0 B6R0.4 C#CCCC(=O)O 164204 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.4 C#CCNC(C)=O 471787 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 C#CCOC(C)=O 167000 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 C(CC)=CC(=O)O 001396 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.4 C=C(C)CNCC 098963 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.4 C=CCCC(=O)O 002777 [0,0,0,0,0,0|0,0,2]=2 6 B6R0.4 C=CCCC(C)=O 358446 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.4 C=CCNC(C)=O 103870 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.4 C=CCOC(=O)Cl 099832 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.4 C=CCOC(C)=O 099570 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.4 CC(=O)CCCCl 326218 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.4 CC(=O)CCCO 093373 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.4 CC(=O)NCCN 226270 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.4 CC(=O)NCCO 094790 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.4 CC(=O)NCCS 106473 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.4 CC(=O)OCCBr 024963 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.4 CC(=O)OCCO 046708 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.4 CC(Br)CCCBr 001096 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.4 CC(O)CCCO 386330 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.4 CCC#CC(=O)O 164200 [0,0,0,0,0,0|0,0,2]=2 20 B6R0.4 CCC#CC(C)O 105445 [0,0,0,0,0,0|1,0,3]=4 21 B6R0.4 CCCCB(O)O 010773 [0,0,0,0,0,0|1,0,1]=2 22 B6R0.4 CCCCC(=O)Cl 099590 [0,0,0,0,0,0|1,0,0]=1 23 B6R0.4 CCCCC(=O)O 066625 [0,0,0,0,0,0|0,0,0]=0 24 B6R0.4 CCCCC(C)=O 098350 [0,0,0,0,0,0|1,0,0]=1 25 B6R0.4 CCCCC(C)N 214315 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.4 CCCCC(N)=O 176500 [0,0,0,0,0,0|1,0,0]=1 27 B6R0.4 CCCCN(C)C 115800 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.4 CCCC[C@@H](C)O 036116 [0,0,0,0,0,0|1,0,1]=2 29 B6R0.4 CCCNC(C)=O 099232 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.4 CCCNC(N)=S 018984 [0,0,0,0,0,0|2,1,0]=3 31 B6R0.4 CCCOC(C)=O 104128 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.4 CCOCC(=O)O 461062 [0,0,0,0,0,0|1,0,0]=1 33 B6R0.4 CCSCC(=O)O 001760 [0,0,0,0,0,0|1,0,0]=1 34 B6R0.4 CN(C)CCCBr 079586 [0,0,0,0,0,0|4,0,0]=4 35 B6R0.4 CN(C)CCCCl 240358 [0,0,0,0,0,0|4,0,0]=4 36 B6R0.4 CN(C)CCCN 094726 [0,0,0,0,0,0|4,0,0]=4 37 B6R0.4 CN(C)CCCO 242665 [0,0,0,0,0,0|4,0,0]=4 38 B6R0.4 CNCCC(C)C 321590 