,0]=4 3590 B9R1.89 NCC1CCCCNC1 1P01BCMV [0,1,0,1,0,0|2,0,0]=4 3591 B9R1.89 NCC1CCOCCC1 1P01BH2Q [0,1,0,1,0,0|1,0,0]=3 3592 B9R1.89 NCC1CCOCCC1 1P02889S [0,1,0,1,0,0|1,0,0]=3 3593 B9R1.89 NCC1CCSCCC1 1P01FJW1 [0,1,0,1,0,0|1,1,0]=4 3594 B9R1.89 NCC1COCCOC1 1P0240IP [0,1,0,1,0,0|1,0,0]=3 3595 B9R1.89 NNC1CCCCCC1 1P008N3I [0,1,0,1,0,0|2,0,0]=4 3596 B9R1.89 NNC1CCCCCC1 1P01AB4Y [0,1,0,1,0,0|2,0,0]=4 3597 B9R1.89 O=CC1CCCCCC1 1P00C13Z [0,1,0,1,0,0|1,0,1]=4 3598 B9R1.89 O=CC1CCOCCC1 1P01C5M5 [0,1,0,1,0,0|1,0,1]=4 3599 B9R1.89 OCC1CCC=CCC1 1P001Z81 [0,1,0,1,0,0|1,0,1]=4 3600 B9R1.89 OCC1CCCCC=C1 1P01EMS9 [0,1,0,1,0,0|1,0,0]=3 3601 B9R1.89 OCC1CCCCCC1 1P003PKV [0,1,0,1,0,0|1,0,0]=3 3602 B9R1.89 OCC1CCCCCC1 1P005B4A [0,1,0,1,0,0|1,0,0]=3 3603 B9R1.89 OCC1CCCCCN1 1P00AWF3 [0,1,0,1,0,0|1,0,0]=3 3604 B9R1.89 OCC1CCCCCN1 1P01B1LW [0,1,0,1,0,0|1,0,0]=3 3605 B9R1.89 OCC1CCCCNC1 1P00EXCW [0,1,0,1,0,0|1,0,0]=3 3606 B9R1.89 OCC1CCCCNC1 1P00G9Y7 [0,1,0,1,0,0|1,0,0]=3 3607 B9R1.89 OCC1CCNCCC1 1P00I3QZ [0,1,0,1,0,0|1,0,0]=3 3608 B9R1.89 OCC1CCNCCC1 1P01AFMZ [0,1,0,1,0,0|1,0,0]=3 3609 B9R1.89 OCC1CCNCCO1 1P01EMUD [0,1,0,1,0,0|0,0,0]=2 3610 B9R1.89 OCC1CCNCCO1 1P01FIBR [0,1,0,1,0,0|0,0,0]=2 3611 B9R1.89 OCC1CNCCCO1 1P003FJC [0,1,0,1,0,0|0,0,0]=2 3612 B9R1.89 OCC1CNCCCO1 1P003FJD [0,1,0,1,0,0|0,0,0]=2 3613 B9R1.89 OCC1CNCCNC1 1P00719P [0,1,0,1,0,0|2,0,0]=4 3614 B9R1.89 OCC1CNCCOC1 1P027P8J [0,1,0,1,0,0|1,0,0]=3 3615 B9R1.89 OCC1CNCCSC1 1P027XCH [0,1,0,1,0,0|1,1,0]=4 3616 B9R1.89 OCC1COCCOC1 1P01EI7R [0,1,0,1,0,0|1,0,0]=3 3617 B9R1.89 OCC1NCCOCC1 1P027YLH [0,1,0,1,0,0|1,0,0]=3 3618 B9R1.89 ON=C1CCCCCC1 1P003PKX [0,1,0,1,0,0|1,0,1]=4 3619 B9R1.89 SCC1CCCCCC1 1P0285S4 [0,1,0,1,0,0|1,1,0]=4 3620 B9R1.89 [C-]#[N+]C1CCCCCC1 1P0080GG [0,1,0,1,0,0|2,0,0]=4 3621 B9R1.103 C1CCCCCNCC1 1P003TXC [0,1,0,1,0,0|2,0,0]=4 3622 B9R1.103 C1NCCOCCOC1 1P028N6Z [0,1,0,1,0,0|0,0,0]=2 3623 B9R1.103 C1OCCSCCSC1 1P01C2LL [0,1,0,1,0,0|0,1,0]=3 3624 B9R1.103 N1CCNCCNCC1 1P003BH1 [0,1,0,1,0,0|2,0,0]=4 3625 B9R1.103 N1CCNCCNCC1 1P003E2I [0,1,0,1,0,0|2,0,0]=4 3626 B9R1.103 S1CCSCCSCC1 1P003E2N [0,1,0,1,0,0|0,2,0]=4 3627 B9R1.1 BrCC1CCC(CC1)C 1P00I4PC [0,1,0,1,0,0|2,0,0]=4 3628 B9R1.1 BrCC1CCC(CC1)F 1P01DZEU [0,1,0,1,0,0|2,0,0]=4 3629 B9R1.1 BrCC1CCC(CC1)O 1P0293TX [0,1,0,1,0,0|2,0,0]=4 3630 B9R1.1 BrCC1CCC(CO1)C 1P028VC7 [0,1,0,1,0,0|1,0,0]=3 3631 B9R1.1 BrC[C@@H]1CC[C@H](CC1)C 1P005AHT [0,1,0,1,0,0|2,0,0]=4 3632 B9R1.1 BrC[C@@H]1CC[C@H](CC1)N 1P028BUE [0,1,0,1,0,0|2,0,0]=4 3633 B9R1.1 BrC[C@@H]1CC[C@H](CC1)O 1P027UT3 [0,1,0,1,0,0|2,0,0]=4 3634 B9R1.1 CC1COC(CN1)CO 1P01A0WS [0,1,0,1,0,0|1,0,0]=3 3635 B9R1.1 CC1COC(CO1)CN 1P0282B2 [0,1,0,1,0,0|1,0,0]=3 3636 B9R1.1 CCC1CCC(CC1)Br 1P01C2PF [0,1,0,1,0,0|2,0,0]=4 3637 B9R1.1 CCC1CCC(CC1)O 1P003LSQ [0,1,0,1,0,0|2,0,0]=4 3638 B9R1.1 CCC1CCC(CN1)C 1P028UT8 [0,1,0,1,0,0|2,0,0]=4 3639 B9R1.1 CCC1CCC(NC1)C 1P008RIF [0,1,0,1,0,0|2,0,0]=4 3640 B9R1.1 CCC1CNC(CO1)C 1P01C5YS [0,1,0,1,0,0|1,0,0]=3 3641 B9R1.1 CCC1COC(CN1)C 1P008QWJ [0,1,0,1,0,0|1,0,0]=3 3642 B9R1.1 CC[C@@H]1CC[C@H](CC1)N 1P01AM5Y [0,1,0,1,0,0|2,0,0]=4 3643 B9R1.1 CC[C@@H]1CC[C@H](CC1)N 1P01AM5Z [0,1,0,1,0,0|2,0,0]=4 3644 B9R1.1 CC[C@@H]1CC[C@H](CC1)O 1P002BJ3 [0,1,0,1,0,0|2,0,0]=4 3645 B9R1.1 CC[C@@H]1CC[C@H](NC1)C 1P01B2Z4 [0,1,0,1,0,0|2,0,0]=4 3646 B9R1.1 CC[C@@H]1CC[C@H](NC1)C 1P027ZMU [0,1,0,1,0,0|2,0,0]=4 3647 B9R1.1 C[C@@H]1CO[C@H](CO1)CBr 1P028C8O [0,1,0,1,0,0|1,0,0]=3 3648 B9R1.1 C[C@@H]1CO[C@H](CO1)CN 1P0284B9 [0,1,0,1,0,0|1,0,0]=3 3649 B9R1.1 C[C@@H]1CO[C@H](CO1)CO 1P028ACC [0,1,0,1,0,0|1,0,0]=3 3650 B9R1.1 FC[C@@H]1CC[C@H](CC1)N 1P01T4JV [0,1,0,1,0,0|2,0,0]=4 3651 B9R1.1 IC[C@@H]1CC[C@H](CC1)O 1P028FGC [0,1,0,1,0,0|2,0,0]=4 3652 B9R1.1 NCC1CCC(CC1)C 1P00D218 [0,1,0,1,0,0|2,0,0]=4 3653 B9R1.1 NCC1CCC(CC1)F 1P01C46K [0,1,0,1,0,0|2,0,0]=4 3654 B9R1.1 NCC1CCC(CC1)N 1P009E33 [0,1,0,1,0,0|2,0,0]=4 3655 B9R1.1 NCC1CCC(CC1)N 1P01A49K [0,1,0,1,0,0|2,0,0]=4 3656 B9R1.1 NCC1CCC(CC1)O 1P001BEU [0,1,0,1,0,0|2,0,0]=4 3657 B9R1.1 NCC1CCC(CN1)C 1P028LOZ [0,1,0,1,0,0|2,0,0]=4 3658 B9R1.1 NC[C@@H]1CC[C@@H](CC1)O 1P000LC6 [0,1,0,1,0,0|2,0,0]=4 3659 B9R1.1 NC[C@@H]1CC[C@H](CC1)C 1P028CPA [0,1,0,1,0,0|2,0,0]=4 3660 B9R1.1 NC[C@@H]1CC[C@H](CC1)O 1P0007AY [0,1,0,1,0,0|2,0,0]=4 3661 B9R1.1 NC[C@@H]1CC[C@H](CO1)C 1P028LGY [0,1,0,1,0,0|1,0,0]=3 3662 B9R1.1 N[C@@H]1CC[C@H](OC1)CO 1P01FWK9 [0,1,0,1,0,0|0,0,0]=2 3663 B9R1.1 N[C@H]1CO[C@@H](C=C1)CO 1P023Q51 [0,1,0,1,0,0|0,0,2]=4 3664 B9R1.1 OCC1CCC(=C)CC1 1P0002DS [0,1,0,1,0,0|1,0,1]=4 3665 B9R1.1 OCC1CCC(=O)CC1 1P003KPB [0,1,0,1,0,0|1,0,1]=4 3666 B9R1.1 OCC1CCC(CC1)C 1P003M65 [0,1,0,1,0,0|1,0,0]=3 3667 B9R1.1 OCC1CCC(CC1)F 1P01C39Z [0,1,0,1,0,0|1,0,0]=3 3668 B9R1.1 OCC1CCC(CC1)N 1P019E53 [0,1,0,1,0,0|1,0,0]=3 3669 B9R1.1 OCC1CCC(CC1)O 1P003M08 [0,1,0,1,0,0|1,0,0]=3 3670 B9R1.1 OCC1CCC(NC1)C 1P00I5PB [0,1,0,1,0,0|2,0,0]=4 3671 B9R1.1 OCC1CCN(CC1)C 1P002J8I [0,1,0,1,0,0|2,0,0]=4 3672 B9R1.1 OCC1CCN(CC1)N 1P020LMG [0,1,0,1,0,0|2,0,0]=4 3673 B9R1.1 OCC1CNC(=O)CO1 1P00H1F4 [0,1,0,1,0,0|1,0,1]=4 3674 B9R1.1 OC[C@@H]1CC[C@@H](CC1)C 1P00CYWD [0,1,0,1,0,0|1,0,0]=3 3675 B9R1.1 OC[C@@H]1CC[C@@H](CC1)N 1P00BHQD [0,1,0,1,0,0|1,0,0]=3 3676 B9R1.1 OC[C@@H]1CC[C@@H](CC1)N 1P00ELX8 [0,1,0,1,0,0|1,0,0]=3 3677 B9R1.1 OC[C@@H]1CC[C@@H](CC1)O 1P01B8DV [0,1,0,1,0,0|1,0,0]=3 3678 B9R1.1 OC[C@@H]1CC[C@@H](NC1)C 1P00IL4R [0,1,0,1,0,0|2,0,0]=4 3679 B9R1.1 OC[C@@H]1CC[C@H](CC1)C 1P0074TN [0,1,0,1,0,0|1,0,0]=3 3680 B9R1.1 OC[C@@H]1CC[C@H](CC1)N 1P001EPY [0,1,0,1,0,0|1,0,0]=3 3681 B9R1.1 OC[C@@H]1CC[C@H](CC1)N 1P001N1K [0,1,0,1,0,0|1,0,0]=3 3682 B9R1.1 OC[C@@H]1CC[C@H](CC1)O 1P003VEC [0,1,0,1,0,0|1,0,0]=3 3683 B9R1.1 OC[C@@H]1CC[C@H](CN1)C 1P0286DG [0,1,0,1,0,0|1,0,0]=3 3684 B9R1.1 OC[C@@H]1CC[C@H](CN1)F 1P027XP1 [0,1,0,1,0,0|1,0,0]=3 3685 B9R1.1 OC[C@@H]1CNC(=O)CO1 1P008GZB [0,1,0,1,0,0|1,0,1]=4 3686 B9R1.1 OC[C@@H]1NC[C@H](NC1)C 1P01XC5L [0,1,0,1,0,0|2,0,0]=4 3687 B9R1.1 OC[C@H]1CC[C@H](CN1)C 1P028FF1 [0,1,0,1,0,0|1,0,0]=3 3688 B9R1.1 OC[C@H]1CC[C@H](NC1)C 1P028R2G [0,1,0,1,0,0|2,0,0]=4 3689 B9R1.1 OC[C@H]1CNC(=O)CO1 1P006KDY [0,1,0,1,0,0|1,0,1]=4 3690 B9R1.1 OC[C@H]1NC[C@@H](NC1)C 1P01XDKG [0,1,0,1,0,0|2,0,0]=4 3691 B9R1.1 SC[C@@H]1CC[C@H](CC1)C 1P0284A5 [0,1,0,1,0,0|1,1,0]=4 3692 B9R1.3 CC1C(C)CCCC1N 1P00BZID [0,1,0,1,0,0|2,0,0]=4 3693 B9R1.3 CC1C(C)CCCC1O 1P001MVK [0,1,0,1,0,0|1,0,0]=3 3694 B9R1.3 CC1CCCC(C1N)C 1P00FBUJ [0,1,0,1,0,0|2,0,0]=4 3695 B9R1.3 CC1CCCC(C1N)C 1P019MFB [0,1,0,1,0,0|2,0,0]=4 3696 B9R1.3 CC1CCCC(C1O)C 1P0033IL [0,1,0,1,0,0|1,0,0]=3 3697 B9R1.3 CC1CNCC(C1O)C 1P01B62B [0,1,0,1,0,0|2,0,0]=4 3698 B9R1.3 NC1C(C)CCCC1O 1P02894C [0,1,0,1,0,0|2,0,0]=4 3699 B9R1.3 N[C@H]1[C@H](C)CCC[C@@H]1O 1P028XHG [0,1,0,1,0,0|2,0,0]=4 3700 B9R1.3 OC1C(O)CCCC1O 1P003DRA [0,1,0,1,0,0|2,0,0]=4 3701 B9R1.3 O[C@@H]1CCC[C@@H]([C@H]1N)O 1P01DTZW [0,1,0,1,0,0|2,0,0]=4 3702 B9R1.3 O[C@@H]1[C@@H](N)CCC[C@@H]1O 1P020107 [0,1,0,1,0,0|2,0,0]=4 3703 B9R1.3 O[C@@H]1[C@H](O)CNC[C@@H]1O 1P01B5PY [0,1,0,1,0,0|2,0,0]=4 3704 B9R1.3 O[C@@H]1[C@H](O)CNC[C@@H]1O 1P01B672 [0,1,0,1,0,0|2,0,0]=4 3705 B9R1.3 O[C@H]1[C@H](N)CCC[C@H]1O 1P028YI9 [0,1,0,1,0,0|2,0,0]=4 3706 B9R1.11 BrCC(C1CCCC1)F 1P028NFM [0,1,0,1,0,0|2,0,0]=4 3707 B9R1.11 BrCC(N1CCCC1)C 1P028RKL [0,1,0,1,0,0|2,0,0]=4 3708 B9R1.11 CCC(C1CCCC1)N 1P01C1Y4 [0,1,0,1,0,0|2,0,0]=4 3709 B9R1.11 CCC(C1CCCN1)C 1P020192 [0,1,0,1,0,0|2,0,0]=4 3710 B9R1.11 CCC(C1CCCO1)N 1P01A384 [0,1,0,1,0,0|1,0,0]=3 3711 B9R1.11 CCC([C@@H]1CCCN1)O 1P027YOB [0,1,0,1,0,0|2,0,0]=4 3712 B9R1.11 CCC([C@H]1CCCN1)O 1P028OGY [0,1,0,1,0,0|2,0,0]=4 3713 B9R1.11 CNC(C1CCCO1)C 1P028J2D [0,1,0,1,0,0|2,0,0]=4 3714 B9R1.11 NCC(C1CCCC1)C 1P0289AT [0,1,0,1,0,0|2,0,0]=4 3715 B9R1.11 NCC(C1CCCC1)N 1P01BEYS [0,1,0,1,0,0|2,0,0]=4 3716 B9R1.11 NCC(C1CCCC1)O 1P01AJVW [0,1,0,1,0,0|2,0,0]=4 3717 B9R1.11 NCC(C1CCCO1)O 1P01BVIS [0,1,0,1,0,0|2,0,0]=4 3718 B9R1.11 NCC(N1CCCC1)C 1P00DDGP [0,1,0,1,0,0|2,0,0]=4 3719 B9R1.11 NC[C@@H](N1CCCC1)C 1P028EDJ [0,1,0,1,0,0|2,0,0]=4 3720 B9R1.11 NC[C@H](N1CCCC1)C 1P027XQJ [0,1,0,1,0,0|2,0,0]=4 3721 B9R1.11 OCC(=O)N1CCCC1 1P01ABJE [0,1,0,1,0,0|1,0,1]=4 3722 B9R1.11 OCC(C1CCCC1)F 1P028NX9 [0,1,0,1,0,0|1,0,0]=3 3723 B9R1.11 OCC(C1CCCC1)N 1P00ASQI [0,1,0,1,0,0|1,0,0]=3 3724 B9R1.11 OCC(C1CCCN1)O 1P028IUX [0,1,0,1,0,0|2,0,0]=4 3725 B9R1.11 OCC(C1COCC1)C 1P027OEA [0,1,0,1,0,0|2,0,0]=4 3726 B9R1.11 OCC(C1COCC1)F 1P028UIT [0,1,0,1,0,0|2,0,0]=4 3727 B9R1.11 OCC(C1COCC1)N 1P003GT5 [0,1,0,1,0,0|2,0,0]=4 3728 B9R1.11 OCC(C1COCC1)N 1P019ZM5 [0,1,0,1,0,0|2,0,0]=4 3729 B9R1.11 OCC(N1CCCC1)C 1P00J9Q2 [0,1,0,1,0,0|1,0,0]=3 3730 B9R1.11 OC[C@@H](N1CCCC1)C 1P00F9PW [0,1,0,1,0,0|1,0,0]=3 3731 B9R1.11 OC[C@H](N1CCCC1)C 1P00BAC0 [0,1,0,1,0,0|1,0,0]=3 3732 B9R1.21 CC[C@@H]1CC[C@@H](O1)CN 1P028VL1 [0,1,0,1,0,0|2,0,0]=4 3733 B9R1.21 CO[C@@H]1CN[C@@H](C1)CO 1P01AV66 [0,1,0,1,0,0|2,0,0]=4 3734 B9R1.21 CO[C@H]1CN[C@@H](C1)CO 1P020420 [0,1,0,1,0,0|2,0,0]=4 3735 B9R1.21 NCC1OCC(C1)CO 1P028OL4 [0,1,0,1,0,0|2,0,0]=4 3736 B9R1.21 NC[C@@H]1CC[C@@H](C1)CO 1P028WQV [0,1,0,1,0,0|2,0,0]=4 3737 B9R1.21 OCC1CCC(N1)CO 1P00DLDR [0,1,0,1,0,0|2,0,0]=4 3738 B9R1.21 OCC1CCC(O1)CO 1P008SKX [0,1,0,1,0,0|2,0,0]=4 3739 B9R1.21 OCC1CCN(C1)CC 1P00EEP7 [0,1,0,1,0,0|2,0,0]=4 3740 B9R1.21 OCC1COC(C1)CI 1P028C1V [0,1,0,1,0,0|2,0,0]=4 3741 B9R1.21 OCC1NCC(C1)CO 1P01EIIC [0,1,0,1,0,0|2,0,0]=4 3742 B9R1.21 OC[C@@H]1CC[C@@H](N1)CO 1P0283QE [0,1,0,1,0,0|2,0,0]=4 3743 B9R1.21 OC[C@@H]1CC[C@@H](O1)CO 1P007QZO [0,1,0,1,0,0|2,0,0]=4 3744 B9R1.79 NCC(CC1CCC1)O 1P027WBF [0,1,0,1,0,0|2,0,0]=4 3745 B9R1.79 OCC(=O)OC1CCC1 1P028K01 [0,1,0,1,0,0|0,0,1]=3 3746 B9R1.79 OCC(CC1CCC1)C 1P028QD6 [0,1,0,1,0,0|1,0,0]=3 3747 B9R1.79 OCC(CC1CCC1)N 1P01ALOI [0,1,0,1,0,0|1,0,0]=3 3748 B9R1.79 OCC(CC1CCC1)N 1P01BHEB [0,1,0,1,0,0|1,0,0]=3 3749 B9R1.80 CCC(CNC1CC1)O 1P028JMN [0,1,0,1,0,0|2,0,0]=4 3750 B9R1.80 NCC(=O)OCC1CC1 1P01A9SA [0,1,0,1,0,0|1,0,1]=4 3751 B9R1.80 NCC(CCC1CC1)O 1P028VUW [0,1,0,1,0,0|2,0,0]=4 3752 B9R1.80 OCC(CCC1CC1)N 1P028GF0 [0,1,0,1,0,0|1,0,0]=3 3753 B9R1.99 C=CCOCC1(Br)CC1 1P028AV0 [0,1,0,1,0,0|1,0,1]=4 3754 B9R1.99 OCCCCC1(N)CC1 1P027VP3 [0,1,0,1,0,0|1,0,0]=3 3755 B9R1.118 BrCC1(C)CCCCC1 1P00CLBM [0,1,0,1,0,0|2,0,0]=4 3756 B9R1.118 BrCC1(C)CCCCO1 1P01BLAN [0,1,0,1,0,0|1,0,0]=3 3757 B9R1.118 BrCC1(C)CCCOC1 1P01BVOI [0,1,0,1,0,0|2,0,0]=4 3758 B9R1.118 BrCC1(F)CCCCC1 1P01BC30 [0,1,0,1,0,0|2,0,0]=4 3759 B9R1.118 BrCC1(O)CCCCC1 1P01C6DX [0,1,0,1,0,0|2,0,0]=4 3760 B9R1.118 CC1(CC)CNCCO1 1P019RSX [0,1,0,1,0,0|1,0,0]=3 3761 B9R1.118 CC1(CI)COCCO1 1P01EMCK [0,1,0,1,0,0|1,0,0]=3 3762 B9R1.118 CC1(CI)CSCCO1 1P028ZU1 [0,1,0,1,0,0|1,1,0]=4 3763 B9R1.118 CC1(CN)COCCO1 1P01CAMR [0,1,0,1,0,0|1,0,0]=3 3764 B9R1.118 CC1(CN)COCCO1 1P01EK49 [0,1,0,1,0,0|1,0,0]=3 3765 