0 B6R1.1 C1=CCC=CC1 102018 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.1 C1=CCCC=C1 123000 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.1 C1=CCCCC1 094563 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.1 C1=COCCC1 130700 [0,0,0,0,0,0|1,0,2]=3 4 B6R1.1 C1=NCCCN1 099043 [0,0,0,0,0,0|2,0,1]=3 5 B6R1.1 C1CCCCC1 046756 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.1 C1CCCCC1 102944 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.1 C1CCOCC1 005006 [0,0,0,0,0,0|1,0,0]=1 8 B6R1.1 C1CNCCN1 097595 [0,0,0,0,0,0|1,0,0]=1 9 B6R1.1 C1CNCCN1 102045 [0,0,0,0,0,0|1,0,0]=1 10 B6R1.1 C1COCCN1 043315 [0,0,0,0,0,0|0,0,0]=0 11 B6R1.1 C1COCCN1 101454 [0,0,0,0,0,0|0,0,0]=0 12 B6R1.1 C1COCCO1 044719 [0,0,0,0,0,0|1,0,0]=1 13 B6R1.1 C1COCCO1 102493 [0,0,0,0,0,0|1,0,0]=1 14 B6R1.1 C1CSCCN1 019453 [0,0,0,0,0,0|0,1,0]=1 15 B6R1.1 C1CSCCO1 001450 [0,0,0,0,0,0|1,0,0]=1 16 B6R1.1 C1CSCSC1 214605 [0,0,0,0,0,0|2,1,0]=3 17 B6R1.1 C1OCOCO1 043874 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.3 BN1CCOCC1 102048 [0,1,0,0,0,0|0,0,0]=1 19 B7R1.3 BrC1C=CCCC1 091672 [0,1,0,0,0,0|2,0,1]=4 20 B7R1.3 BrC1CCCCC1 097678 [0,1,0,0,0,0|2,0,0]=3 21 B7R1.3 BrC1CCNCC1 024234 [0,1,0,0,0,0|1,0,0]=2 22 B7R1.3 BrC1CCOCC1 077342 [0,1,0,0,0,0|1,0,0]=2 23 B7R1.3 C=C1CCCCC1 238843 [0,1,0,0,0,0|2,0,0]=3 24 B7R1.3 CC1=CCCCC1 098887 [0,1,0,0,0,0|2,0,1]=4 25 B7R1.3 CC1CCCCC1 013924 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.3 CC1CCCCN1 098820 [0,1,0,0,0,0|1,0,0]=2 27 B7R1.3 CC1CCCNC1 095841 [0,1,0,0,0,0|1,0,0]=2 28 B7R1.3 CC1CCNCC1 005025 [0,1,0,0,0,0|1,0,0]=2 29 B7R1.3 CC1CCNCC1 106043 [0,1,0,0,0,0|1,0,0]=2 30 B7R1.3 CC1CNCCN1 023229 [0,1,0,0,0,0|1,0,0]=2 31 B7R1.3 CC1CNCCO1 075555 [0,1,0,0,0,0|0,0,0]=1 32 B7R1.3 CC1COCCN1 093767 [0,1,0,0,0,0|0,0,0]=1 33 B7R1.3 CC1SCCCS1 069036 [0,1,0,0,0,0|2,1,0]=4 34 B7R1.3 CN1CCCCC1 098869 [0,1,0,0,0,0|1,0,0]=2 35 B7R1.3 CN1CCNCC1 022134 [0,1,0,0,0,0|1,0,0]=2 36 B7R1.3 CN1CCNCC1 104603 [0,1,0,0,0,0|1,0,0]=2 37 B7R1.3 CN1CCNCC1 320129 [0,1,0,0,0,0|1,0,0]=2 38 B7R1.3 CN1CCOCC1 043444 [0,1,0,0,0,0|0,0,0]=1 39 B7R1.3 CN1CCOCC1 104657 [0,1,0,0,0,0|0,0,0]=1 40 B7R1.3 C[C@@H]1CNCCN1 011823 [0,1,0,0,0,0|1,0,0]=2 41 B7R1.3 C[C@H]1CNCCN1 011818 [0,1,0,0,0,0|1,0,0]=2 42 B7R1.3 C[C@H]1CNCCO1 076728 [0,1,0,0,0,0|0,0,0]=1 43 B7R1.3 ClC1CCCCC1 494120 [0,1,0,0,0,0|2,0,0]=3 44 B7R1.3 ClC1CCNCC1 040191 [0,1,0,0,0,0|1,0,0]=2 45 B7R1.3 FC1CCCNC1 009738 [0,1,0,0,0,0|1,0,0]=2 46 B7R1.3 FC1CCNCC1 009739 [0,1,0,0,0,0|1,0,0]=2 47 B7R1.3 IC1CCCCC1 095024 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.3 IC1CCOCC1 067477 [0,1,0,0,0,0|1,0,0]=2 49 B7R1.3 N=C1CCCCN1 437867 [0,1,0,0,0,0|1,0,1]=3 50 B7R1.3 NC1CCCCC1 005016 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.3 NC1CCCCC1 094537 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.3 NC1CCCCC1 123312 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.3 NC1CCCNC1 064988 [0,1,0,0,0,0|1,0,0]=2 54 B7R1.3 NC1CCCOC1 041901 [0,1,0,0,0,0|1,0,0]=2 55 B7R1.3 NC1CCNCC1 011407 [0,1,0,0,0,0|1,0,0]=2 56 B7R1.3 NC1CCOCC1 023514 [0,1,0,0,0,0|1,0,0]=2 57 B7R1.3 NC1CCOCC1 043887 [0,1,0,0,0,0|1,0,0]=2 58 B7R1.3 NN1CCCCC1 235886 [0,1,0,0,0,0|1,0,0]=2 59 B7R1.3 NN1CCOCC1 064992 [0,1,0,0,0,0|0,0,0]=1 60 B7R1.3 O=C1CCCCC1 046757 [0,1,0,0,0,0|2,0,0]=3 61 B7R1.3 O=C1CCCCC1 101607 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.3 O=C1CCCCN1 043484 [0,1,0,0,0,0|1,0,1]=3 63 B7R1.3 O=C1CCCCO1 448260 [0,1,0,0,0,0|1,0,1]=3 