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.4 CNCCN(C)C 236768 [0,0,0,0,0,0|4,0,0]=4 40 B6R0.4 COCCC(=O)Cl 014676 [0,0,0,0,0,0|2,0,0]=2 41 B6R0.4 COCCC(=O)O 091199 [0,0,0,0,0,0|1,0,0]=1 42 B6R0.4 COCCC(N)=O 091205 [0,0,0,0,0,0|2,0,0]=2 43 B6R0.4 CO\C=C\C(C)=O 099154 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.4 CSCCC(=O)O 013666 [0,0,0,0,0,0|1,0,0]=1 45 B6R0.4 NC(=O)NCCO 319865 [0,0,0,0,0,0|3,0,0]=3 46 B6R0.4 NC(=O)OCCCl 103494 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.4 NCCCC(=O)O 005047 [0,0,0,0,0,0|1,0,0]=1 48 B6R0.4 NCCNC(N)=O 033079 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.4 O=C(Cl)CCCBr 001349 [0,0,0,0,0,0|2,0,0]=2 50 B6R0.4 O=C(Cl)CCCCl 099540 [0,0,0,0,0,0|2,0,0]=2 51 B6R0.4 O=C(O)CCCBr 043390 [0,0,0,0,0,0|1,0,0]=1 52 B6R0.4 O=C([O-])CNCO 226097 [0,0,0,0,0,0|2,0,1]=3 53 B6R0.4 O=CCCC(=O)O 103323 [0,0,0,0,0,0|1,0,1]=2 54 B5R0.1 C=C(C)CCBr 223736 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 C=C(C)CCO 358461 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 C=C(C)OCC 471668 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.1 CC#CC(=O)O 009075 [1,0,0,0,0,0|0,0,2]=3 58 B5R0.1 CC(=O)CCCl 069833 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.1 CC(=O)CCO 358442 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 CC(=O)NCO 430081 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.1 CC(O)CCO 099380 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 CCCB(O)O 092177 [1,0,0,0,0,0|1,0,1]=3 63 B5R0.1 CCCC(=O)Cl 098879 [1,0,0,0,0,0|1,0,0]=2 64 B5R0.1 CCCC(=O)O 102473 [1,0,0,0,0,0|0,0,0]=1 65 B5R0.1 CCCC(C)Br 024476 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 CCCC(C)Br BR1101 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 CCCC(C)C 098758 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 CCCC(C)N 097754 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.1 CCCC(C)O 099024 [1,0,0,0,0,0|1,0,1]=3 70 B5R0.1 CCCC(C)S 070734 [1,0,0,0,0,0|1,1,1]=4 71 B5R0.1 CCCC(N)=O 356018 [1,0,0,0,0,0|1,0,0]=2 72 B5R0.1 CCC[C@H](C)O 036089 [1,0,0,0,0,0|1,0,1]=3 73 B5R0.1 CCC[N+](=O)[O-] 520877 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.1 CCNC(N)=S 099168 [1,0,0,0,0,0|2,1,0]=4 75 B5R0.1 CCOC(=N)N 069301 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.1 CCOC(=O)Cl 099901 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.1 CCOC(C)=N 239394 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.1 CCOC(C)=O 035909 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.1 