B9R1.118 CC1(CN)CSCCO1 1P028UKX [0,1,0,1,0,0|1,1,0]=4 3766 B9R1.118 CC1(CO)CC=CCO1 1P0291KP [0,1,0,1,0,0|0,0,2]=4 3767 B9R1.118 CC1(CO)COCCN1 1P0097QA [0,1,0,1,0,0|2,0,0]=4 3768 B9R1.118 CC1(CO)COCCN1 1P01A62R [0,1,0,1,0,0|2,0,0]=4 3769 B9R1.118 CC1(CO)COCCO1 1P01XH9W [0,1,0,1,0,0|1,0,0]=3 3770 B9R1.118 CC1(COCCO1)C=O 1P0280K9 [0,1,0,1,0,0|1,0,1]=4 3771 B9R1.118 CCC1(C)CCCNC1 1P00J2YX [0,1,0,1,0,0|2,0,0]=4 3772 B9R1.118 CCC1(C)CCCNC1 1P01AJ2F [0,1,0,1,0,0|2,0,0]=4 3773 B9R1.118 CCC1(F)CCCNC1 1P028V84 [0,1,0,1,0,0|2,0,0]=4 3774 B9R1.118 CCC1(N)CCCCC1 1P00IGIH [0,1,0,1,0,0|2,0,0]=4 3775 B9R1.118 CCC1(O)CCCCC1 1P00383K [0,1,0,1,0,0|2,0,0]=4 3776 B9R1.118 CCC1(O)CCCNC1 1P009A1X [0,1,0,1,0,0|2,0,0]=4 3777 B9R1.118 ICC1(O)CCCCC1 1P0291NY [0,1,0,1,0,0|2,0,0]=4 3778 B9R1.118 N#CC1(C)CCCCO1 1P01A0FY [0,1,0,1,0,0|1,0,1]=4 3779 B9R1.118 NCC1(C)CCCCC1 1P00C9HA [0,1,0,1,0,0|2,0,0]=4 3780 B9R1.118 NCC1(C)CCCCC1 1P01A028 [0,1,0,1,0,0|2,0,0]=4 3781 B9R1.118 NCC1(C)CCCCO1 1P019ZXN [0,1,0,1,0,0|1,0,0]=3 3782 B9R1.118 NCC1(C)CCCOC1 1P01A2GU [0,1,0,1,0,0|2,0,0]=4 3783 B9R1.118 NCC1(C)OCCCO1 1P018SOE [0,1,0,1,0,0|2,0,0]=4 3784 B9R1.118 NCC1(F)CCCCC1 1P00HVVX [0,1,0,1,0,0|2,0,0]=4 3785 B9R1.118 NCC1(N)CCCCC1 1P00DNJB [0,1,0,1,0,0|2,0,0]=4 3786 B9R1.118 NCC1(N)CCCCC1 1P00HHNL [0,1,0,1,0,0|2,0,0]=4 3787 B9R1.118 NCC1(O)CCCCC1 1P002CR4 [0,1,0,1,0,0|2,0,0]=4 3788 B9R1.118 NCC1(O)CCCCC1 1P00COUY [0,1,0,1,0,0|2,0,0]=4 3789 B9R1.118 NCC1(O)CCCOC1 1P01V89A [0,1,0,1,0,0|2,0,0]=4 3790 B9R1.118 O=CC1(C)CCCCO1 1P01CAQW [0,1,0,1,0,0|0,0,2]=4 3791 B9R1.118 OCC1(C)CCCCC1 1P001D2H [0,1,0,1,0,0|1,0,0]=3 3792 B9R1.118 OCC1(C)CCCCN1 1P00J3PC [0,1,0,1,0,0|1,0,0]=3 3793 B9R1.118 OCC1(C)CCCCO1 1P01DR93 [0,1,0,1,0,0|0,0,0]=2 3794 B9R1.118 OCC1(C)CCCNC1 1P0070K9 [0,1,0,1,0,0|2,0,0]=4 3795 B9R1.118 OCC1(C)CCCOC1 1P01B7WZ [0,1,0,1,0,0|2,0,0]=4 3796 B9R1.118 OCC1(C)CCNCC1 1P002ZO5 [0,1,0,1,0,0|2,0,0]=4 3797 B9R1.118 OCC1(C)CCNCC1 1P009W25 [0,1,0,1,0,0|2,0,0]=4 3798 B9R1.118 OCC1(C)CCOCC1 1P003KP8 [0,1,0,1,0,0|2,0,0]=4 3799 B9R1.118 OCC1(C)NCCNC1 1P027X3E [0,1,0,1,0,0|2,0,0]=4 3800 B9R1.118 OCC1(Cl)CCOCC1 1P01B976 [0,1,0,1,0,0|2,0,0]=4 3801 B9R1.118 OCC1(F)CCCCC1 1P000EAY [0,1,0,1,0,0|1,0,0]=3 3802 B9R1.118 OCC1(F)CCCNC1 1P00HWLX [0,1,0,1,0,0|2,0,0]=4 3803 B9R1.118 OCC1(F)CCCOC1 1P00HYSD [0,1,0,1,0,0|2,0,0]=4 3804 B9R1.118 OCC1(F)CCNCC1 1P000O48 [0,1,0,1,0,0|2,0,0]=4 3805 B9R1.118 OCC1(F)CCOCC1 1P00H065 [0,1,0,1,0,0|2,0,0]=4 3806 B9R1.118 OCC1(N)CCCCC1 1P00DDF1 [0,1,0,1,0,0|1,0,0]=3 3807 B9R1.118 OCC1(N)CCCCC1 1P00DKCR [0,1,0,1,0,0|1,0,0]=3 3808 B9R1.118 OCC1(N)CCCOC1 1P020LC5 [0,1,0,1,0,0|2,0,0]=4 3809 B9R1.118 OCC1(N)CCNCC1 1P019UEH [0,1,0,1,0,0|2,0,0]=4 3810 B9R1.118 OCC1(N)CCOCC1 1P003CB4 [0,1,0,1,0,0|2,0,0]=4 3811 B9R1.118 OCC1(N)CCOCC1 1P00ILCN [0,1,0,1,0,0|2,0,0]=4 3812 B9R1.118 OCC1(N)CCSCC1 1P003CB5 [0,1,0,1,0,0|2,0,0]=4 3813 B9R1.118 OCC1(N)CCSCC1 1P01C2XI [0,1,0,1,0,0|2,0,0]=4 3814 B9R1.118 OCC1(O)CCCCC1 1P001PYJ [0,1,0,1,0,0|1,0,0]=3 3815 B9R1.118 OCC1(O)CCNCC1 1P00CH2N [0,1,0,1,0,0|2,0,0]=4 3816 B9R1.118 OCC1(O)CCNCC1 1P00GVXI [0,1,0,1,0,0|2,0,0]=4 3817 B9R1.118 OCC1(O)CCOCC1 1P01B68K [0,1,0,1,0,0|2,0,0]=4 3818 B9R1.118 OCC1(S)CCCCC1 1P01C269 [0,1,0,1,0,0|1,0,0]=3 3819 B9R1.118 OC[C@@]1(C)CCCNC1 1P02050H [0,1,0,1,0,0|2,0,0]=4 3820 B9R1.118 OC[C@@]1(F)CCCNC1 1P02057T [0,1,0,1,0,0|2,0,0]=4 3821 B9R1.118 OC[C@]1(C)CCCNC1 1P02050C [0,1,0,1,0,0|2,0,0]=4 3822 B9R1.118 SCC1(C)CCCCC1 1P01AV00 [0,1,0,1,0,0|1,1,0]=4 3823 B9R1.118 SCC1(C)CCCCO1 1P029187 [0,1,0,1,0,0|0,1,0]=3 3824 B9R1.118 SCC1(C)CCCOC1 1P0285HL [0,1,0,1,0,0|2,0,0]=4 3825 B9R1.132 OC[C@@H]1NC[C@H]([C@H]1O)O 1P028N36 [0,1,0,1,0,0|2,0,0]=4 3826 B9R1.132 OC[C@H]1NC[C@H]([C@@H]1O)O 1P008Z39 [0,1,0,1,0,0|2,0,0]=4 3827 B9R1.202 CC1(CO)CNCC1C 1P01B7AV [0,1,0,1,0,0|2,0,0]=4 3828 B9R1.202 CCC1(C)NCCC1O 1P0283X8 [0,1,0,1,0,0|2,0,0]=4 3829 B9R1.202 NCC1(C)CCCC1C 1P01BZPZ [0,1,0,1,0,0|2,0,0]=4 3830 B9R1.202 NCC1(C)CCCC1O 1P028V3J [0,1,0,1,0,0|2,0,0]=4 3831 B9R1.202 OCC1(C)CCCC1N 1P01AL7G [0,1,0,1,0,0|2,0,0]=4 3832 B9R1.202 OCC1(C)CCCN1C 1P028AMM [0,1,0,1,0,0|2,0,0]=4 3833 B9R1.202 OC[C@]1(C)CCCN1C 1P027OMC [0,1,0,1,0,0|2,0,0]=4 3834 B9R1.202 OC[C@]1(C)CCC[C@H]1N 1P028WX2 [0,1,0,1,0,0|2,0,0]=4 3835 B9R1.6 CC(=C)C1CNCCO1 1P028ZSJ [0,1,0,1,0,0|1,0,1]=4 3836 B9R1.6 CC(=O)C1CCCCO1 1P01BY6Z [0,1,0,1,0,0|0,0,2]=4 3837 B9R1.6 CC(=O)C1CCCOC1 1P01A63Q [0,1,0,1,0,0|1,0,1]=4 3838 B9R1.6 CC(=O)C1CNCCO1 1P000K3R [0,1,0,1,0,0|1,0,1]=4 3839 B9R1.6 CC(=O)C1COCCO1 1P01A0J7 [0,1,0,1,0,0|0,0,1]=3 3840 B9R1.6 CC(C1CCCCC1)Br 1P003BVW [0,1,0,1,0,0|2,0,0]=4 3841 B9R1.6 CC(C1CCCCC1)C 1P003RLX [0,1,0,1,0,0|2,0,0]=4 3842 B9R1.6 CC(C1CCCCC1)N 1P002UMI [0,1,0,1,0,0|2,0,0]=4 3843 B9R1.6 CC(C1CCCCC1)N 1P00DD25 [0,1,0,1,0,0|2,0,0]=4 3844 B9R1.6 CC(C1CCCCC1)O 1P000J0E [0,1,0,1,0,0|1,0,0]=3 3845 B9R1.6 CC(C1CCCCC1)S 1P01AAN1 [0,1,0,1,0,0|1,1,0]=4 3846 B9R1.6 CC(C1CCCCN1)C 1P00HEMU [0,1,0,1,0,0|2,0,0]=4 3847 B9R1.6 CC(C1CCCCN1)O 1P00DFQ1 [0,1,0,1,0,0|1,0,0]=3 3848 B9R1.6 CC(C1CCCCO1)N 1P00IZRJ [0,1,0,1,0,0|1,0,0]=3 3849 B9R1.6 CC(C1CCCCO1)O 1P028DXB [0,1,0,1,0,0|0,0,0]=2 3850 B9R1.6 CC(C1CCCNC1)C 1P009E86 [0,1,0,1,0,0|2,0,0]=4 3851 B9R1.6 CC(C1CCCNC1)O 1P019V9Q [0,1,0,1,0,0|2,0,0]=4 3852 B9R1.6 CC(C1CCCOC1)Br 1P028YPL [0,1,0,1,0,0|1,0,0]=3 3853 B9R1.6 CC(C1CCCOC1)N 1P01A5YA [0,1,0,1,0,0|1,0,0]=3 3854 B9R1.6 