64 B7R1.3 O=C1CCCNC1 078172 [0,1,0,0,0,0|1,0,1]=3 65 B7R1.3 O=C1CCCOC1 070460 [0,1,0,0,0,0|1,0,1]=3 66 B7R1.3 O=C1CCNCC1 008861 [0,1,0,0,0,0|1,0,0]=2 67 B7R1.3 O=C1CCOCC1 036435 [0,1,0,0,0,0|1,0,0]=2 68 B7R1.3 O=C1CCSCC1 069034 [0,1,0,0,0,0|1,1,0]=3 69 B7R1.3 O=C1CNCCN1 031681 [0,1,0,0,0,0|1,0,1]=3 70 B7R1.3 O=C1COCCN1 038232 [0,1,0,0,0,0|0,0,1]=2 71 B7R1.3 O=C1COCCO1 242965 [0,1,0,0,0,0|1,0,1]=3 72 B7R1.3 O=C1NCCCN1 208604 [0,1,0,0,0,0|2,0,1]=4 73 B7R1.3 OC1CCCCC1 094602 [0,1,0,0,0,0|2,0,0]=3 74 B7R1.3 OC1CCCCO1 068766 [0,1,0,0,0,0|1,0,0]=2 75 B7R1.3 OC1CCCNC1 011774 [0,1,0,0,0,0|1,0,0]=2 76 B7R1.3 OC1CCCNC1 068876 [0,1,0,0,0,0|1,0,0]=2 77 B7R1.3 OC1CCCOC1 047681 [0,1,0,0,0,0|1,0,0]=2 78 B7R1.3 OC1CCNCC1 043869 [0,1,0,0,0,0|1,0,0]=2 79 B7R1.3 OC1CCOCC1 068764 [0,1,0,0,0,0|1,0,0]=2 80 B7R1.3 OC1COCOC1 069030 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.3 O[C@@H]1CCCNC1 011776 [0,1,0,0,0,0|1,0,0]=2 82 B7R1.3 O[C@H]1CCCNC1 011775 [0,1,0,0,0,0|1,0,0]=2 83 B7R1.3 S=C1NCCCN1 018995 [0,1,0,0,0,0|2,0,1]=4 84 B7R1.3 SC1CCCCC1 099097 [0,1,0,0,0,0|2,0,0]=3 85 B5R0.2 BrCCCCBr 004638 [0,0,1,0,0,0|3,0,0]=4 86 B5R0.2 C#CCCCC 098932 [0,0,1,0,0,0|2,0,1]=4 87 B5R0.2 C#CCCCO 164406 [0,0,1,0,0,0|1,0,2]=4 88 B5R0.2 C=CCCCC 098845 [0,0,1,0,0,0|2,0,1]=4 89 B5R0.2 C=CCCCO 164000 [0,0,1,0,0,0|1,0,2]=4 90 B5R0.2 C=CCCNC 104185 [0,0,1,0,0,0|1,0,1]=3 91 B5R0.2 C=COCCO 463043 [0,0,1,0,0,0|1,0,2]=4 92 B5R0.2 CC#CCCC 145600 [0,0,1,0,0,0|2,0,1]=4 93 B5R0.2 CC#CCCO 010354 [0,0,1,0,0,0|1,0,1]=3 94 B5R0.2 CCC#CCBr 009064 [0,0,1,0,0,0|2,0,1]=4 95 B5R0.2 CCC#CCO 164400 [0,0,1,0,0,0|1,0,1]=3 96 B5R0.2 CCCCC#N 386692 [0,0,1,0,0,0|1,0,2]=4 97 B5R0.2 CCCCC=O 094967 [0,0,1,0,0,0|1,0,2]=4 98 B5R0.2 CCCCC=O 106333 [0,0,1,0,0,0|1,0,2]=4 99 B5R0.2 CCCCCBr 098930 [0,0,1,0,0,0|2,0,0]=3 100 B5R0.2 CCCCCC 094916 [0,0,1,0,0,0|2,0,0]=3 101 B5R0.2 CCCCCC 099897 [0,0,1,0,0,0|2,0,0]=3 102 B5R0.2 CCCCCC 102229 [0,0,1,0,0,0|2,0,0]=3 103 B5R0.2 CCCCCC 102412 [0,0,1,0,0,0|2,0,0]=3 104 B5R0.2 CCCCCI 349297 [0,0,1,0,0,0|2,0,0]=3 105 B5R0.2 CCCCCN 099587 [0,0,1,0,0,0|1,0,0]=2 106 B5R0.2 CCCCCO 101568 [0,0,1,0,0,0|1,0,0]=2 107 B5R0.2 CCCCNC 098817 [0,0,1,0,0,0|1,0,0]=2 108 B5R0.2 CCCCNN 324841 [0,0,1,0,0,0|2,0,0]=3 109 B5R0.2 CCCC[Zn]Br 213843 [0,0,1,0,0,0|3,0,0]=4 110 B5R0.2 CCCNCC 099259 [0,0,1,0,0,0|1,0,0]=2 111 B5R0.2 CCC\C=N\O 099610 [0,0,1,0,0,0|2,0,1]=4 112 B5R0.2 CCNCCO 094818 [0,0,1,0,0,0|0,0,0]=1 113 B5R0.2 CCOCCBr 001004 [0,0,1,0,0,0|1,0,0]=2 114 B5R0.2 CCOCCN 374636 [0,0,1,0,0,0|0,0,0]=1 115 B5R0.2 CCOCCO 037421 [0,0,1,0,0,0|1,0,0]=2 116 B5R0.2 CCSCCCl 001741 [0,0,1,0,0,0|1,1,0]=3 117 B5R0.2 CCSCCN 390974 [0,0,1,0,0,0|0,1,0]=2 118 B5R0.2 CCSCCO 002951 [0,0,1,0,0,0|1,0,0]=2 119 B5R0.2 CCSSCC 103992 [0,0,1,0,0,0|2,1,0]=4 120 B5R0.2 CC\C=C/CO 386381 [0,0,1,0,0,0|1,0,1]=3 121 B5R0.2 CC\C=C\CBr 106316 [0,0,1,0,0,0|2,0,1]=4 122 B5R0.2 CNCCC#N 242856 [0,0,1,0,0,0|2,0,0]=3 123 B5R0.2 CNCCCN 300980 [0,0,1,0,0,0|2,0,0]=3 124 B5R0.2 CNCCCO 239815 [0,0,1,0,0,0|2,0,0]=3 125 B5R0.2 CNCCNC 043850 [0,0,1,0,0,0|1,0,0]=2 126 B5R0.2 CNCCOC 011340 [0,0,1,0,0,0|0,0,0]=1 127 B5R0.2 COCCC#N 154600 [0,0,1,0,0,0|2,0,0]=3 128 B5R0.2 COCCCBr 043598 [0,0,1,0,0,0|2,0,0]=3 129 B5R0.2 COCCCN 242837 [0,0,1,0,0,0|2,0,0]=3 130 B5R0.2 COCCCO 078666 [0,0,1,0,0,0|2,0,0]=3 131 B5R0.2 COCCOC 098861 [0,0,1,0,0,0|1,0,0]=2 132 B5R0.2 COCCOC 106693 [0,0,1,0,0,0|1,0,0]=2 133 B5R0.2 CSCCC=O 103329 [0,0,1,0,0,0|2,1,0]=4 134 B5R0.2 CSCCCN 