CCOC(C)=O 099553 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.1 CCOC(C)=O 099895 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.1 CCOC(N)=O 099367 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.1 CCSC(=N)N 358408 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.1 CNCC(=O)O 095119 [1,0,0,0,0,0|1,0,0]=2 84 B5R0.1 COCC(=O)Cl 053542 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.1 COCC(=O)O 237785 [1,0,0,0,0,0|1,0,0]=2 86 B5R0.1 COCC(C)=O 002450 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.1 COCC(C)O 093985 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.1 COC[C@@H](C)O 036090 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.1 CSCC(=O)O 010416 [1,0,0,0,0,0|1,0,0]=2 90 B5R0.1 CSCC(N)=O 092321 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.1 CSCS(C)=O 303199 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.1 C[C@@H](O)CCO 041923 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.1 C[C@H](O)CCO 041922 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.1 C\C=C\C(=O)Cl 358246 [1,0,0,0,0,0|1,0,2]=4 95 B5R0.1 C\C=C\C(=O)O 092792 [1,0,0,0,0,0|0,0,2]=3 96 B5R0.1 N#CCC(=O)O 098058 [1,0,0,0,0,0|1,0,1]=3 97 B5R0.1 N#CCC(N)=O 094603 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.1 NC(=O)CCBr 456436 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.1 NC(=O)CCCl 180018 [1,0,0,0,0,0|2,0,0]=3 100 B5R0.1 NCCC(=O)O 044720 [1,0,0,0,0,0|1,0,0]=2 101 B5R0.1 NCCC(N)=O 221578 [1,0,0,0,0,0|2,0,0]=3 102 B5R0.1 NOCC(=O)O 222804 [1,0,0,0,0,0|2,0,0]=3 103 B5R0.1 O=C(Cl)CCBr 104627 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.1 O=C(Cl)CCCl 095162 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.1 O=C(Cl)OCCl 320123 [1,0,0,0,0,0|3,0,0]=4 106 B5R0.1 O=C(O)CCBr 003025 [1,0,0,0,0,0|1,0,0]=2 107 B5R0.1 O=C(O)CCCl 242740 [1,0,0,0,0,0|1,0,0]=2 108 B5R0.1 O=C(O)CCI 003069 [1,0,0,0,0,0|1,0,0]=2 109 B5R0.1 O=C(O)CCO 147100 [1,0,0,0,0,0|1,0,0]=2 110 B5R0.1 O=C(O)CCS 094485 [1,0,0,0,0,0|1,0,0]=2 111 B5R0.1 O=[N+]([O-])CCO 358303 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.2 BrCCCCBr 004638 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.2 C#CCCCC 098932 [1,0,0,0,0,0|1,0,1]=3 114 B5R0.2 C#CCCCCl 120900 [1,0,0,0,0,0|2,0,1]=4 115 B5R0.2 C#CCCCO 164406 [1,0,0,0,0,0|0,0,3]=4 116 B5R0.2 C=CCCC#N 013686 [1,0,0,0,0,0|2,0,1]=4 117 B5R0.2 C=CCCC=C 106336 [1,0,0,0,0,0|1,0,2]=4 118 B5R0.2 C=CCCCBr 013455 [1,0,0,0,0,0|2,0,0]=3 119 B5R0.2 C=CCCCC 098845 [1,0,0,0,0,0|1,0,0]=2 120 B5R0.2 