CC(C1CCNCC1)O 1P003DHN [0,1,0,1,0,0|2,0,0]=4 3855 B9R1.6 CC(C1CCNCC1)O 1P00J27V [0,1,0,1,0,0|2,0,0]=4 3856 B9R1.6 CC(C1CCOCC1)O 1P00FGM4 [0,1,0,1,0,0|2,0,0]=4 3857 B9R1.6 CC(C1CNCCO1)O 1P01C3QX [0,1,0,1,0,0|1,0,0]=3 3858 B9R1.6 CC(C1COCCN1)O 1P021XJL [0,1,0,1,0,0|1,0,0]=3 3859 B9R1.6 CC(C1COCCO1)N 1P027YVA [0,1,0,1,0,0|0,0,0]=2 3860 B9R1.6 CC(C1NCCNC1)C 1P004SJO [0,1,0,1,0,0|2,0,0]=4 3861 B9R1.6 CC(C1NCCOC1)C 1P00H06K [0,1,0,1,0,0|1,0,0]=3 3862 B9R1.6 CC(C1OCCNC1)C 1P003XWP [0,1,0,1,0,0|1,0,0]=3 3863 B9R1.6 CC(C1OCCNC1)C 1P00A0SL [0,1,0,1,0,0|1,0,0]=3 3864 B9R1.6 CC(C1SCCNC1)C 1P018SPA [0,1,0,1,0,0|1,1,0]=4 3865 B9R1.6 CC([C@@H]1NCCOC1)C 1P0057CR [0,1,0,1,0,0|1,0,0]=3 3866 B9R1.6 CC([C@@H]1NCCOC1)C 1P00CGP4 [0,1,0,1,0,0|1,0,0]=3 3867 B9R1.6 CC([C@@H]1OCCNC1)C 1P000YRN [0,1,0,1,0,0|1,0,0]=3 3868 B9R1.6 CC([C@H]1NCCNC1)C 1P0016CC [0,1,0,1,0,0|2,0,0]=4 3869 B9R1.6 CC([C@H]1NCCOC1)C 1P000JX9 [0,1,0,1,0,0|1,0,0]=3 3870 B9R1.6 CC([C@H]1NCCOC1)C 1P005WLL [0,1,0,1,0,0|1,0,0]=3 3871 B9R1.6 CC([C@H]1OCCNC1)C 1P005LPU [0,1,0,1,0,0|1,0,0]=3 3872 B9R1.6 C[C@@H](C1CCCCC1)N 1P002016 [0,1,0,1,0,0|2,0,0]=4 3873 B9R1.6 C[C@@H](C1CCCCC1)O 1P019ROS [0,1,0,1,0,0|1,0,0]=3 3874 B9R1.6 C[C@@H](C1CCNCC1)O 1P01BSDE [0,1,0,1,0,0|2,0,0]=4 3875 B9R1.6 C[C@@H](C1CCOCC1)O 1P01ADE8 [0,1,0,1,0,0|2,0,0]=4 3876 B9R1.6 C[C@@H](C1CNCCO1)O 1P01FI3Y [0,1,0,1,0,0|1,0,0]=3 3877 B9R1.6 C[C@@H](C1COCCO1)O 1P028IP5 [0,1,0,1,0,0|0,0,0]=2 3878 B9R1.6 C[C@H](C1CCCCC1)N 1P003CJ1 [0,1,0,1,0,0|2,0,0]=4 3879 B9R1.6 C[C@H](C1CCCCC1)N 1P01XGLS [0,1,0,1,0,0|2,0,0]=4 3880 B9R1.6 C[C@H](C1CCCCC1)O 1P019ROR [0,1,0,1,0,0|1,0,0]=3 3881 B9R1.6 C[C@H](C1CCNCC1)O 1P01BSDH [0,1,0,1,0,0|2,0,0]=4 3882 B9R1.6 C[C@H](C1CCNCC1)O 1P01BSDI [0,1,0,1,0,0|2,0,0]=4 3883 B9R1.6 C[C@H](C1CCOCC1)O 1P01ADE7 [0,1,0,1,0,0|2,0,0]=4 3884 B9R1.6 C[C@H](C1CNCCO1)O 1P01FI3Z [0,1,0,1,0,0|1,0,0]=3 3885 B9R1.6 FC(C1CCCCN1)F 1P01B92U [0,1,0,1,0,0|2,0,0]=4 3886 B9R1.6 FC(C1NCCOC1)F 1P028NAA [0,1,0,1,0,0|2,0,0]=4 3887 B9R1.6 FC(C1OCCNC1)F 1P01AHFZ [0,1,0,1,0,0|2,0,0]=4 3888 B9R1.6 FC([C@@H]1CCCCN1)F 1P028GVV [0,1,0,1,0,0|2,0,0]=4 3889 B9R1.6 FC([C@H]1CCCCN1)F 1P028RA8 [0,1,0,1,0,0|2,0,0]=4 3890 B9R1.6 NC(=N)C1CCCCO1 1P027VBP [0,1,0,1,0,0|1,0,1]=4 3891 B9R1.6 OB(C1CCCCC1)O 1P003PM4 [0,1,0,1,0,0|2,0,0]=4 3892 B9R1.6 OC(=O)C1CCCCC1 1P003546 [0,1,0,1,0,0|1,0,1]=4 3893 B9R1.6 OC(=O)C1CCCCN1 1P001QUT [0,1,0,1,0,0|1,0,1]=4 3894 B9R1.6 OC(=O)C1CCCCN1 1P0032UQ [0,1,0,1,0,0|1,0,1]=4 3895 B9R1.6 OC(=O)C1CCCCO1 1P003V5T [0,1,0,1,0,0|0,0,1]=3 3896 B9R1.6 OC(=O)C1CCCCS1 1P00DYOK [0,1,0,1,0,0|0,1,1]=4 3897 B9R1.6 OC(=O)C1CNCCO1 1P003I7L [0,1,0,1,0,0|1,0,1]=4 3898 B9R1.6 OC(=O)C1CNCCO1 1P003I7M [0,1,0,1,0,0|1,0,1]=4 3899 B9R1.6 OC(=O)C1COCCO1 1P003ZD6 [0,1,0,1,0,0|1,0,1]=4 3900 B9R1.6 OC(=O)C1OCCCO1 1P01B1T9 [0,1,0,1,0,0|1,0,1]=4 3901 B9R1.6 OC(=O)[C@@H]1CCCCN1 1P0032HJ [0,1,0,1,0,0|1,0,1]=4 3902 B9R1.6 OC(=O)[C@@H]1CCCCN1 1P0073ED [0,1,0,1,0,0|1,0,1]=4 3903 B9R1.6 OC(=O)[C@@H]1CCCCO1 1P007F1C [0,1,0,1,0,0|0,0,1]=3 3904 B9R1.6 OC(=O)[C@@H]1CNCCO1 1P001J3F [0,1,0,1,0,0|1,0,1]=4 3905 B9R1.6 OC(=O)[C@@H]1COCCO1 1P0023WB [0,1,0,1,0,0|1,0,1]=4 3906 B9R1.6 OC(=O)[C@H]1CCCCN1 1P00C087 [0,1,0,1,0,0|1,0,1]=4 3907 B9R1.6 OC(=O)[C@H]1CCCCO1 1P007F1B [0,1,0,1,0,0|0,0,1]=3 3908 B9R1.6 OC(=O)[C@H]1CNCCO1 1P000XF5 [0,1,0,1,0,0|1,0,1]=4 3909 B9R1.6 OC(=O)[C@H]1CNCCO1 1P009BB3 [0,1,0,1,0,0|1,0,1]=4 3910 B9R1.6 OC(=O)[C@H]1COCCO1 1P00AO1E [0,1,0,1,0,0|1,0,1]=4 3911 B9R1.6 OS(=O)C1CCCCC1 1P01C8KI [0,1,0,1,0,0|2,0,0]=4 3912 B9R1.13 CC(=O)CC1CCCO1 1P007EYH [0,1,0,1,0,0|1,0,1]=4 3913 B9R1.13 CC(CC1CCCC1)N 1P007FVO [0,1,0,1,0,0|2,0,0]=4 3914 B9R1.13 CC(CC1CCCN1)C 1P0094TE [0,1,0,1,0,0|2,0,0]=4 3915 B9R1.13 CC(CC1CCCN1)O 1P01A2LX [0,1,0,1,0,0|2,0,0]=4 3916 B9R1.13 CC(CC1CCCO1)N 1P01A9VY [0,1,0,1,0,0|1,0,0]=3 3917 B9R1.13 CC(CC1CCCO1)O 1P028ZRN [0,1,0,1,0,0|1,0,0]=3 3918 B9R1.13 CC(CC1OCCO1)Br 1P007DGV [0,1,0,1,0,0|0,0,0]=2 3919 B9R1.13 CC(CC1OCCO1)N 1P01BE3Z [0,1,0,1,0,0|0,0,0]=2 3920 B9R1.13 CC(CN1CCCC1)N 1P003D97 [0,1,0,1,0,0|2,0,0]=4 3921 B9R1.13 CC(CN1CCCC1)O 1P00COOF [0,1,0,1,0,0|1,0,0]=3 3922 B9R1.13 C[C@@H](CN1CCCC1)N 1P01EYKR [0,1,0,1,0,0|2,0,0]=4 3923 B9R1.13 C[C@@H](CN1CCCC1)O 1P009LB0 [0,1,0,1,0,0|1,0,0]=3 3924 B9R1.13 C[C@H](CN1CCCC1)N 1P00Q0YT [0,1,0,1,0,0|2,0,0]=4 3925 B9R1.13 OB(CC1CCCC1)O 1P01C4QN [0,1,0,1,0,0|2,0,0]=4 3926 B9R1.13 OC(=O)CC1CCCC1 1P003PNA [0,1,0,1,0,0|1,0,1]=4 3927 B9R1.13 OC(=O)CC1OCCO1 1P00VVZG [0,1,0,1,0,0|1,0,1]=4 3928 B9R1.13 OC(=O)CN1CCCC1 1P003F6L [0,1,0,1,0,0|1,0,1]=4 3929 B9R1.13 OC(=O)CN1CCCC1 1P00FDGP [0,1,0,1,0,0|1,0,1]=4 3930 B9R1.24 BrCC1CCCC1(C)C 1P0291NB [0,1,0,1,0,0|2,0,0]=4 3931 B9R1.24 CCC1CNCC1(F)F 1P02492T [0,1,0,1,0,0|2,0,0]=4 3932 B9R1.24 CNC1CCCC1(C)O 1P028FHS [0,1,0,1,0,0|2,0,0]=4 3933 B9R1.24 CNC1COCC1(C)C 1P028R9J [0,1,0,1,0,0|2,0,0]=4 3934 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 1P027Y18 [0,1,0,1,0,0|2,0,0]=4 3935 B9R1.24 ICC1OCCC1(C)C 1P01EME6 [0,1,0,1,0,0|1,0,0]=3 3936 B9R1.24 NCC1CCCC1(C)C 1P01ANDY [0,1,0,1,0,0|2,0,0]=4 3937 B9R1.24 NCC1COCC1(C)C 1P028AW1 [0,1,0,1,0,0|2,0,0]=4 3938 B9R1.24 NCC1OCCC1(C)C 1P01FK7T [0,1,0,1,0,0|1,0,0]=3 3939 B9R1.24 NCC1OCCC1(C)C 1P028YJI [0,1,0,1,0,0|1,0,0]=3 3940 B9R1.24 OCC1CCCC1(C)C 1P01DWSZ [0,1,0,1,0,0|1,0,0]=3 3941 B9R1.24 OCC1CCCC1(F)F 1P01AMSH [0,1,0,1,0,0|2,0,0]=4 3942 B9R1.24 OCC1CCNC1(C)C 1P01DW1E [0,1,0,1,0,0|2,0,0]=4 3943 B9R1.24 OCC1CCSC1(C)C 1P01DX5U [0,1,0,1,0,0|2,0,0]=4 3944 B9R1.24 OCC1CNCC1(C)C 1P028IKZ [0,1,0,1,0,0|2,0,0]=4 3945 B9R1.24 OCC1NCCC1(F)F 1P01JV0V [0,1,0,1,0,0|2,0,0]=4 3946 B9R1.24 OCC1OCCC1(C)C 1P008LR1 [0,1,0,1,0,0|0,0,0]=2 3947 B9R1.24 OC[C@@H]1CCC[C@]1(C)N 1P009BZB [0,1,0,1,0,0|1,0,0]=3 3948 B9R1.40 CC1CCCCC1(C)N 1P01C2NY [0,1,0,1,0,0|2,0,0]=4 3949 B9R1.40 CC1CCCCC1(C)O 1P00DBGY [0,1,0,1,0,0|1,0,0]=3 3950 B9R1.40 CC1CCNCC1(C)C 1P01AC2A [0,1,0,1,0,0|2,0,0]=4 3951 B9R1.40 CC1CCNCC1(F)F 1P00I7UF [0,1,0,1,0,0|2,0,0]=4 3952 B9R1.40 CC1CNCCC1(C)O 1P00I3S0 [0,1,0,1,0,0|2,0,0]=4 3953 B9R1.40 FC1COCCC1(O)O 1P00HYGD [0,1,0,1,0,0|2,0,0]=4 3954 B9R1.40 NC1CCCCC1(C)C 1P00I54M [0,1,0,1,0,0|2,0,0]=4 3955 B9R1.40 NC1CCCCC1(C)C 1P028VS5 [0,1,0,1,0,0|2,0,0]=4 3956 B9R1.40 NC1CCCCC1(C)O 1P01A5EX [0,1,0,1,0,0|2,0,0]=4 3957 B9R1.40 NC1CCOCC1(C)C 1P001CFW [0,1,0,1,0,0|2,0,0]=4 3958 B9R1.40 NC1CCOCC1(C)C 1P01DWDM [0,1,0,1,0,0|2,0,0]=4 3959 B9R1.40 NC1COCCC1(F)F 1P02014U [0,1,0,1,0,0|2,0,0]=4 3960 B9R1.40 N[C@@H]1CCCC[C@@]1(C)O 1P01EBMI [0,1,0,1,0,0|2,0,0]=4 3961 B9R1.40 OC1CCCCC1(C)C 1P000J0W [0,1,0,1,0,0|1,0,0]=3 3962 B9R1.40 OC1CCCCC1(F)F 1P01JVLX [0,1,0,1,0,0|2,0,0]=4 3963 B9R1.40 OC1CCCNC1(C)C 1P028X47 [0,1,0,1,0,0|2,0,0]=4 3964 B9R1.40 OC1CCNCC1(C)C 1P0033YE [0,1,0,1,0,0|2,0,0]=4 3965 B9R1.40 OC1CCNCC1(C)F 1P0205RI [0,1,0,1,0,0|2,0,0]=4 3966 B9R1.40 OC1CCOCC1(C)C 1P01JJ10 [0,1,0,1,0,0|2,0,0]=4 3967 B9R1.40 OC1CNCCC1(C)C 1P01SLFL [0,1,0,1,0,0|1,0,0]=3 3968 B9R1.40 OC1CNCCC1(F)F 1P00HF67 [0,1,0,1,0,0|2,0,0]=4 3969 B9R1.40 OC1COCCC1(F)F 1P028JCA [0,1,0,1,0,0|1,0,0]=3 3970 B9R1.40 O[C@@H]1CCNC[C@@]1(C)O 1P01KAAY [0,1,0,1,0,0|2,0,0]=4 3971 B9R1.40 O[C@H]1CCNC[C@@]1(C)O 1P01KAAW [0,1,0,1,0,0|2,0,0]=4 3972 B9R1.40 O[C@H]1CNCC[C@@]1(C)O 1P028XCV [0,1,0,1,0,0|1,0,0]=3 3973 B9R1.41 BrC1COCC1N(C)C 1P01FINI [0,1,0,1,0,0|2,0,0]=4 3974 B9R1.41 Br[C@@H]1COC[C@H]1N(C)C 1P028S65 [0,1,0,1,0,0|2,0,0]=4 3975 B9R1.41 CC(C1CCCC1N)C 1P01DXA2 [0,1,0,1,0,0|2,0,0]=4 3976 B9R1.41 CC(C1CCCC1N)C 1P01FJWO [0,1,0,1,0,0|2,0,0]=4 3977 B9R1.41 CC([C@@H]1CCCN1C)O 1P00CGYG [0,1,0,1,0,0|2,0,0]=4 3978 B9R1.41 CC([C@@H]1CCC[C@H]1C)O 1P028UII [0,1,0,1,0,0|1,0,0]=3 3979 B9R1.41 CC([C@@H]1CCC[C@H]1N)C 1P028JIR [0,1,0,1,0,0|2,0,0]=4 3980 B9R1.41 CC1CCCC1C(=O)O 1P00DC0Z [0,1,0,1,0,0|1,0,1]=4 3981 B9R1.41 CC1CCNC1C(=O)O 1P01ACYG [0,1,0,1,0,0|1,0,1]=4 3982 B9R1.41 CC1CCSC1C(=O)O 1P01FJHO [0,1,0,1,0,0|0,1,1]=4 3983 B9R1.41 CN([C@@H]1CCC[C@@H]1O)C 1P02858V [0,1,0,1,0,0|2,0,0]=4 3984 B9R1.41 CN([C@@H]1CCC[C@H]1O)C 1P027OJG [0,1,0,1,0,0|2,0,0]=4 3985 B9R1.41 C[C@@H]([C@@H]1CCCN1C)O 1P01JWLL [0,1,0,1,0,0|2,0,0]=4 3986 B9R1.41 C[C@@H]1CCO[C@@H]1C(=O)O 1P01AV63 [0,1,0,1,0,0|0,0,1]=3 3987 B9R1.41 C[C@H]([C@@H]1CCC[C@@H]1O)N 1P028JKQ [0,1,0,1,0,0|1,0,0]=3 3988 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O 1P0085TL [0,1,0,1,0,0|1,0,1]=4 3989 B9R1.41 FC([C@@H]1COC[C@H]1N)F 1P028TDY [0,1,0,1,0,0|2,0,0]=4 3990 B9R1.41 FC1CCOC1C(=O)O 1P0286FO [0,1,0,1,0,0|1,0,1]=4 3991 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O 1P0289XM [0,1,0,1,0,0|1,0,1]=4 3992 B9R1.41 N[C@H]1COC[C@@H]1N(C)C 1P00FRA0 [0,1,0,1,0,0|2,0,0]=4 3993 B9R1.41 OC1COCC1C(=O)O 1P028X9V [0,1,0,1,0,0|1,0,1]=4 3994 B9R1.41 O[C@@H]1CNC[C@@H]1N(C)C 1P019FMO [0,1,0,1,0,0|2,0,0]=4 3995 B9R1.41 O[C@@H]1CNC[C@H]1N(C)C 1P00J399 [0,1,0,1,0,0|2,0,0]=4 3996 B9R1.46 C[C@@H]1C[C@H]1CCC(=O)O 1P02888H [0,1,0,1,0,0|1,0,1]=4 3997 B9R1.67 CC1CCN1CC(=O)O 1P01ALIX [0,1,0,1,0,0|1,0,1]=4 3998 B9R1.77 BrCCOC1CC1(F)F 1P01B5D9 [0,1,0,1,0,0|2,0,0]=4 3999 B9R1.77 NCCOC1CC1(F)F 1P028BPV [0,1,0,1,0,0|2,0,0]=4 4000 B9R1.77 OCCCC1CC1(C)C 1P01C9RX [0,1,0,1,0,0|1,0,0]=3 4001 B9R1.84 CC(COC1CNC1)C 1P00AAXP [0,1,0,1,0,0|2,0,0]=4 4002 B9R1.84 CC(COC1CNC1)O 1P028OU4 [0,1,0,1,0,0|1,0,0]=3 4003 B9R1.84 C[C@@H](CNC1COC1)O 1P0283DU [0,1,0,1,0,0|2,0,0]=4 4004 B9R1.84 FC(CNC1CCC1)F 1P019ZU4 [0,1,0,1,0,0|2,0,0]=4 4005 B9R1.84 FC(COC1CNC1)F 1P019U7E [0,1,0,1,0,0|2,0,0]=4 4006 B9R1.84 OC(=O)CCC1CCC1 1P00D98Y [0,1,0,1,0,0|1,0,1]=4 4007 B9R1.84 OC(=O)CNC1CCC1 1P0284CG [0,1,0,1,0,0|1,0,1]=4 4008 B9R1.84 OC(=O)COC1CCC1 1P002EMZ [0,1,0,1,0,0|0,0,1]=3 4009 B9R1.84 OC(=O)COC1CNC1 1P01C6XS [0,1,0,1,0,0|1,0,1]=4 4010 B9R1.84 OC(=O)COC1CNC1 1P01C6XT [0,1,0,1,0,0|1,0,1]=4 4011 B9R1.85 CC(CCNC1CC1)C 1P00J2DQ [0,1,0,1,0,0|2,0,0]=4 4012 B9R1.85 CC(COCC1CC1)N 1P01C654 [0,1,0,1,0,0|1,0,0]=3 4013 B9R1.85 CC(COCC1CO1)C 1P00BY4S [0,1,0,1,0,0|2,0,0]=4 4014 B9R1.85 CC(OCCC1OC1)C 1P01BD8Z [0,1,0,1,0,0|2,0,0]=4 4015 B9R1.85 C[C@@H](CNCC1CC1)O 1P028WNB [0,1,0,1,0,0|1,0,0]=3 4016 B9R1.85 C[C@H](CNCC1CC1)O 1P0284OF [0,1,0,1,0,0|1,0,0]=3 4017 B9R1.85 FC(CNCC1CC1)F 1P019YY4 [0,1,0,1,0,0|2,0,0]=4 4018 B9R1.85 NC(=O)COCC1CC1 1P0291FX [0,1,0,1,0,0|0,0,2]=4 4019 B9R1.85 OC(=O)CCCC1CC1 1P01AL1K [0,1,0,1,0,0|1,0,1]=4 4020 B9R1.85 OC(=O)CNCC1CC1 1P00F21A [0,1,0,1,0,0|1,0,1]=4 4021 B9R1.85 OC(=O)CNCC1CC1 1P01AD98 [0,1,0,1,0,0|1,0,1]=4 4022 B9R1.85 OC(=O)COCC1CC1 1P00C2X4 [0,1,0,1,0,0|0,0,1]=3 4023 B9R1.85 OC(=O)CSCC1CC1 1P00J2CH [0,1,0,1,0,0|0,1,1]=4 4024 B9R1.86 CC[C@@H]1C[C@H]1CC(=O)O 1P0285MJ [0,1,0,1,0,0|1,0,1]=4 4025 B9R1.96 CCC1CCC1C(=O)O 1P01DXWD [0,1,0,1,0,0|1,0,1]=4 4026 B9R1.148 CC1(C)CCCCCN1 1P028AV8 [0,1,0,1,0,0|2,0,0]=4 4027 B9R1.148 CC1(C)CCCCNC1 1P01AGSC [0,1,0,1,0,0|2,0,0]=4 4028 B9R1.148 CC1(C)CCNCCC1 1P00ANO6 [0,1,0,1,0,0|2,0,0]=4 4029 B9R1.148 CC1(C)CCNCCC1 1P01ALGZ [0,1,0,1,0,0|2,0,0]=4 4030 B9R1.148 CC1(C)CCNCCO1 1P01FKV8 [0,1,0,1,0,0|1,0,0]=3 4031 B9R1.148 CC1(C)CCNCCS1 1P018HIQ [0,1,0,1,0,0|1,1,0]=4 4032 B9R1.148 CC1(C)CNCCCO1 1P009D9W [0,1,0,1,0,0|2,0,0]=4 4033 B9R1.148 CC1(C)CNCCOC1 1P01FKVB [0,1,0,1,0,0|2,0,0]=4 4034 B9R1.148 CC1(C)COCCCN1 1P028NL3 [0,1,0,1,0,0|2,0,0]=4 4035 B9R1.148 CC1(C)NCCOCC1 1P028N9F [0,1,0,1,0,0|1,0,0]=3 4036 B9R1.148 CC1(F)CCCCNC1 1P01C1QJ [0,1,0,1,0,0|2,0,0]=4 4037 B9R1.148 CC1(F)CNCCOC1 1P01AUWV [0,1,0,1,0,0|2,0,0]=4 4038 B9R1.148 CC1(N)CCCCCC1 1P005VEE [0,1,0,1,0,0|2,0,0]=4 4039 B9R1.148 CC1(N)CCCCCC1 1P00J25J [0,1,0,1,0,0|2,0,0]=4 4040 B9R1.148 CC1(N)CCCCNC1 1P023Q49 [0,1,0,1,0,0|2,0,0]=4 4041 B9R1.148 CC1(O)CCCCCC1 1P003I5P [0,1,0,1,0,0|1,0,0]=3 4042 B9R1.148 CC1(O)CCCCNC1 1P00I1OO [0,1,0,1,0,0|1,0,0]=3 4043 B9R1.148 CC1(O)CCCCNC1 1P01JUVN [0,1,0,1,0,0|1,0,0]=3 4044 B9R1.148 CC1(O)CCNCCC1 1P00FGYJ [0,1,0,1,0,0|2,0,0]=4 4045 B9R1.148 CC1(O)CCNCCC1 1P00H3JP [0,1,0,1,0,0|2,0,0]=4 4046 B9R1.148 CC1(O)CCOCCC1 1P01A09E [0,1,0,1,0,0|1,0,0]=3 4047 B9R1.148 CC1(O)CNCCNC1 1P028JFY [0,1,0,1,0,0|2,0,0]=4 4048 B9R1.148 CC1(O)CNCCOC1 1P00I1P4 [0,1,0,1,0,0|1,0,0]=3 4049 B9R1.148 FC1(F)CCCCNC1 1P00HHHD [0,1,0,1,0,0|2,0,0]=4 4050 B9R1.148 FC1(F)CCCCNC1 1P0282IF [0,1,0,1,0,0|2,0,0]=4 4051 B9R1.148 FC1(F)CNCCOC1 1P00AAV3 [0,1,0,1,0,0|2,0,0]=4 4052 B9R1.148 FC1(F)CNCCOC1 1P00HTOB [0,1,0,1,0,0|2,0,0]=4 4053 B9R2.24 BrC1C2CCC1CC2 1P001129 [0,0,0,2,0,0|2,0,0]=4 4054 B9R2.24 NC1C2CCC1CC2 1P027URH [0,0,0,2,0,0|2,0,0]=4 4055 B9R2.24 O[C@@H]1[C@H]2CN[C@@H]1CO2 1P02876F [0,0,0,2,0,0|1,0,0]=3 4056 B9R2.24 O[C@H]1[C@@H]2CN[C@H]1CO2 1P01FI8D [0,0,0,2,0,0|1,0,0]=3 4057 B9R2.47 BrCC1CC2C(C1)C2 1P01C4L3 [0,0,0,2,0,0|2,0,0]=4 4058 B9R2.47 NCC1CC2C(C1)C2 1P01B2F8 [0,0,0,2,0,0|2,0,0]=4 4059 B9R2.47 NCC1CC2C(C1)C2 1P01B2F9 [0,0,0,2,0,0|2,0,0]=4 4060 B9R2.47 OCC1CC2C(C1)C2 1P00H4XV [0,0,0,2,0,0|1,0,0]=3 4061 B9R2.47 OC[C@@H]1C[C@H]2[C@@H](C1)C2 1P01B6QT [0,0,0,2,0,0|1,0,0]=3 4062 B9R2.47 SCC1CC2C(C1)C2 1P01B699 [0,0,0,2,0,0|1,1,0]=4 4063 B9R2.49 C1CC2CCC1NC2 1P00ELHF [0,0,0,2,0,0|2,0,0]=4 4064 B9R2.49 C1CC2CCC1ON2 1P01BRHX [0,0,0,2,0,0|2,0,0]=4 4065 B9R2.49 C1CC2CNC1CN2 1P000IU4 [0,0,0,2,0,0|2,0,0]=4 4066 B9R2.49 C1CC2NCC1OC2 1P003B74 [0,0,0,2,0,0|1,0,0]=3 4067 B9R2.49 C1CC2NCC1OC2 1P00IL5X [0,0,0,2,0,0|1,0,0]=3 4068 B9R2.49 C1C[C@@H]2NC[C@H]1OC2 1P01X0Y9 [0,0,0,2,0,0|1,0,0]=3 4069 B9R2.49 C1C[C@H]2NC[C@@H]1OC2 1P01UOP6 [0,0,0,2,0,0|1,0,0]=3 4070 B9R2.50 C1CC[C@H]2[C@@H](C1)NC2 1P00M2NN [0,0,0,2,0,0|2,0,0]=4 4071 B9R2.50 C1CN[C@@H]2[C@@H](N1)CC2 1P028WNH [0,0,0,2,0,0|2,0,0]=4 4072 B9R2.50 C1CN[C@@H]2[C@H](C1)CC2 1P028IL9 [0,0,0,2,0,0|2,0,0]=4 4073 B9R2.50 C1CN[C@H]2[C@@H](N1)CC2 1P01XAJF [0,0,0,2,0,0|2,0,0]=4 4074 B9R2.50 C1CSC2C(N1)CC2 1P01B6RF [0,0,0,2,0,0|1,1,0]=4 4075 B9R2.50 C1NC[C@@H]2[C@H](C1)CC2 1P028SCR [0,0,0,2,0,0|2,0,0]=4 4076 B9R2.50 C1NC[C@@H]2[C@H](C1)CO2 1P01B6XW [0,0,0,2,0,0|1,0,0]=3 4077 B9R2.50 N1CCN2C(C1)CC2 1P00BI67 [0,0,0,2,0,0|2,0,0]=4 4078 B9R2.53 OC1C2CNCC1C2 1P001AB0 [0,0,0,2,0,0|2,0,0]=4 4079 B9R2.53 OC1C2CNCC1C2 1P019GQJ [0,0,0,2,0,0|2,0,0]=4 4080 B9R2.53 O[C@@H]1[C@@H]2CNC[C@H]1C2 1P01KJBT [0,0,0,2,0,0|2,0,0]=4 4081 B9R2.56 CCC12CNCC1C2 1P01EI6O [0,0,0,2,0,0|2,0,0]=4 4082 B9R2.56 CC[C@@]12CNC[C@@H]1C2 1P028ICL [0,0,0,2,0,0|2,0,0]=4 4083 B9R2.56 NCC12COCC1C2 1P01XAIF [0,0,0,2,0,0|2,0,0]=4 4084 B9R2.56 NC[C@]12COC[C@H]1C2 1P01XC9V [0,0,0,2,0,0|2,0,0]=4 4085 B9R2.56 OCC12CNCC1C2 1P00HX1G [0,0,0,2,0,0|2,0,0]=4 4086 B9R2.56 OCC12COCC1C2 1P01B68W [0,0,0,2,0,0|2,0,0]=4 4087 B9R2.56 OCC12NCCC1C2 1P028LD1 [0,0,0,2,0,0|1,0,0]=3 4088 B9R2.56 OC[C@@]12CNC[C@@H]1C2 1P0284I8 [0,0,0,2,0,0|2,0,0]=4 4089 B9R2.56 OC[C@@]12COC[C@@H]1C2 1P0204YG [0,0,0,2,0,0|2,0,0]=4 4090 B9R2.56 OC[C@]12CNC[C@H]1C2 1P00J2WD [0,0,0,2,0,0|2,0,0]=4 4091 B9R2.56 OC[C@]12CNC[C@H]1C2 1P02847F [0,0,0,2,0,0|2,0,0]=4 4092 B9R2.56 OC[C@]12COC[C@H]1C2 1P01XC2J [0,0,0,2,0,0|2,0,0]=4 4093 B9R2.56 OC[C@]12NCC[C@H]1C2 1P027WXJ [0,0,0,2,0,0|1,0,0]=3 4094 B9R2.60 NCC1CC2C1CC2 1P0288SW [0,0,0,2,0,0|2,0,0]=4 4095 B9R2.60 OCC1CC2C1CC2 1P027TTZ [0,0,0,2,0,0|1,0,0]=3 4096 B9R2.65 ClCC1C2C1CCC2 1P02889P [0,0,0,2,0,0|2,0,0]=4 4097 B9R2.65 NCC1C2C1CCC2 1P028KRZ [0,0,0,2,0,0|2,0,0]=4 4098 B9R2.65 OCC1C2C1CCC2 1P01BWGM [0,0,0,2,0,0|1,0,0]=3 4099 B9R2.65 OCC1C2C1CCO2 1P0204US [0,0,0,2,0,0|2,0,0]=4 4100 B9R2.65 OCC1C2C1CNC2 1P002XH6 [0,0,0,2,0,0|2,0,0]=4 4101 B9R2.65 OCC1C2C1COC2 1P00HW66 [0,0,0,2,0,0|2,0,0]=4 4102 B9R2.65 OCC1[C@@H]2[C@H]1CNC2 1P019GM6 [0,0,0,2,0,0|2,0,0]=4 4103 B9R2.65 OC[C@@H]1[C@@H]2[C@H]1CNC2 1P003ALU [0,0,0,2,0,0|2,0,0]=4 4104 B9R2.65 OC[C@@H]1[C@@H]2[C@H]1CNC2 1P00JQHF [0,0,0,2,0,0|2,0,0]=4 4105 B9R2.65 OC[C@@H]1[C@@H]2[C@H]1COC2 1P00HUOI [0,0,0,2,0,0|2,0,0]=4 4106 B9R2.65 SCC1C2C1CCC2 1P028B20 [0,0,0,2,0,0|1,1,0]=4 4107 B9R2.68 C1CC2CCC(C1)N2 1P003760 [0,0,0,2,0,0|2,0,0]=4 4108 B9R2.68 C1CC2CCC(C1)N2 1P00BI7R [0,0,0,2,0,0|2,0,0]=4 4109 B9R2.68 C1CC2CCC(N1)C2 1P01QMBT [0,0,0,2,0,0|2,0,0]=4 4110 B9R2.68 C1CC2NCC(O1)C2 1P0291F3 [0,0,0,2,0,0|1,0,0]=3 4111 B9R2.68 C1C[C@H]2NC[C@@H](C1)C2 1P00BKCQ [0,0,0,2,0,0|2,0,0]=4 4112 B9R2.68 C1NC2CCN(C1)C2 1P00E1LX [0,0,0,2,0,0|2,0,0]=4 4113 B9R2.68 C1NC2COC(C1)C2 1P01FK89 [0,0,0,2,0,0|1,0,0]=3 4114 B9R2.68 C1N[C@@H]2CCN(C1)C2 1P00IE81 [0,0,0,2,0,0|2,0,0]=4 4115 B9R2.68 