103438 [0,0,1,0,0,0|2,0,0]=3 135 B5R0.2 CSCCCO 069294 [0,0,1,0,0,0|2,0,0]=3 136 B5R0.2 C\C=C\OCC 103024 [0,0,1,0,0,0|1,0,2]=4 137 B5R0.2 ClCCCCBr 235481 [0,0,1,0,0,0|3,0,0]=4 138 B5R0.2 ClCCCCCl 099062 [0,0,1,0,0,0|3,0,0]=4 139 B5R0.2 ClCCCCI 242676 [0,0,1,0,0,0|3,0,0]=4 140 B5R0.2 FCCCCBr 001725 [0,0,1,0,0,0|3,0,0]=4 141 B5R0.2 ICCCCI 239851 [0,0,1,0,0,0|3,0,0]=4 142 B5R0.2 NCCCCBr 227649 [0,0,1,0,0,0|2,0,0]=3 143 B5R0.2 NCCCCN 098368 [0,0,1,0,0,0|2,0,0]=3 144 B5R0.2 NCCCCO 036678 [0,0,1,0,0,0|2,0,0]=3 145 B5R0.2 OCC#CCO 009074 [0,0,1,0,0,0|2,0,1]=4 146 B5R0.2 OCCCCBr 036997 [0,0,1,0,0,0|2,0,0]=3 147 B5R0.2 OCCCCCl 097634 [0,0,1,0,0,0|2,0,0]=3 148 B5R0.2 OC\C=C/CO 095819 [0,0,1,0,0,0|2,0,1]=4 149 B5R0.2 OC\C=C/CO 098937 [0,0,1,0,0,0|2,0,1]=4 150 B5R0.2 SCCCCS 102622 [0,0,1,0,0,0|2,1,0]=4 151 B5R0.2 [C-]#[N+]CCCC 021027 [0,0,1,0,0,0|1,0,2]=4 152 B5R0.2 [N-]=[N+]=NCCO 062213 [0,0,1,0,0,0|2,0,1]=4 153 B7R2.13 C1CC2OC2C1 078957 [0,0,0,1,0,0|1,0,0]=2 154 B7R2.13 C1OCC2OC12 091902 [0,0,0,1,0,0|1,0,0]=2 155 B5R1.1 C1=CCCC1 520876 [0,0,0,0,1,0|1,0,1]=3 156 B5R1.1 C1=CCNC1 013932 [0,0,0,0,1,0|0,0,2]=3 157 B5R1.1 C1=COCC1 051266 [0,0,0,0,1,0|0,0,2]=3 158 B5R1.1 C1CCNC1 080281 [0,0,0,0,1,0|0,0,0]=1 159 B5R1.1 C1CCOC1 035914 [0,0,0,0,1,0|0,0,0]=1 160 B5R1.1 C1CCOC1 044988 [0,0,0,0,1,0|0,0,0]=1 161 B5R1.1 C1CCOC1 046883 [0,0,0,0,1,0|0,0,0]=1 162 B5R1.1 C1CCOC1 099898 [0,0,0,0,1,0|0,0,0]=1 163 B5R1.1 C1CCOC1 102161 [0,0,0,0,1,0|0,0,0]=1 164 B5R1.1 C1CCOC1 103783 [0,0,0,0,1,0|0,0,0]=1 165 B5R1.1 C1CCOC1 104382 [0,0,0,0,1,0|0,0,0]=1 166 B5R1.1 C1CCOC1 105576 [0,0,0,0,1,0|0,0,0]=1 167 B5R1.1 C1CCOC1 105743 [0,0,0,0,1,0|0,0,0]=1 168 B5R1.1 C1CCSC1 019455 [0,0,0,0,1,0|0,1,0]=2 169 B5R1.1 C1COCO1 098850 [0,0,0,0,1,0|1,0,0]=2 170 B5R1.1 C1CSCN1 243195 [0,0,0,0,1,0|0,1,0]=2 171 B7R1.24 C1CCCNCC1 099635 [0,0,0,0,0,1|1,0,0]=2 172 B7R1.24 C1CNCCNC1 021581 [0,0,0,0,0,1|1,0,0]=2 173 B7R1.24 C1CNCCOC1 043839 [0,0,0,0,0,1|0,0,0]=1 174 B7R1.24 C1CNCCOC1 061573 [0,0,0,0,0,1|0,0,0]=1 175 B4R0.2 BrCCCBr 003830 [1,0,1,0,0,0|2,0,0]=4 176 B4R0.2 C#CCCC 164100 [1,0,1,0,0,0|1,0,1]=4 177 B4R0.2 C#CCCN 235851 [1,0,1,0,0,0|0,0,2]=4 178 B4R0.2 C#CCCO 009077 [1,0,1,0,0,0|0,0,2]=4 179 B4R0.2 C#CCOC 044755 [1,0,1,0,0,0|0,0,2]=4 180 B4R0.2 C#COCC 050428 [1,0,1,0,0,0|0,0,2]=4 181 B4R0.2 C=CCCO 114900 [1,0,1,0,0,0|0,0,2]=4 182 B4R0.2 C=CCNC 069326 [1,0,1,0,0,0|0,0,2]=4 183 B4R0.2 CC#CCO 009076 [1,0,1,0,0,0|0,0,2]=4 184 B4R0.2 CCCC#N 046731 [1,0,1,0,0,0|0,0,2]=4 185 B4R0.2 CCCC=O 094987 [1,0,1,0,0,0|0,0,2]=4 186 B4R0.2 CCCCBr 098944 [1,0,1,0,0,0|1,0,0]=3 187 B4R0.2 CCCCC 995196 [1,0,1,0,0,0|1,0,0]=3 188 B4R0.2 CCCCI 094442 [1,0,1,0,0,0|1,0,0]=3 189 B4R0.2 CCCCN 094792 [1,0,1,0,0,0|0,0,0]=2 190 B4R0.2 CCCCO 035921 [1,0,1,0,0,0|0,0,0]=2 191 B4R0.2 CCCCO 075156 [1,0,1,0,0,0|0,0,0]=2 192 B4R0.2 CCCCO 101601 [1,0,1,0,0,0|0,0,0]=2 193 B4R0.2 CCCCS 046727 [1,0,1,0,0,0|0,1,0]=3 194 B4R0.2 CCCC[Mg+] 102041 [1,0,1,0,0,0|1,0,0]=3 195 B4R0.2 CCCC[S-] 104802 [1,0,1,0,0,0|0,1,0]=3 196 B4R0.2 CCCNC 056258 [1,0,1,0,0,0|0,0,0]=2 197 B4R0.2 CCNC=O 099258 [1,0,1,0,0,0|0,0,2]=4 198 B4R0.2 CCNCC 043314 [1,0,1,0,0,0|0,0,0]=2 199 B4R0.2 CCNCC 129100 [1,0,1,0,0,0|0,0,0]=2 200 B4R0.2 CCOC=N 099169 [1,0,1,0,0,0|0,0,2]=4 201 B4R0.2 CCOC=O 044728 [1,0,1,0,0,0|1,0,1]=4 202 B4R0.2 CCOCC 075236 [1,0,1,0,0,0|0,0,0]=2 203 B4R0.2 CCOCC 099494 [1,0,1,0,0,0|0,0,0]=2 204 B4R0.2 CCOCC 101608 [1,0,1,0,0,0|0,0,0]=2 205 B4R0.2 CCOCC 105564 [1,0,1,0,0,0|0,0,0]=2 