C=CCCCI 103315 [1,0,0,0,0,0|2,0,0]=3 121 B5R0.2 C=CCCCO 164000 [1,0,0,0,0,0|2,0,0]=3 122 B5R0.2 C=CCCNC 104185 [1,0,0,0,0,0|2,0,0]=3 123 B5R0.2 C=CCNC=O 065354 [1,0,0,0,0,0|1,0,2]=4 124 B5R0.2 C=COCCO 463043 [1,0,0,0,0,0|3,0,0]=4 125 B5R0.2 CC#CCCC 145600 [1,0,0,0,0,0|1,0,2]=4 126 B5R0.2 CC#CCCO 010354 [1,0,0,0,0,0|0,0,3]=4 127 B5R0.2 CCC#CCO 164400 [1,0,0,0,0,0|0,0,3]=4 128 B5R0.2 CCCCC#N 386692 [1,0,0,0,0,0|1,0,1]=3 129 B5R0.2 CCCCC=O 094967 [1,0,0,0,0,0|0,0,0]=1 130 B5R0.2 CCCCC=O 106333 [1,0,0,0,0,0|0,0,0]=1 131 B5R0.2 CCCCCBr 098930 [1,0,0,0,0,0|1,0,1]=3 132 B5R0.2 CCCCCC 094916 [1,0,0,0,0,0|1,0,1]=3 133 B5R0.2 CCCCCC 099897 [1,0,0,0,0,0|1,0,1]=3 134 B5R0.2 CCCCCC 102229 [1,0,0,0,0,0|1,0,1]=3 135 B5R0.2 CCCCCC 102412 [1,0,0,0,0,0|1,0,1]=3 136 B5R0.2 CCCCCI 349297 [1,0,0,0,0,0|1,0,1]=3 137 B5R0.2 CCCCCN 099587 [1,0,0,0,0,0|1,0,1]=3 138 B5R0.2 CCCCCO 101568 [1,0,0,0,0,0|0,0,1]=2 139 B5R0.2 CCCCNC 098817 [1,0,0,0,0,0|2,0,0]=3 140 B5R0.2 CCCCNN 324841 [1,0,0,0,0,0|2,0,0]=3 141 B5R0.2 CCCC[Zn]Br 213843 [1,0,0,0,0,0|2,0,0]=3 142 B5R0.2 CCCN=C=S 009571 [1,0,0,0,0,0|1,1,1]=4 143 B5R0.2 CCCNCC 099259 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.2 CCC\C=N\O 099610 [1,0,0,0,0,0|1,0,1]=3 145 B5R0.2 CCNCCO 094818 [1,0,0,0,0,0|1,0,1]=3 146 B5R0.2 CCOCCBr 001004 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.2 CCOCCN 374636 [1,0,0,0,0,0|2,0,1]=4 148 B5R0.2 CCOCCO 037421 [1,0,0,0,0,0|1,0,1]=3 149 B5R0.2 CCSCCCl 001741 [1,0,0,0,0,0|2,0,1]=4 150 B5R0.2 CCSCCN 390974 [1,0,0,0,0,0|2,0,1]=4 151 B5R0.2 CCSCCO 002951 [1,0,0,0,0,0|1,0,1]=3 152 B5R0.2 CC\C=C/CO 386381 [1,0,0,0,0,0|0,0,3]=4 153 B5R0.2 CC\C=C\C=O 466581 [1,0,0,0,0,0|0,0,2]=3 154 B5R0.2 CNCCC#N 242856 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.2 CNCCCN 300980 [1,0,0,0,0,0|2,0,1]=4 156 B5R0.2 CNCCCO 239815 [1,0,0,0,0,0|1,0,1]=3 157 B5R0.2 CNCCNC 043850 [1,0,0,0,0,0|3,0,0]=4 158 B5R0.2 CNCCOC 011340 [1,0,0,0,0,0|3,0,0]=4 159 B5R0.2 COCCC#N 154600 [1,0,0,0,0,0|2,0,1]=4 160 B5R0.2 COCCCBr 043598 [1,0,0,0,0,0|2,0,1]=4 161 B5R0.2 COCCCN 242837 [1,0,0,0,0,0|2,0,1]=4 162 B5R0.2 COCCCO 078666 [1,0,0,0,0,0|1,0,1]=3 163 B5R0.2 COCCOC 098861 [1,0,0,0,0,0|3,0,0]=4 164 B5R0.2 COCCOC 106693 [1,0,0,0,0,0|3,0,0]=4 165 B5R0.2 CSCCC=O 103329 [1,0,0,0,0,0|1,0,0]=2 166 B5R0.2 CSCCCN 103438 [1,0,0,0,0,0|2,0,1]=4 167 B5R0.2 CSCCCO 069294 [1,0,0,0,0,0|1,0,1]=3 168 B5R0.2 C\C=C\OCC 103024 [1,0,0,0,0,0|2,0,1]=4 169 B5R0.2 ClCCCCBr 235481 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.2 