C1N[C@H]2CCN(C1)C2 1P019GR4 [0,0,0,2,0,0|2,0,0]=4 4116 B9R2.68 N1CC2CCC(C1)C2 1P00J31V [0,0,0,2,0,0|2,0,0]=4 4117 B9R2.68 N1CC2CCC(C1)N2 1P00H1EK [0,0,0,2,0,0|2,0,0]=4 4118 B9R2.68 N1CC2CCC(C1)O2 1P0036F0 [0,0,0,2,0,0|1,0,0]=3 4119 B9R2.68 N1CC2CCC(C1)O2 1P003NZL [0,0,0,2,0,0|1,0,0]=3 4120 B9R2.68 N1CC2OCC(C1)C2 1P01A771 [0,0,0,2,0,0|2,0,0]=4 4121 B9R2.68 N1C[C@@H]2CC[C@H](C1)C2 1P00J3M2 [0,0,0,2,0,0|2,0,0]=4 4122 B9R2.68 O1CC2CCC(C1)N2 1P00348I [0,0,0,2,0,0|1,0,0]=3 4123 B9R2.68 O1CC2CCC(C1)N2 1P00BGKX [0,0,0,2,0,0|1,0,0]=3 4124 B9R2.68 O1CC2NCC(C1)C2 1P028CFF [0,0,0,2,0,0|2,0,0]=4 4125 B9R2.68 S1CC2CCC(C1)N2 1P00ILAK [0,0,0,2,0,0|1,1,0]=4 4126 B9R2.70 OC[C@@H]1CC[C@H]2[C@@H]1C2 1P027W12 [0,0,0,2,0,0|1,0,0]=3 4127 B9R2.70 OC[C@H]1NC[C@H]2[C@@H]1C2 1P0023NO [0,0,0,2,0,0|1,0,0]=3 4128 B9R2.123 BrC1C2C1CCCO2 1P01BCO8 [0,0,0,2,0,0|1,0,0]=3 4129 B9R2.123 Br[C@@H]1[C@@H]2[C@H]1CCCC2 1P01DVG6 [0,0,0,2,0,0|2,0,0]=4 4130 B9R2.123 Br[C@H]1[C@H]2[C@@H]1CCCN2 1P028L2B [0,0,0,2,0,0|2,0,0]=4 4131 B9R2.123 NC1C2C1CCCC2 1P019UBT [0,0,0,2,0,0|2,0,0]=4 4132 B9R2.123 NC1C2C1CCCC2 1P01AF2T [0,0,0,2,0,0|2,0,0]=4 4133 B9R2.123 NC1C2C1CCOC2 1P01FJXI [0,0,0,2,0,0|2,0,0]=4 4134 B9R2.123 N[C@@H]1[C@@H]2[C@H]1CCCC2 1P01EIIG [0,0,0,2,0,0|2,0,0]=4 4135 B9R2.123 N[C@H]1[C@H]2[C@@H]1CCCO2 1P0289T8 [0,0,0,2,0,0|1,0,0]=3 4136 B9R2.174 C1CCC2(CC1)CN2 1P00774O [0,0,0,2,0,0|2,0,0]=4 4137 B9R2.174 C1CCC2(CC1)CO2 1P00AMGM [0,0,0,2,0,0|1,0,0]=3 4138 B9R2.174 C1CCC2(CN1)CC2 1P00I0FE [0,0,0,2,0,0|2,0,0]=4 4139 B9R2.174 C1CCC2(CO1)CO2 1P01B5S9 [0,0,0,2,0,0|2,0,0]=4 4140 B9R2.174 C1CCC2(NC1)CC2 1P000UJP [0,0,0,2,0,0|2,0,0]=4 4141 B9R2.174 C1CNC2(CN1)CC2 1P001AB3 [0,0,0,2,0,0|2,0,0]=4 4142 B9R2.174 C1CNC2(CN1)CC2 1P001L1A [0,0,0,2,0,0|2,0,0]=4 4143 B9R2.174 C1CNC2(CO1)CC2 1P0074UU [0,0,0,2,0,0|1,0,0]=3 4144 B9R2.174 C1CNC2(CO1)CC2 1P00BJN2 [0,0,0,2,0,0|1,0,0]=3 4145 B9R2.174 C1CNC2(CS1)CC2 1P0290P6 [0,0,0,2,0,0|1,1,0]=4 4146 B9R2.174 C1COC2(CN1)CC2 1P003AEH [0,0,0,2,0,0|1,0,0]=3 4147 B9R2.174 O1CCC2(CC1)CO2 1P007TCZ [0,0,0,2,0,0|2,0,0]=4 4148 B9R2.174 S1CCC2(CC1)CO2 1P00774E [0,0,0,2,0,0|2,0,0]=4 4149 B9R2.6 CC12CCNCC1C2 1P00IL7Z [0,0,0,2,0,0|2,0,0]=4 4150 B9R2.6 CC12NCCCC1C2 1P027U96 [0,0,0,2,0,0|2,0,0]=4 4151 B9R2.6 FC12CNCCC1C2 1P028EI3 [0,0,0,2,0,0|2,0,0]=4 4152 B9R2.6 NC12CCCCC1C2 1P00ILN6 [0,0,0,2,0,0|2,0,0]=4 4153 B9R2.6 N[C@@]12CCOC[C@@H]1C2 1P0288O9 [0,0,0,2,0,0|2,0,0]=4 4154 B9R2.6 OC12CNCCC1C2 1P01A0YW [0,0,0,2,0,0|1,0,0]=3 4155 B9R2.19 NC1CCC2CC1C2 1P01FJXO [0,0,0,2,0,0|2,0,0]=4 4156 B9R2.19 OC1CNC2CC1C2 1P027VJ8 [0,0,0,2,0,0|1,0,0]=3 4157 B9R2.39 Br[C@H]1C[C@H]2C[C@@H]1CC2 1P003R11 [0,0,0,2,0,0|2,0,0]=4 4158 B9R2.39 C[C@@H]1C[C@@H]2C[C@H]1CN2 1P027Z14 [0,0,0,2,0,0|2,0,0]=4 4159 B9R2.39 NC1CC2CC1CC2 1P001IOX [0,0,0,2,0,0|2,0,0]=4 4160 B9R2.39 NC1CC2CC1CC2 1P0050EX [0,0,0,2,0,0|2,0,0]=4 4161 B9R2.39 NC1CC2OC1CC2 1P00HSYM [0,0,0,2,0,0|2,0,0]=4 4162 B9R2.39 NC1CC2OC1CC2 1P020AL1 [0,0,0,2,0,0|2,0,0]=4 4163 B9R2.39 N[C@@H]1C[C@@H]2C[C@H]1CC2 1P003BXR [0,0,0,2,0,0|2,0,0]=4 4164 B9R2.39 N[C@@H]1C[C@@H]2C[C@H]1CO2 1P0285NP [0,0,0,2,0,0|2,0,0]=4 4165 B9R2.39 N[C@@H]1C[C@@H]2O[C@H]1CC2 1P0289Y5 [0,0,0,2,0,0|2,0,0]=4 4166 B9R2.39 N[C@@H]1C[C@H]2C[C@@H]1CC2 1P00ENQX [0,0,0,2,0,0|2,0,0]=4 4167 B9R2.39 N[C@@H]1C[C@H]2O[C@@H]1CC2 1P01EI6G [0,0,0,2,0,0|2,0,0]=4 4168 B9R2.39 N[C@@H]1C[C@H]2O[C@@H]1CC2 1P0292LF [0,0,0,2,0,0|2,0,0]=4 4169 B9R2.39 N[C@H]1C[C@@H]2C[C@H]1CC2 1P00J3D2 [0,0,0,2,0,0|2,0,0]=4 4170 B9R2.39 N[C@H]1C[C@H]2O[C@@H]1CC2 1P01DTQS [0,0,0,2,0,0|2,0,0]=4 4171 B9R2.39 OC1CC2CC1CC2 1P001UBO [0,0,0,2,0,0|1,0,0]=3 4172 B9R2.39 OC1CC2CC1CN2 1P00267R [0,0,0,2,0,0|2,0,0]=4 4173 B9R2.39 OC1CC2CC1CO2 1P0292UW [0,0,0,2,0,0|2,0,0]=4 4174 B9R2.39 OC1CC2CC1NC2 1P002DF8 [0,0,0,2,0,0|2,0,0]=4 4175 B9R2.39 OC1CN2CC1CC2 1P019TGP [0,0,0,2,0,0|1,0,0]=3 4176 B9R2.39 O[C@@H]1C[C@@H]2C[C@H]1CN2 1P01XAIE [0,0,0,2,0,0|2,0,0]=4 4177 B9R2.39 O[C@@H]1C[C@@H]2C[C@H]1OC2 1P0282HQ [0,0,0,2,0,0|2,0,0]=4 4178 B9R2.39 O[C@@H]1C[C@H]2N[C@@H]1CC2 1P0026TT [0,0,0,2,0,0|2,0,0]=4 4179 B9R2.39 O[C@@H]1C[C@H]2O[C@@H]1CC2 1P01EN8K [0,0,0,2,0,0|2,0,0]=4 4180 B9R2.39 O[C@H]1C[C@@H]2C[C@H]1CN2 1P01XAI1 [0,0,0,2,0,0|2,0,0]=4 4181 B9R2.39 O[C@H]1C[C@H]2C[C@@H]1CC2 1P003R19 [0,0,0,2,0,0|1,0,0]=3 4182 B9R2.39 O[C@H]1C[C@H]2C[C@@H]1NC2 1P01JVKU [0,0,0,2,0,0|2,0,0]=4 4183 B9R2.39 O[C@H]1C[C@H]2N[C@@H]1CC2 1P00230T [0,0,0,2,0,0|2,0,0]=4 4184 B9R2.39 S[C@@H]1C[C@@H]2C[C@H]1CC2 1P028U6O [0,0,0,2,0,0|1,1,0]=4 4185 B9R2.109 NC1CCCC2C1C2 1P01A2WU [0,0,0,2,0,0|2,0,0]=4 4186 B9R2.109 O=C1CCCC2C1O2 1P005RRW [0,0,0,2,0,0|0,0,2]=4 4187 B9R2.109 O=C1COCC2C1C2 1P028T0V [0,0,0,2,0,0|0,0,2]=4 4188 B9R2.109 OC1CCNC2C1C2 1P0206VP [0,0,0,2,0,0|2,0,0]=4 4189 B9R2.109 O[C@@H]1COC[C@H]2[C@@H]1C2 1P027XLG [0,0,0,2,0,0|0,0,0]=2 4190 B9R2.1 NC1CC12CCCC2 1P018SML [0,0,0,2,0,0|2,0,0]=4 4191 B9R2.2 C1CCC(C1)C2CO2 1P008ATO [0,0,0,2,0,0|1,0,0]=3 4192 B9R2.2 C1CNC(C1)C2CC2 1P00DK8G [0,0,0,2,0,0|2,0,0]=4 4193 B9R2.2 C1CN[C@H](C1)C2CC2 1P01K4GS [0,0,0,2,0,0|2,0,0]=4 4194 B9R2.2 C1NCC(O1)C2CC2 1P02908Y [0,0,0,2,0,0|2,0,0]=4 4195 B9R2.2 C1OCC(C1)C2CO2 1P00J39R [0,0,0,2,0,0|2,0,0]=4 4196 B9R2.3 C1CC2C(C1)CNC2 1P003JEY [0,0,0,2,0,0|2,0,0]=4 4197 B9R2.3 C1CC2C(C1)CNC2 1P00EBYO [0,0,0,2,0,0|2,0,0]=4 4198 B9R2.3 C1C[C@@H]2[C@@H](C1)CNC2 1P01JUUU [0,0,0,2,0,0|2,0,0]=4 4199 B9R2.3 C1C[C@@H]2[C@H](C1)CCN2 