206 B4R0.2 CCOCCl 005431 [1,0,1,0,0,0|1,0,0]=3 207 B4R0.2 CC[SiH2]CC S06500 [1,0,1,0,0,0|1,0,0]=3 208 B4R0.2 CC[Zn]CC 098867 [1,0,1,0,0,0|1,0,0]=3 209 B4R0.2 CC[Zn]CC 098978 [1,0,1,0,0,0|1,0,0]=3 210 B4R0.2 CNCC#N 078723 [1,0,1,0,0,0|1,0,1]=4 211 B4R0.2 CNCC#N 238940 [1,0,1,0,0,0|1,0,1]=4 212 B4R0.2 CNCCN 094592 [1,0,1,0,0,0|1,0,0]=3 213 B4R0.2 CNCCO 095022 [1,0,1,0,0,0|0,0,0]=2 214 B4R0.2 COCC#N 002451 [1,0,1,0,0,0|0,0,2]=4 215 B4R0.2 COCCBr 005433 [1,0,1,0,0,0|1,0,0]=3 216 B4R0.2 COCCN 046846 [1,0,1,0,0,0|0,0,0]=2 217 B4R0.2 COCCO 043320 [1,0,1,0,0,0|1,0,0]=3 218 B4R0.2 COCCO 102150 [1,0,1,0,0,0|1,0,0]=3 219 B4R0.2 COCOC 094560 [1,0,1,0,0,0|1,0,0]=3 220 B4R0.2 CSCCCl 044921 [1,0,1,0,0,0|1,1,0]=4 221 B4R0.2 CSCCO 003087 [1,0,1,0,0,0|1,0,0]=3 222 B4R0.2 C\C=C\CO 103771 [1,0,1,0,0,0|0,0,2]=4 223 B4R0.2 ClCCCBr 094507 [1,0,1,0,0,0|2,0,0]=4 224 B4R0.2 ClCCCCl 101461 [1,0,1,0,0,0|2,0,0]=4 225 B4R0.2 ClCCCI 001486 [1,0,1,0,0,0|2,0,0]=4 226 B4R0.2 FCCCI 095368 [1,0,1,0,0,0|2,0,0]=4 227 B4R0.2 ICCCI 003098 [1,0,1,0,0,0|2,0,0]=4 228 B4R0.2 N#CCCN 105100 [1,0,1,0,0,0|1,0,1]=4 229 B4R0.2 N#CCCO 005000 [1,0,1,0,0,0|1,0,1]=4 230 B4R0.2 NCCCBr 079493 [1,0,1,0,0,0|1,0,0]=3 231 B4R0.2 NCCCCl 095817 [1,0,1,0,0,0|1,0,0]=3 232 B4R0.2 NCCCN 094590 [1,0,1,0,0,0|1,0,0]=3 233 B4R0.2 NCCCO 099680 [1,0,1,0,0,0|1,0,0]=3 234 B4R0.2 NNCCO 069293 [1,0,1,0,0,0|1,0,0]=3 235 B4R0.2 OCCCBr 047460 [1,0,1,0,0,0|1,0,0]=3 236 B4R0.2 OCCCCl 024840 [1,0,1,0,0,0|1,0,0]=3 237 B4R0.2 OCCCF 010306 [1,0,1,0,0,0|1,0,0]=3 238 B4R0.2 OCCCI 002583 [1,0,1,0,0,0|1,0,0]=3 239 B4R0.2 OCCCO 095066 [1,0,1,0,0,0|1,0,0]=3 240 B4R0.2 SCCCCl 099136 [1,0,1,0,0,0|1,1,0]=4 241 B4R0.2 SCCCS 101936 [1,0,1,0,0,0|1,1,0]=4 242 B4R0.2 [Li]CCCC 044819 [1,0,1,0,0,0|1,0,0]=3 243 B6R0.1 CCC(N)CCN 479098 [0,1,1,0,0,0|1,0,0]=3 244 B6R0.1 CCC(N)COC 046850 [0,1,1,0,0,0|1,0,0]=3 245 B6R0.1 CCC(O)COC 375173 [0,1,1,0,0,0|1,0,0]=3 246 B6R0.1 CCCC(=O)OC 358407 [0,1,1,0,0,0|1,0,1]=4 247 B6R0.1 CCCC(O)CO 242929 [0,1,1,0,0,0|1,0,0]=3 248 B6R0.1 CCNC(=O)CCl 069838 [0,1,1,0,0,0|1,0,1]=4 249 B6R0.1 CCNC(=O)CN 075036 [0,1,1,0,0,0|1,0,1]=4 250 B6R0.1 CCOC(=O)CBr 006091 [0,1,1,0,0,0|1,0,1]=4 251 B6R0.1 CCOC(=O)CC 094652 [0,1,1,0,0,0|1,0,1]=4 252 B6R0.1 CCOC(=O)CCl 097784 [0,1,1,0,0,0|1,0,1]=4 253 B6R0.1 CCOC(=O)CF 019465 [0,1,1,0,0,0|1,0,1]=4 254 B6R0.1 CCOC(=O)CI 324768 [0,1,1,0,0,0|1,0,1]=4 255 B6R0.1 CCOC(=O)CN 094472 [0,1,1,0,0,0|0,0,1]=3 256 B6R0.1 CCOC(=O)CO 227697 [0,1,1,0,0,0|1,0,1]=4 257 B6R0.1 CCOC(=O)CS 099611 [0,1,1,0,0,0|1,0,1]=4 258 B6R0.1 CCOC(=O)NN 208618 [0,1,1,0,0,0|1,0,1]=4 259 B6R0.1 CNCC(=O)OC M03234 [0,1,1,0,0,0|0,0,1]=3 260 B6R0.1 CNCC(O)CO 208621 [0,1,1,0,0,0|2,0,0]=4 261 B6R0.1 COC(=O)CCN 032703 [0,1,1,0,0,0|2,0,0]=4 262 B6R0.1 COC(=O)CCO 223297 [0,1,1,0,0,0|2,0,0]=4 263 B6R0.1 COC(=O)CSC 002978 [0,1,1,0,0,0|1,0,1]=4 264 B6R0.1 COCC(=O)NN 005975 [0,1,1,0,0,0|1,0,1]=4 265 B6R0.1 COCC(=O)OC 358440 [0,1,1,0,0,0|1,0,1]=4 266 B6R0.1 C[C@@H](CO)CCN 103282 [0,1,1,0,0,0|2,0,0]=4 267 B6R0.4 C=C(C)CNCC 098963 [0,1,1,0,0,0|1,0,1]=4 268 B6R0.4 CC(=O)CCCO 093373 [0,1,1,0,0,0|1,0,1]=4 269 B6R0.4 CC(=O)NCCN 226270 [0,1,1,0,0,0|1,0,1]=4 270 B6R0.4 CC(=O)NCCO 094790 [0,1,1,0,0,0|0,0,1]=3 271 B6R0.4 CC(=O)NCCS 106473 [0,1,1,0,0,0|0,1,1]=4 272 B6R0.4 CC(=O)OCCBr 024963 [0,1,1,0,0,0|1,0,1]=4 273 B6R0.4 CC(=O)OCCO 046708 [0,1,1,0,0,0|1,0,1]=4 274 B6R0.4 CC(Br)CCCBr 001096 [0,1,1,0,0,0|2,0,0]=4 275 B6R0.4 CC(C)NCCO 069257 [0,1,1,0,0,0|0,0,0]=2 