ClCCCCCl 099062 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.2 ClCCCCI 242676 [1,0,0,0,0,0|2,0,1]=4 172 B5R0.2 FCCCCBr 001725 [1,0,0,0,0,0|2,0,1]=4 173 B5R0.2 ICCCCI 239851 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.2 N#CCCCBr 001102 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.2 N#CCCCCl 097788 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.2 N#CCCCI 101902 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.2 NCCCCBr 227649 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.2 NCCCCN 098368 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.2 NCCCCO 036678 [1,0,0,0,0,0|1,0,1]=3 180 B5R0.2 O=C=NCCBr 098505 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.2 O=C=NCCCl 067807 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.2 OCCCCBr 036997 [1,0,0,0,0,0|1,0,1]=3 183 B5R0.2 OCCCCCl 097634 [1,0,0,0,0,0|1,0,1]=3 184 B5R0.2 SCCCCS 102622 [1,0,0,0,0,0|1,1,1]=4 185 B5R0.2 [C-]#[N+]CCCC 021027 [1,0,0,0,0,0|2,0,0]=3 186 B7R0.2 CCC(C)CC(=O)O 002768 [0,1,0,0,0,0|0,0,0]=1 187 B7R0.2 CCC(C)NC(C)=O 103813 [0,1,0,0,0,0|2,0,0]=3 188 B7R0.2 CNC(=O)CC(C)=O 240984 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.2 COC(=O)CC(=O)Cl 013167 [0,1,0,0,0,0|2,0,1]=4 190 B7R0.2 COC(=O)CC(=O)O 227679 [0,1,0,0,0,0|1,0,1]=3 191 B7R0.2 COC(=O)CC(=O)[O-] 092550 [0,1,0,0,0,0|1,0,2]=4 192 B7R0.2 COC(=O)CC(C)=O 094497 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.2 COC(=O)CC(N)=O 323080 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.2 NCC(O)CC(=O)O 093269 [0,1,0,0,0,0|1,0,0]=2 195 B7R0.3 C=CC(=O)NCCN 362041 [0,1,0,0,0,0|3,0,0]=4 196 B7R0.3 C=CCCC(=O)OC 540759 [0,1,0,0,0,0|0,0,2]=3 197 B7R0.3 C=CCOC(=O)OC 067150 [0,1,0,0,0,0|1,0,2]=4 198 B7R0.3 CCC(=O)NCCO 402339 [0,1,0,0,0,0|3,0,0]=4 199 B7R0.3 CCCCC(=O)OC 103432 [0,1,0,0,0,0|0,0,0]=1 200 B7R0.3 CCCC\C(C)=N\O 104327 [0,1,0,0,0,0|1,0,0]=2 201 B7R0.3 CCSCC(=O)OC 094646 [0,1,0,0,0,0|1,0,0]=2 202 B7R0.3 CC\C=C\C(=O)OC 011184 [0,1,0,0,0,0|0,0,2]=3 203 B7R0.3 COC(=O)CCC#N 156000 [0,1,0,0,0,0|1,0,1]=3 204 B7R0.3 COC(=O)CCCBr 214657 [0,1,0,0,0,0|1,0,0]=2 205 B7R0.3 COC(=O)CCCCl 386752 [0,1,0,0,0,0|1,0,0]=2 206 B7R0.3 COC(=O)CCCI 336691 [0,1,0,0,0,0|1,0,0]=2 207 B7R0.3 COC(=O)CCCN 009954 [0,1,0,0,0,0|1,0,0]=2 208 B7R0.3 COC(=O)CN=C=S 002598 [0,1,0,0,0,0|2,0,1]=4 209 B7R0.3 COC(=O)CN=[N+]=[N-] 047876 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.3 COC(=O)CNC=O 238980 [0,1,0,0,0,0|2,0,1]=4 211 B7R0.3 COC(=O)\C=C\CBr 049963 [0,1,0,0,0,0|1,0,2]=4 212 