1P002943 [0,0,0,2,0,0|2,0,0]=4 4200 B9R2.3 C1C[C@@H]2[C@H](C1)CCN2 1P01PVGA [0,0,0,2,0,0|2,0,0]=4 4201 B9R2.3 C1C[C@@H]2[C@H](C1)CNC2 1P001ET8 [0,0,0,2,0,0|2,0,0]=4 4202 B9R2.3 C1C[C@@H]2[C@H](C1)CNC2 1P00IHQT [0,0,0,2,0,0|2,0,0]=4 4203 B9R2.3 C1OC2N(C1)CCO2 1P01GJCC [0,0,0,2,0,0|2,0,0]=4 4204 B9R2.3 N1CC2C(C1)CCO2 1P00HGPR [0,0,0,2,0,0|1,0,0]=3 4205 B9R2.3 N1CC2C(C1)COC2 1P003AKW [0,0,0,2,0,0|2,0,0]=4 4206 B9R2.3 N1CC2C(C1)COC2 1P00ED86 [0,0,0,2,0,0|2,0,0]=4 4207 B9R2.3 N1C[C@@H]2[C@H](C1)CCO2 1P019FNH [0,0,0,2,0,0|1,0,0]=3 4208 B9R2.3 N1C[C@@H]2[C@H](C1)CCO2 1P01C1K3 [0,0,0,2,0,0|1,0,0]=3 4209 B9R2.3 N1C[C@@H]2[C@H](C1)COC2 1P00385O [0,0,0,2,0,0|2,0,0]=4 4210 B9R2.3 N1C[C@@H]2[C@H](C1)COC2 1P00ED80 [0,0,0,2,0,0|2,0,0]=4 4211 B9R2.3 N1C[C@@H]2[C@H](C1)OCO2 1P00FKKV [0,0,0,2,0,0|2,0,0]=4 4212 B9R2.3 N1C[C@H]2[C@H](C1)COC2 1P00ILQV [0,0,0,2,0,0|2,0,0]=4 4213 B9R2.3 N1C[C@H]2[C@H](C1)COC2 1P01JUWW [0,0,0,2,0,0|2,0,0]=4 4214 B9R2.3 O1C[C@@H]2[C@@H](C1)CCN2 1P028N1R [0,0,0,2,0,0|1,0,0]=3 4215 B9R2.7 CC1CC2C1CNC2 1P028W5X [0,0,0,2,0,0|2,0,0]=4 4216 B9R2.7 NC1CC2C1CCC2 1P01EIIF [0,0,0,2,0,0|2,0,0]=4 4217 B9R2.7 N[C@@H]1C[C@@H]2[C@H]1CCO2 1P01EI5P [0,0,0,2,0,0|2,0,0]=4 4218 B9R2.7 N[C@H]1C[C@@H]2[C@H]1CCO2 1P00J3AR [0,0,0,2,0,0|2,0,0]=4 4219 B9R2.7 O=C1C[C@H]2[C@@H]1OCC2 1P00J3A0 [0,0,0,2,0,0|0,0,2]=4 4220 B9R2.7 OC1CC2C1CCC2 1P027W1R [0,0,0,2,0,0|1,0,0]=3 4221 B9R2.7 OC1CC2C1CNC2 1P01B6Y3 [0,0,0,2,0,0|2,0,0]=4 4222 B9R2.7 O[C@@H]1C[C@@H]2[C@H]1CCN2 1P00J3QG [0,0,0,2,0,0|2,0,0]=4 4223 B9R2.7 O[C@@H]1C[C@H]2[C@@H]1CCC2 1P0280AG [0,0,0,2,0,0|1,0,0]=3 4224 B9R2.7 O[C@H]1C[C@@H]2[C@H]1CCN2 1P00J3QE [0,0,0,2,0,0|2,0,0]=4 4225 B9R2.7 O[C@H]1C[C@@H]2[C@H]1CNC2 1P00J3QR [0,0,0,2,0,0|2,0,0]=4 4226 B9R2.173 C1CC2(C1)C=CCO2 1P028I28 [0,0,0,2,0,0|1,0,1]=4 4227 B9R2.173 C1CC2(C1)CCCN2 1P003APB [0,0,0,2,0,0|2,0,0]=4 4228 B9R2.173 C1CC2(C1)CCCN2 1P01BF2W [0,0,0,2,0,0|2,0,0]=4 4229 B9R2.173 C1CC2(C1)CCCN2 1P01E7YK [0,0,0,2,0,0|2,0,0]=4 4230 B9R2.173 C1CC2(C1)CCCN2 1P01JPDD [0,0,0,2,0,0|2,0,0]=4 4231 B9R2.173 C1CC2(C1)NCCS2 1P01BKVW [0,0,0,2,0,0|1,1,0]=4 4232 B9R2.173 C1CCC2(C1)CCN2 1P00EKFU [0,0,0,2,0,0|2,0,0]=4 4233 B9R2.173 C1COC2(C1)CNC2 1P009Z49 [0,0,0,2,0,0|2,0,0]=4 4234 B9R2.173 C1COC2(C1)CNC2 1P00IL7L [0,0,0,2,0,0|2,0,0]=4 4235 B9R2.173 N1CC2(C1)OCCO2 1P01JV9E [0,0,0,2,0,0|1,0,0]=3 4236 B9R2.173 N1CCC2(C1)CCO2 1P000VK3 [0,0,0,2,0,0|2,0,0]=4 4237 B9R2.173 N1CCC2(C1)CCO2 1P01DUT4 [0,0,0,2,0,0|2,0,0]=4 4238 B9R2.173 N1CCC2(C1)CCO2 1P01FKW7 [0,0,0,2,0,0|2,0,0]=4 4239 B9R2.11 C[C@@H]1C[C@H]1[C@@H]2C[C@H]2N 1P0292D9 [0,0,0,2,0,0|2,0,0]=4 4240 B9R2.21 NC1CCC2C(C1)C2 1P01C5FS [0,0,0,2,0,0|2,0,0]=4 4241 B9R2.21 NC1CCC2C(C1)C2 1P01C5FT [0,0,0,2,0,0|2,0,0]=4 4242 B9R2.52 C1CCC2C(C=C1)O2 1P01IXH2 [0,0,0,2,0,0|1,0,1]=4 4243 B9R2.52 C1CCC2C(CC1)O2 1P002WAF [0,0,0,2,0,0|1,0,0]=3 4244 B9R2.52 C1CCC2C(NC1)C2 1P028VWX [0,0,0,2,0,0|2,0,0]=4 4245 B9R2.20 NC1CC[C@H]2[C@@H]1CC2 1P028WZP [0,0,0,2,0,0|2,0,0]=4 4246 B9R2.51 C1CCC2CC(C1)N2 1P027TRG [0,0,0,2,0,0|2,0,0]=4 4247 B9R2.51 C1COC2CC(N1)C2 1P027URP [0,0,0,2,0,0|1,0,0]=3 4248 B9R2.59 NCC1CC2CC1C2 1P028KL6 [0,0,0,2,0,0|2,0,0]=4 4249 B9R2.59 OCC1CC2CC1C2 1P028INT [0,0,0,2,0,0|1,0,0]=3 4250 B9R2.91 C1CC(C1)C2CCN2 1P01EJHV [0,0,0,2,0,0|2,0,0]=4 4251 B9R2.140 CC1CNC12CCC2 1P0281YL [0,0,0,2,0,0|2,0,0]=4 4252 B9R2.140 NC1CCC12CCC2 1P00ILSH [0,0,0,2,0,0|2,0,0]=4 4253 B9R2.140 O=C1COC12CCC2 1P01XACF [0,0,0,2,0,0|0,0,2]=4 4254 B9R2.140 OC1CCC12CCC2 1P01C4G2 [0,0,0,2,0,0|1,0,0]=3 4255 B9R2.140 OC1CCC12CNC2 1P01KM6F [0,0,0,2,0,0|2,0,0]=4 4256 B9R2.140 OC1COC12CCC2 1P01XAIT [0,0,0,2,0,0|0,0,0]=2 4257 B9R2.153 NCC1CC12CCC2 1P01DW1N [0,0,0,2,0,0|2,0,0]=4 4258 B9R2.153 OCC1CC12CCC2 1P01BICP [0,0,0,2,0,0|1,0,0]=3 4259 B9R2.153 OCC1CC12CNC2 1P0281WA [0,0,0,2,0,0|2,0,0]=4 4260 B9R2.153 SCC1CC12CCC2 1P028DGO [0,0,0,2,0,0|1,1,0]=4 4261 B9R2.157 C1CC(C1)NC2CC2 1P01DTC1 [0,0,0,2,0,0|2,0,0]=4 4262 B9R2.157 C1CC(N1)CC2CC2 1P02939B [0,0,0,2,0,0|2,0,0]=4 4263 B9R2.157 N1CC(C1)OC2CC2 1P023O6R [0,0,0,2,0,0|2,0,0]=4 4264 B9R2.157 N1CC(C1)OC2CC2 1P028WLB [0,0,0,2,0,0|2,0,0]=4 4265 B9R2.5 FC1CNCC12CC2 1P01JL56 [0,0,0,2,0,0|2,0,0]=4 4266 B9R2.5 F[C@@H]1CCC[C@@]12CO2 1P028LK1 [0,0,0,2,0,0|2,0,0]=4 4267 B9R2.5 NC1CCCC12CC2 1P01C0H8 [0,0,0,2,0,0|2,0,0]=4 4268 B9R2.5 OC1CCCC12CC2 1P020506 [0,0,0,2,0,0|1,0,0]=3 4269 B9R2.5 OC1CNCC12CC2 1P009LLS [0,0,0,2,0,0|1,0,0]=3 4270 B9R2.5 OC1COCC12OC2 1P028RI1 [0,0,0,2,0,0|1,0,0]=3 4271 B9R2.5 O[C@@H]1CCCC12CC2 1P023ND3 [0,0,0,2,0,0|1,0,0]=3 4272 B9R2.5 O[C@H]1CCCC12CC2 1P028T3H [0,0,0,2,0,0|1,0,0]=3 4273 B9R2.5 O[C@H]1CNCC12CC2 1P027PZU [0,0,0,2,0,0|1,0,0]=3 4274 B9R2.14 CC12CNCC1CC2 1P028CTI [0,0,0,2,0,0|2,0,0]=4 4275 B9R2.14 C[C@@]12NCC[C@@H]1CC2 1P027ZMS [0,0,0,2,0,0|2,0,0]=4 4276 B9R2.14 O[C@@]12CNC[C@@H]1CC2 1P028T43 [0,0,0,2,0,0|1,0,0]=3 4277 B9R2.48 BrCC1CCC12CC2 1P027X0H [0,0,0,2,0,0|2,0,0]=4 4278 B9R2.48 OCC1CCC12CC2 1P027WYJ [0,0,0,2,0,0|1,0,0]=3 4279 B9R2.33 NC1C[C@@H]2[C@H](C1)CC2 1P028K61 [0,0,0,2,0,0|2,0,0]=4 4280 B9R2.36 NC1CCC1C2CC2 1P01B81Y [0,0,0,2,0,0|2,0,0]=4 4281 B9R2.36 OC1CCC1C2CC2 1P00I0I4 [0,0,0,2,0,0|1,0,0]=3 4282 B9R2.69 C(C1OC1)CC2OC2 1P002HSU [0,0,0,2,0,0|2,0,0]=4 4283 B9R2.69 C1CC1CCC2OC2 1P028JW3 [0,0,0,2,0,0|1,0,0]=3 4284 B9R2.69 N(C1CC1)CC2CC2 1P003SUX [0,0,0,2,0,0|2,0,0]=4 4285 B9R2.69 N(C1CC1)CC2CC2 1P01FKWD [0,0,0,2,0,0|2,0,0]=4