276 B6R0.4 CC(C)OCCO 150900 [0,1,1,0,0,0|1,0,0]=3 277 B6R0.4 CC(O)CCCO 386330 [0,1,1,0,0,0|1,0,0]=3 278 B6R0.4 CCC#CC(C)O 105445 [0,1,1,0,0,0|1,0,1]=4 279 B6R0.4 CCCCB(O)O 010773 [0,1,1,0,0,0|2,0,0]=4 280 B6R0.4 CCCCC(=O)O 066625 [0,1,1,0,0,0|1,0,1]=4 281 B6R0.4 CCCCC(C)=O 098350 [0,1,1,0,0,0|2,0,0]=4 282 B6R0.4 CCCCC(C)N 214315 [0,1,1,0,0,0|1,0,0]=3 283 B6R0.4 CCCCC(N)=O 176500 [0,1,1,0,0,0|1,0,1]=4 284 B6R0.4 CCCCN(C)C 115800 [0,1,1,0,0,0|1,0,0]=3 285 B6R0.4 CCCC[C@@H](C)O 036116 [0,1,1,0,0,0|1,0,0]=3 286 B6R0.4 CCCNC(C)=O 099232 [0,1,1,0,0,0|1,0,1]=4 287 B6R0.4 CCCOC(C)=O 104128 [0,1,1,0,0,0|1,0,1]=4 288 B6R0.4 CCOCC(=O)O 461062 [0,1,1,0,0,0|1,0,1]=4 289 B6R0.4 CCSCC(=O)O 001760 [0,1,1,0,0,0|1,0,1]=4 290 B6R0.4 CN(C)CCC#N 044322 [0,1,1,0,0,0|2,0,0]=4 291 B6R0.4 CN(C)CCCBr 079586 [0,1,1,0,0,0|2,0,0]=4 292 B6R0.4 CN(C)CCCCl 240358 [0,1,1,0,0,0|2,0,0]=4 293 B6R0.4 CN(C)CCCN 094726 [0,1,1,0,0,0|2,0,0]=4 294 B6R0.4 CN(C)CCCO 242665 [0,1,1,0,0,0|2,0,0]=4 295 B6R0.4 CNCCC(C)C 321590 [0,1,1,0,0,0|1,0,0]=3 296 B6R0.4 CNCCN(C)C 236768 [0,1,1,0,0,0|1,0,0]=3 297 B6R0.4 COCCC(=O)Cl 014676 [0,1,1,0,0,0|2,0,0]=4 298 B6R0.4 COCCC(=O)O 091199 [0,1,1,0,0,0|2,0,0]=4 299 B6R0.4 COCCC(N)=O 091205 [0,1,1,0,0,0|2,0,0]=4 300 B6R0.4 NC(=O)NCCO 319865 [0,1,1,0,0,0|1,0,1]=4 301 B6R0.6 BrCCCCCBr 001044 [0,1,1,0,0,0|2,0,0]=4 302 B6R0.6 BrCCOCCBr 005451 [0,1,1,0,0,0|1,0,0]=3 303 B6R0.6 C#CCCCCC 144400 [0,1,1,0,0,0|2,0,0]=4 304 B6R0.6 C#CCCCCO 145808 [0,1,1,0,0,0|1,0,1]=4 305 B6R0.6 C=CCCCCO 078461 [0,1,1,0,0,0|1,0,1]=4 306 B6R0.6 C=CCOCCO 099544 [0,1,1,0,0,0|1,0,1]=4 307 B6R0.6 C=COCCCC 106580 [0,1,1,0,0,0|1,0,1]=4 308 B6R0.6 CCC#CCCO 145806 [0,1,1,0,0,0|1,0,0]=3 309 B6R0.6 CCCC#CCO 145805 [0,1,1,0,0,0|1,0,1]=4 310 B6R0.6 CCCCCC#N 002444 [0,1,1,0,0,0|1,0,1]=4 311 B6R0.6 CCCCCC=O 094968 [0,1,1,0,0,0|1,0,1]=4 312 B6R0.6 CCCCCCBr 098897 [0,1,1,0,0,0|2,0,0]=4 313 B6R0.6 CCCCCCC 044743 [0,1,1,0,0,0|2,0,0]=4 314 B6R0.6 CCCCCCC 099896 [0,1,1,0,0,0|2,0,0]=4 315 B6R0.6 CCCCCCC 107019 [0,1,1,0,0,0|2,0,0]=4 316 B6R0.6 CCCCCCC 995188 [0,1,1,0,0,0|2,0,0]=4 317 B6R0.6 CCCCCCN 094631 [0,1,1,0,0,0|1,0,0]=3 318 B6R0.6 CCCCCCO 349294 [0,1,1,0,0,0|1,0,0]=3 319 B6R0.6 CCCCCCS 145400 [0,1,1,0,0,0|1,1,0]=4 320 B6R0.6 CCCCCNC 056875 [0,1,1,0,0,0|1,0,0]=3 321 B6R0.6 CCCCNC=O 103559 [0,1,1,0,0,0|1,0,1]=4 322 B6R0.6 CCCCNCC 097790 [0,1,1,0,0,0|1,0,0]=3 323 B6R0.6 CCCNCCC 102049 [0,1,1,0,0,0|1,0,0]=3 324 B6R0.6 CCCNCCN 050965 [0,1,1,0,0,0|1,0,0]=3 325 B6R0.6 CCCNCCO 069279 [0,1,1,0,0,0|0,0,0]=2 326 B6R0.6 CCCOCCN 038577 [0,1,1,0,0,0|0,0,0]=2 327 B6R0.6 CCNCCC#N 013570 [0,1,1,0,0,0|1,0,0]=3 328 B6R0.6 CCNCCCN 544204 [0,1,1,0,0,0|1,0,0]=3 329 B6R0.6 CCNCCCO 387141 [0,1,1,0,0,0|0,0,0]=2 330 B6R0.6 CCNCCNC 024572 [0,1,1,0,0,0|1,0,0]=3 331 B6R0.6 CCOCCC#N 208601 [0,1,1,0,0,0|0,0,1]=3 332 B6R0.6 CCOCCCN 097753 [0,1,1,0,0,0|0,0,0]=2 333 B6R0.6 CCOCOCC 094651 [0,1,1,0,0,0|1,0,0]=3 334 B6R0.6 CC\C=C/CCO 240925 [0,1,1,0,0,0|1,0,0]=3 335 B6R0.6 CNCCCCO 239842 [0,1,1,0,0,0|1,0,0]=3 336 B6R0.6 CNCCCNC 236622 [0,1,1,0,0,0|1,0,0]=3 337 B6R0.6 CNCCCOC 309894 [0,1,1,0,0,0|0,0,0]=2 338 B6R0.6 COCCCCBr 079657 [0,1,1,0,0,0|1,0,0]=3 339 B6R0.6 COCCCCO 236682 [0,1,1,0,0,0|1,0,0]=3 340 B6R0.6 COCCN=C=O 044433 [0,1,1,0,0,0|0,0,2]=4 341 B6R0.6 COCCN=C=S 009506 [0,1,1,0,0,0|0,0,2]=4 342 B6R0.6 CSCCCCO 035889 [0,1,1,0,0,0|1,0,0]=3 343 B6R0.6 C\C=C\CCCO 433438 [0,1,1,0,0,0|1,0,1]=4 344 B6R0.6 ClCCCCCBr 002448 [0,1,1,0,0,0|2,0,0]=4 345 