B7R0.3 COCCC(=O)NN 019318 [0,1,0,0,0,0|2,0,0]=3 213 B7R0.3 COCCC(=O)OC 349308 [0,1,0,0,0,0|1,0,0]=2 214 B7R0.3 CO\C=C\C(=O)OC 208663 [0,1,0,0,0,0|1,0,2]=4 215 B7R0.3 C\C=C\CC(=O)OC 099391 [0,1,0,0,0,0|0,0,2]=3 216 B7R0.3 NNC(=O)CCCO 368041 [0,1,0,0,0,0|2,0,0]=3 217 B7R0.4 C#CCCCC(=O)O 145705 [0,1,0,0,0,0|0,0,1]=2 218 B7R0.4 C=CCCCC(=O)O 200742 [0,1,0,0,0,0|0,0,1]=2 219 B7R0.4 C=CCNCC(=O)O 040171 [0,1,0,0,0,0|0,0,2]=3 220 B7R0.4 CC(=O)CCCC#N 095045 [0,1,0,0,0,0|1,0,1]=3 221 B7R0.4 CC(=O)CCCCCl 240931 [0,1,0,0,0,0|1,0,0]=2 222 B7R0.4 CC(=S)OCCCCl 102394 [0,1,0,0,0,0|2,1,0]=4 223 B7R0.4 CCCC#CC(=O)O 145700 [0,1,0,0,0,0|0,0,1]=2 224 B7R0.4 CCCCCB(O)O 208660 [0,1,0,0,0,0|1,0,1]=3 225 B7R0.4 CCCCCC(=O)Cl 099325 [0,1,0,0,0,0|1,0,0]=2 226 B7R0.4 CCCCCC(=O)O 066626 [0,1,0,0,0,0|0,0,0]=1 227 B7R0.4 CCCCCC(C)=O 104307 [0,1,0,0,0,0|1,0,0]=2 228 B7R0.4 CCCCCC(C)O 235688 [0,1,0,0,0,0|1,0,1]=3 229 B7R0.4 CCCCC[N+](=O)[O-] 106183 [0,1,0,0,0,0|1,0,1]=3 230 B7R0.4 CCCCNC(C)=O 103568 [0,1,0,0,0,0|1,0,0]=2 231 B7R0.4 CCCCNC(N)=S 018343 [0,1,0,0,0,0|1,1,0]=3 232 B7R0.4 CCCCOC(C)=O 098991 [0,1,0,0,0,0|1,0,0]=2 233 B7R0.4 CCCCOC(C)=O 102158 [0,1,0,0,0,0|1,0,0]=2 234 B7R0.4 CCCSCC(=O)O 311047 [0,1,0,0,0,0|0,0,0]=1 235 B7R0.4 CCC\C=C\C(=O)O 002797 [0,1,0,0,0,0|0,0,1]=2 236 B7R0.4 CCNCCN(C)C 402341 [0,1,0,0,0,0|3,0,0]=4 237 B7R0.4 CN(C)CCCCN 019580 [0,1,0,0,0,0|3,0,0]=4 238 B7R0.4 CNCCCN(C)C 065099 [0,1,0,0,0,0|3,0,0]=4 239 B7R0.4 COCCOC(=O)Cl 153600 [0,1,0,0,0,0|2,0,0]=3 240 B7R0.4 C\C=C\C=C\C(=O)O 104773 [0,1,0,0,0,0|0,0,3]=4 241 B7R0.4 NCCCCC(=O)O 226047 [0,1,0,0,0,0|0,0,0]=1 242 B7R0.4 NCCOCC(=O)O 046334 [0,1,0,0,0,0|1,0,0]=2 243 B7R0.4 O=C(Cl)CCCCBr 018324 [0,1,0,0,0,0|1,0,0]=2 244 B7R0.4 O=C(Cl)CCCCCl 013899 [0,1,0,0,0,0|1,0,0]=2 245 B7R0.4 O=C(O)CCCCBr 075266 [0,1,0,0,0,0|0,0,0]=1 246 B7R0.5 C=CCC(C)C(=O)O 239804 [0,1,0,0,0,0|0,0,2]=3 247 B7R0.5 C=CC[C@@H](N)C(=O)O 218874 [0,1,0,0,0,0|0,0,2]=3 248 B7R0.5 C=CC[C@H](N)C(=O)O 062238 [0,1,0,0,0,0|0,0,2]=3 249 B7R0.5 CC(NC=O)C(=O)O 329655 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.5 CCCC(=O)C(C)=O 099591 [0,1,0,0,0,0|1,0,1]=3 251 B7R0.5 CCCC(Br)C(=O)O 114500 [0,1,0,0,0,0|0,0,0]=1 252 B7R0.5 CCCC(C)C(=O)Cl 014675 [0,1,0,0,0,0|1,0,0]=2 253 B7R0.5 CCCC(C)C(=O)O 239960 [0,1,0,0,0,0|0,0,0]=1 254 B7R0.5 CCCC(C)C(N)=O 103248 [0,1,0,0,0,0|1,0,0]=2 255 B7R0.5 CCCC(N)C(=O)O 044733 [0,1,0,0,0,0|0,0,0]=1 256 B7R0.5 CCC[C@@H](N)C(=O)O 044736 [0,1,0,0,0,0|0,0,0]=1 257 B7R0.5 CCC[C@H](N)C(=O)O 036432 [0,1,0,0,0,0|0,0,0]=1 