B6R0.6 ClCCCCCCl 101915 [0,1,1,0,0,0|2,0,0]=4 346 B6R0.6 ClCCCCCI 098274 [0,1,1,0,0,0|2,0,0]=4 347 B6R0.6 ClCCNCCCl 078560 [0,1,1,0,0,0|1,0,0]=3 348 B6R0.6 ClCCOCCCl 002891 [0,1,1,0,0,0|1,0,0]=3 349 B6R0.6 FCCCCCBr 218989 [0,1,1,0,0,0|2,0,0]=4 350 B6R0.6 ICCCCCI 239847 [0,1,1,0,0,0|2,0,0]=4 351 B6R0.6 ICCOCCI 241645 [0,1,1,0,0,0|1,0,0]=3 352 B6R0.6 NCCCCCN 208616 [0,1,1,0,0,0|1,0,0]=3 353 B6R0.6 NCCCCCO 463575 [0,1,1,0,0,0|1,0,0]=3 354 B6R0.6 NCCNCCN 098826 [0,1,1,0,0,0|1,0,0]=3 355 B6R0.6 NCCNCCO 245937 [0,1,1,0,0,0|0,0,0]=2 356 B6R0.6 NCCOCCO 336044 [0,1,1,0,0,0|0,0,0]=2 357 B6R0.6 OCCCCCBr 079429 [0,1,1,0,0,0|1,0,0]=3 358 B6R0.6 OCCCCCCl 008844 [0,1,1,0,0,0|1,0,0]=3 359 B6R0.6 OCCCCCO 240419 [0,1,1,0,0,0|1,0,0]=3 360 B6R0.6 OCCNCCO 099502 [0,1,1,0,0,0|0,0,0]=2 361 B6R0.6 OCCNCCO 103514 [0,1,1,0,0,0|0,0,0]=2 362 B6R0.6 OCCNCCO 234996 [0,1,1,0,0,0|0,0,0]=2 363 B6R0.6 OCCOCCCl 241221 [0,1,1,0,0,0|1,0,0]=3 364 B6R0.6 OCCOCCO 044689 [0,1,1,0,0,0|1,0,0]=3 365 B6R0.6 OCCSCCO 095104 [0,1,1,0,0,0|1,0,0]=3 366 B6R1.2 BrC1CCCC1 021866 [0,1,0,0,1,0|1,0,0]=3 367 B6R1.2 BrC1CCNC1 211447 [0,1,0,0,1,0|0,0,0]=2 368 B6R1.2 CC1=CCCC1 103763 [0,1,0,0,1,0|1,0,1]=4 369 B6R1.2 CC1=NCCN1 103446 [0,1,0,0,1,0|1,0,1]=4 370 B6R1.2 CC1=NCCO1 099141 [0,1,0,0,1,0|0,0,2]=4 371 B6R1.2 CC1CCCC1 101560 [0,1,0,0,1,0|1,0,0]=3 372 B6R1.2 CC1CCCO1 094054 [0,1,0,0,1,0|0,0,0]=2 373 B6R1.2 CN1CCCC1 046845 [0,1,0,0,1,0|0,0,0]=2 374 B6R1.2 ClC1CCCC1 098808 [0,1,0,0,1,0|1,0,0]=3 375 B6R1.2 F[C@@H]1CCNC1 013156 [0,1,0,0,1,0|0,0,0]=2 376 B6R1.2 F[C@H]1CCNC1 013157 [0,1,0,0,1,0|0,0,0]=2 377 B6R1.2 IC1CCCC1 097746 [0,1,0,0,1,0|1,0,0]=3 378 B6R1.2 NC1CC=CC1 011352 [0,1,0,0,1,0|1,0,1]=4 379 B6R1.2 NC1CCCC1 049405 [0,1,0,0,1,0|1,0,0]=3 380 B6R1.2 NC1CCNC1 024526 [0,1,0,0,1,0|0,0,0]=2 381 B6R1.2 NC1CCOC1 208592 [0,1,0,0,1,0|0,0,0]=2 382 B6R1.2 O=C1CCCC1 044205 [0,1,0,0,1,0|1,0,0]=3 383 B6R1.2 O=C1CCCN1 095374 [0,1,0,0,1,0|0,0,1]=3 384 B6R1.2 O=C1CCCN1 098215 [0,1,0,0,1,0|0,0,1]=3 385 B6R1.2 O=C1CCNC1 078709 [0,1,0,0,1,0|0,0,1]=3 386 B6R1.2 O=C1CCNN1 092652 [0,1,0,0,1,0|1,0,1]=4 387 B6R1.2 O=C1CCOC1 076836 [0,1,0,0,1,0|0,0,1]=3 388 B6R1.2 O=C1CCSC1 214765 [0,1,0,0,1,0|0,1,1]=4 389 B6R1.2 O=C1CNCN1 079854 [0,1,0,0,1,0|1,0,1]=4 390 B6R1.2 O=C1NCCN1 078654 [0,1,0,0,1,0|1,0,1]=4 391 B6R1.2 O=C1NCCO1 216566 [0,1,0,0,1,0|0,0,1]=3 392 B6R1.2 O=C1NCCS1 215692 [0,1,0,0,1,0|0,1,1]=4 393 B6R1.2 O=C1OCCO1 094510 [0,1,0,0,1,0|1,0,1]=4 394 B6R1.2 O=S1CCCC1 001093 [0,1,0,0,1,0|0,1,0]=3 395 B6R1.2 OC1CC=CC1 011661 [0,1,0,0,1,0|1,0,1]=4 396 B6R1.2 OC1CCCC1 044840 [0,1,0,0,1,0|1,0,0]=3 397 B6R1.2 OC1CCNC1 011341 [0,1,0,0,1,0|0,0,0]=2 398 B6R1.2 OC1CCOC1 005327 [0,1,0,0,1,0|0,0,0]=2 399 B6R1.2 O[C@@H]1CCNC1 076549 [0,1,0,0,1,0|0,0,0]=2 400 B6R1.2 O[C@@H]1CCOC1 093765 [0,1,0,0,1,0|0,0,0]=2 401 B6R1.2 O[C@H]1CCNC1 011760 [0,1,0,0,1,0|0,0,0]=2 402 B6R1.2 O[C@H]1CCNC1 093058 [0,1,0,0,1,0|0,0,0]=2 403 B6R1.2 O[C@H]1CCOC1 078070 [0,1,0,0,1,0|0,0,0]=2 404 B6R1.2 S=C1NCCN1 099092 [0,1,0,0,1,0|1,0,1]=4 405 B6R1.2 S=C1NCCS1 038194 [0,1,0,0,1,0|0,1,1]=4 406 B6R1.2 SC1CCCC1 075248 [0,1,0,0,1,0|1,0,0]=3 407 B8R1.22 BrC1CCCCCC1 238778 [0,1,0,0,0,1|2,0,0]=4 408 B8R1.22 CN1CCCNCC1 068998 [0,1,0,0,0,1|1,0,0]=3 409 B8R1.22 NC1CCCCCC1 046759 [0,1,0,0,0,1|2,0,0]=4 410 B8R1.22 NC1CCCCNC1 011372 [0,1,0,0,0,1|1,0,0]=3 411 B8R1.22 O=C1CCCCCC1 098940 [0,1,0,0,0,1|2,0,0]=4 412 B8R1.22 O=C1CCCCCN1 102927 [0,1,0,0,0,1|1,0,0]=3 413 B8R1.22 O=C1CCCCCO1 094875 [0,1,0,0,0,1|1,0,0]=3 414 B8R1.22 O=C1CCNCCN1 011670 [0,1,0,0,0,1|1,0,0]=3 415 B8R1.22 OC1CCCCCC1 235579 [0,1,0,0,0,1|2,0,0]=4 416 B8R1.22 S=C1CCCCCN1 099229 [0,1,0,0,0,1|1,0,0]=3 417 B8R1.2 BrCC1CCCCC1 044195 [0,2,0,0,0,0|2,0,0]=4 418 B8R1.2 BrCC1CCCCO1 067845 [0,2,0,0,0,0|1,0,0]=3 419 B8R1.2 BrCC1CCOCC1 037029 [0,2,0,0,0,0|1,0,0]=3 420 B8R1.2 C#CC1CCCCC1 237953 [0,2,0,0,0,0|2,0,0]=4 421 B8R1.2 CC=C1CCCCC1 105541 [0,2,0,0,0,0|2,0,0]=4 422 B8R1.2 CCC1CCCCN1 238822 [0,2,0,0,0,0|1,0,0]=3 423 B8R1.2 CCN1CCCCC1 180030 [0,2,0,0,0,0|1,0,0]=3 424 B8R1.2 CCN1CCNCC1 235581 [0,2,0,0,0,0|1,0,0]=3 425 B8R1.2 CCN1CCOCC1 242953 [0,2,0,0,0,0|0,0,0]=2 426 B8R1.2 CNC1CCCCC1 221640 [0,2,0,0,0,0|2,0,0]=4 427 B8R1.2 CNC1CCOCC1 016046 [0,2,0,0,0,0|1,0,0]=3 428 B8R1.2 COC1CCNCC1 029227 [0,2,0,0,0,0|1,0,0]=3 429 B8R1.2 COC1CCNCC1 046103 [0,2,0,0,0,0|1,0,0]=3 430 B8R1.2 N#CC1CCCCC1 243054 [0,2,0,0,0,0|2,0,0]=4 431 B8R1.2 N#CC1CCCNC1 061532 [0,2,0,0,0,0|1,0,0]=3 432 B8R1.2 N#CC1CCNCC1 024547 [0,2,0,0,0,0|1,0,0]=3 433 B8R1.2 N#CC1CCOCC1 044654 [0,2,0,0,0,0|1,0,0]=3 434 B8R1.2 N#CN1CCCCC1 099025 [0,2,0,0,0,0|1,0,0]=3 435 B8R1.2 NCC1CCCCC1 065546 [0,2,0,0,0,0|2,0,0]=4 436 B8R1.2 NCC1CCCCN1 208655 [0,2,0,0,0,0|1,0,0]=3 437 B8R1.2 NCC1CCCNC1 092253 [0,2,0,0,0,0|1,0,0]=3 438 B8R1.2 NCC1CCNCC1 011323 [0,2,0,0,0,0|1,0,0]=3 439 B8R1.2 NCC1CCOCC1 033055 [0,2,0,0,0,0|1,0,0]=3 440 B8R1.2 NNC1CCCCC1 044302 [0,2,0,0,0,0|2,0,0]=4 441 B8R1.2 NOC1CCCCO1 076716 [0,2,0,0,0,0|1,0,0]=3 442 B8R1.2 O=CC1CCCCC1 050618 [0,2,0,0,0,0|2,0,0]=4 443 B8R1.2 O=CC1CCOCC1 065305 [0,2,0,0,0,0|1,0,0]=3 444 B8R1.2 O=CN1CCCCC1 208647 [0,2,0,0,0,0|1,0,0]=3 445 B8R1.2 O=CN1CCNCC1 223849 [0,2,0,0,0,0|1,0,0]=3 446 B8R1.2 O=CN1CCOCC1 078917 [0,2,0,0,0,0|0,0,0]=2 447 B8R1.2 OCC1CCCCC1 024256 [0,2,0,0,0,0|2,0,0]=4 448 B8R1.2 OCC1CCCCN1 078983 [0,2,0,0,0,0|1,0,0]=3 449 B8R1.2 OCC1CCCCO1 067745 [0,2,0,0,0,0|1,0,0]=3 450 B8R1.2 OCC1CCCNC1 036329 [0,2,0,0,0,0|1,0,0]=3 451 B8R1.2 OCC1CCNCC1 067749 [0,2,0,0,0,0|1,0,0]=3 452 B8R1.2 OCC1CCOCC1 047969 [0,2,0,0,0,0|1,0,0]=3 453 B8R1.2 OCC1COCCO1 225877 [0,2,0,0,0,0|1,0,0]=3 454 B8R1.2 OC[C@@H]1CCCCN1 230468 [0,2,0,0,0,0|1,0,0]=3 455 B8R1.2 OC[C@H]1CCCCN1 230469 [0,2,0,0,0,0|1,0,0]=3 456 B8R1.2 ON=C1CCCCC1 371936 [0,2,0,0,0,0|2,0,0]=4 457 B8R1.2 ON=C1CCOCC1 080077 [0,2,0,0,0,0|1,0,0]=3 458 B8R1.2 [C-]#[N+]C1CCCCC1 021021 [0,2,0,0,0,0|2,0,0]=4 459 B8R1.3 CC1CCC(=O)CC1 241022 [0,2,0,0,0,0|2,0,0]=4 460 B8R1.3 CC1CCC(N)CC1 235459 [0,2,0,0,0,0|2,0,0]=4 461 B8R1.3 CC1CCC(O)CC1 221545 [0,2,0,0,0,0|2,0,0]=4 462 B8R1.3 CN1CCC(=O)CC1 078184 [0,2,0,0,0,0|1,0,0]=3 463 B8R1.3 CN1CCC(=O)CC1 105797 [0,2,0,0,0,0|1,0,0]=3 464 B8R1.3 CN1CCC(Cl)CC1 043308 [0,2,0,0,0,0|1,0,0]=3 465 B8R1.3 CN1CCC(Cl)CC1 209522 [0,2,0,0,0,0|1,0,0]=3 466 B8R1.3 CN1CCC(N)CC1 023483 [0,2,0,0,0,0|1,0,0]=3 467 B8R1.3 CN1CCC(O)CC1 023287 [0,2,0,0,0,0|1,0,0]=3 468 B8R1.3 CN1CCN(C)CC1 135600 [0,2,0,0,0,0|1,0,0]=3 469 B8R1.3 CN1CCN(N)CC1 240572 [0,2,0,0,0,0|1,0,0]=3 470 B8R1.3 C[C@H]1CC[C@H](N)CC1 040157 [0,2,0,0,0,0|2,0,0]=4 471 B8R1.3 C[C@H]1CC[C@H](O)CC1 103562 [0,2,0,0,0,0|2,0,0]=4 472 B8R1.3 NC1CCC(N)CC1 091493 [0,2,0,0,0,0|2,0,0]=4 473 B8R1.3 N[C@H]1CC[C@@H](O)CC1 036775 [0,2,0,0,0,0|2,0,0]=4 474 B8R1.3 N[C@H]1CC[C@H](N)CC1 078583 [0,2,0,0,0,0|2,0,0]=4 475 B8R1.3 N[C@H]1CC[C@H](O)CC1 076683 [0,2,0,0,0,0|2,0,0]=4 476 B8R1.3 N[C@H]1CC[C@H](O)CC1 103705 [0,2,0,0,0,0|2,0,0]=4 477 B8R1.3 O=C1CCC(=O)CC1 078914 [0,2,0,0,0,0|2,0,0]=4 478 B8R1.3 O=C1CCC(O)CC1 069093 [0,2,0,0,0,0|2,0,0]=4 479 B8R1.3 OC1CCC(O)CC1 241344 [0,2,0,0,0,0|2,0,0]=4 480 B8R1.3 OC1COC(O)CO1 092250 [0,2,0,0,0,0|1,0,0]=3 481 B8R1.3 OC1CSC(O)CS1 022124 [0,2,0,0,0,0|1,1,0]=4 482 B8R1.4 CC1CCCC(C)N1 092293 [0,2,0,0,0,0|1,0,0]=3 483 B8R1.4 CC1CNCC(C)C1 214739 [0,2,0,0,0,0|1,0,0]=3 484 B8R1.4 CC1CNCC(C)N1 236619 [0,2,0,0,0,0|1,0,0]=3 485 B8R1.4 CC1CNCC(C)O1 091225 [0,2,0,0,0,0|0,0,0]=2 486 B8R1.4 CN1CCCC(N)C1 024825 [0,2,0,0,0,0|1,0,0]=3 487 B8R1.4 C[C@H]1CCC[C@@H](C)N1 102064 [0,2,0,0,0,0|1,0,0]=3 488 B8R1.4 C[C@H]1CNC[C@@H](C)O1 091224 [0,2,0,0,0,0|0,0,0]=2 489 B8R1.4 NC1CCCC(N)C1 011330 [0,2,0,0,0,0|2,0,0]=4 490 B8R1.4 NC1CCCC(O)C1 070474 [0,2,0,0,0,0|2,0,0]=4 491 B8R1.4 O=C1CCNC(=O)C1 044088 [0,2,0,0,0,0|1,0,1]=4 492 B8R1.4 O=C1COCC(=O)N1 306406 [0,2,0,0,0,0|0,0,2]=4 493 B8R1.4 OC1CCCC(O)C1 538675 [0,2,0,0,0,0|2,0,0]=4 494 B8R1.5 Br[C@@H]1CCCC[C@H]1Br 103333 [0,2,0,0,0,0|2,0,0]=4 495 B8R1.5 CC1CCCCC1=O 463405 [0,2,0,0,0,0|2,0,0]=4 496 B8R1.5 CC1CCCCC1N 222026 [0,2,0,0,0,0|2,0,0]=4 497 B8R1.5 CC1CCCCC1O 037382 [0,2,0,0,0,0|2,0,0]=4 498 B8R1.5 CN1CCCCC1=O 240152 [0,2,0,0,0,0|1,0,1]=4 499 B8R1.5 NC1CCCCC1N 208654 [0,2,0,0,0,0|2,0,0]=4 500 B8R1.5 NC1CCCCC1O 103700 [0,2,0,0,0,0|2,0,0]=4 501 B8R1.5 NC1CCCNC1=O 075567 [0,2,0,0,0,0|1,0,1]=4 502 B8R1.5 N[C@@H]1CCCC[C@H]1N 012705 [0,2,0,0,0,0|2,0,0]=4 503 B8R1.5 N[C@@H]1CCCC[C@H]1O 093763 [0,2,0,0,0,0|2,0,0]=4 504 B8R1.5 N[C@@H]1CCCC[C@H]1O 095334 [0,2,0,0,0,0|2,0,0]=4 505 B8R1.5 N[C@@H]1CCCC[C@H]1O 237909 [0,2,0,0,0,0|2,0,0]=4 506 B8R1.5 N[C@H]1CCCC[C@@H]1N 012706 [0,2,0,0,0,0|2,0,0]=4 507 B8R1.5 N[C@H]1CCCC[C@@H]1N 012707 [0,2,0,0,0,0|2,0,0]=4 508 B8R1.5 N[C@H]1CCCC[C@@H]1O 078037 [0,2,0,0,0,0|2,0,0]=4 509 B8R1.5 N[C@H]1CCCC[C@H]1N 012716 [0,2,0,0,0,0|2,0,0]=4 510 B8R1.5 N[C@H]1CCCC[C@H]1O 077826 [0,2,0,0,0,0|2,0,0]=4 511 B8R1.5 O=C1CCCCC1Cl 235014 [0,2,0,0,0,0|2,0,0]=4 512 B8R1.5 OC1CCCCC1O 008843 [0,2,0,0,0,0|2,0,0]=4 513 B8R1.5 O[C@H]1CCCC[C@H]1O 219174 [0,2,0,0,0,0|2,0,0]=4 514 B8R1.72 CC1(C)CCNCC1 075595 [0,2,0,0,0,0|1,0,0]=3 515 B8R1.72 CC1(C)COCCN1 061564 [0,2,0,0,0,0|0,0,0]=2 516 B8R1.72 CC1(Cl)CCCCC1 067555 [0,2,0,0,0,0|2,0,0]=4 517 B8R1.72 CC1(O)CCCCC1 099112 [0,2,0,0,0,0|2,0,0]=4 518 B8R1.72 CN1(=O)CCOCC1 104623 [0,2,0,0,0,0|0,0,1]=3 519 B8R1.72 C[N+]1([O-])CCOCC1 225495 [0,2,0,0,0,0|0,0,1]=3 520 B8R1.72 C[N+]1([O-])CCOCC1 228951 [0,2,0,0,0,0|0,0,1]=3 521 B8R1.72 FC1(F)CCCNC1 009740 [0,2,0,0,0,0|1,0,0]=3 522 B8R1.72 FC1(F)CCNCC1 009632 [0,2,0,0,0,0|1,0,0]=3 523 B8R1.72 O=S1(=O)CCCCO1 216438 [0,2,0,0,0,0|2,0,0]=4 524 B8R1.72 O=S1(=O)CCNCC1 214860 [0,2,0,0,0,0|0,1,0]=3 525 B8R1.72 OC1(O)CCNCC1 304310 [0,2,0,0,0,0|1,0,0]=3 526 B6R1.3 CNCC1CC1 065548 [0,0,1,1,0,0|1,0,0]=3 527 B6R1.3 OCCN1CC1 216355 [0,0,1,1,0,0|0,0,0]=2 528 B6R1.6 BrCC1CCC1 067868 [0,0,1,1,0,0|2,0,0]=4 529 B6R1.6 COC1CNC1 077415 [0,0,1,1,0,0|0,0,0]=2 530 B6R1.6 ICC1CCC1 099276 [0,0,1,1,0,0|2,0,0]=4 531 B6R1.6 OCC1CCC1 009111 [0,0,1,1,0,0|1,0,0]=3 532 B6R1.6 OCC1CNC1 078174 [0,0,1,1,0,0|2,0,0]=4 533 B8R2.25 C1CCC2OC2C1 358319 [0,0,0,1,0,1|1,0,0]=3 534 B8R2.34 [C@H]12CN[C@H](CN1)C2 051267 [0,1,0,1,0,0|1,0,0]=3 535 B4R1.1 C1CNC1 036832 [0,0,0,0,2,0|0,0,0]=2 536 B8R1.49 C1=CCCC=CCC1 046132 [0,0,0,0,0,2|2,0,0]=4 537 B8R1.49 C1=CCCC=CCC1 048598 [0,0,0,0,0,2|2,0,0]=4 538 B8R1.49 C1=CCCC=CCC1 051170 [0,0,0,0,0,2|2,0,0]=4 539 B8R1.49 C1=CCCC=CCC1 098893 [0,0,0,0,0,2|2,0,0]=4 540 B8R1.49 C1=CCCC=CCC1 463275 [0,0,0,0,0,2|2,0,0]=4