258 B7R0.5 CCOC(=O)C(=O)Cl 024489 [0,1,0,0,0,0|2,0,1]=4 259 B7R0.5 CCOC(=O)C(C)=O 033125 [0,1,0,0,0,0|2,0,1]=4 260 B7R0.5 CCOC(=O)C(N)=O 221464 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.5 CC\C=C(/C)C(=O)O 002778 [0,1,0,0,0,0|0,0,2]=3 262 B7R0.5 CC\C=C(/C)C(=O)O 102663 [0,1,0,0,0,0|0,0,2]=3 263 B7R0.5 COC[C@@H](N)C(=O)O 079034 [0,1,0,0,0,0|1,0,0]=2 264 B7R0.5 COC[C@H](N)C(=O)O 093724 [0,1,0,0,0,0|1,0,0]=2 265 B7R0.5 CSC[C@H](N)C(=O)O 045340 [0,1,0,0,0,0|1,0,0]=2 266 B7R0.5 NCC[C@H](N)C(=O)O 493318 [0,1,0,0,0,0|1,0,0]=2 267 B7R0.5 NCC[C@H](O)C(=O)O 011347 [0,1,0,0,0,0|1,0,0]=2 268 B7R0.5 N[C@@H](CCO)C(=O)O 040037 [0,1,0,0,0,0|1,0,0]=2 269 B7R0.6 CC(=O)CCC(=O)O 079484 [0,1,0,0,0,0|0,0,1]=2 270 B7R0.6 CC(=O)CCC(C)=O 494125 [0,1,0,0,0,0|1,0,1]=3 271 B7R0.6 CC(=O)CCC(C)C 106440 [0,1,0,0,0,0|1,0,0]=2 272 B7R0.6 CC(=O)CCN(C)C 043224 [0,1,0,0,0,0|2,0,0]=3 273 B7R0.6 CC(=O)NCC(=O)O 097974 [0,1,0,0,0,0|1,0,1]=3 274 B7R0.6 CC(=O)NCC(C)C 103683 [0,1,0,0,0,0|2,0,0]=3 275 B7R0.6 CC(=O)OCC(=O)O 228175 [0,1,0,0,0,0|1,0,1]=3 276 B7R0.6 CC(=O)OCC(C)C 095004 [0,1,0,0,0,0|2,0,0]=3 277 B7R0.6 CC(C)COC(=O)Cl 046752 [0,1,0,0,0,0|2,0,0]=3 278 B7R0.6 CC(C)SCC(=O)O 311009 [0,1,0,0,0,0|1,0,0]=2 279 B7R0.6 CC(C)\C=C\C(=O)O 011183 [0,1,0,0,0,0|0,0,2]=3 280 B7R0.6 CC(O)CCC(C)O 241359 [0,1,0,0,0,0|1,0,1]=3 281 B7R0.6 CN(C)CCC(=O)O 046799 [0,1,0,0,0,0|1,0,0]=2 282 B7R0.6 N=C(N)NCC(=O)O 450285 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.6 N=C(O)CCC(=O)O 103305 [0,1,0,0,0,0|1,0,1]=3 284 B7R0.6 NC(=O)CCC(N)=O 099420 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.6 NC(=O)NCC(=O)O 066647 [0,1,0,0,0,0|2,0,1]=4 286 B7R0.6 O=C(Cl)CCC(=O)Cl 099029 [0,1,0,0,0,0|2,0,1]=4 287 B7R0.6 O=C(O)CCC(=O)O 104604 [0,1,0,0,0,0|1,0,1]=3 288 B7R0.6 O=C(O)CCC(=O)O 239121 [0,1,0,0,0,0|1,0,1]=3 289 B7R0.6 O=C(O)CC[N+](=O)[O-] 035948 [0,1,0,0,0,0|2,0,0]=3 290 B7R0.6 O=C([O-])CCC(=O)O 103570 [0,1,0,0,0,0|1,0,1]=3 291 B7R0.8 CCCCS(=O)(=O)Cl 021387 [0,1,0,0,0,0|1,0,1]=3 292 B7R0.8 CCCCS(N)(=O)=O 034678 [0,1,0,0,0,0|1,0,1]=3 293 B7R0.8 CCCC[Si](C)(C)Cl 005254 [0,1,0,0,0,0|2,1,0]=4 294 B7R0.8 CNCCS(=O)(=O)[O-] 227473 [0,1,0,0,0,0|2,0,1]=4 295 B7R0.8 CS(=O)(=O)CCCO 233969 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.8 NCCCP(=O)(O)O 077716 [0,1,0,0,0,0|2,0,0]=3 297 B7R0.8 NCCCS(=O)(=O)O 358464 [0,1,0,0,0,0|2,0,0]=3 298 B7R0.8 NCCOP(=O)(O)O 010650 [0,1,0,0,0,0|3,0,0]=4 299 B7R0.8 NCCOS(=O)(=O)O 226245 [0,1,0,0,0,0|3,0,0]=4 300 B7R0.8 O=S(=O)(Cl)CCCCl 049263 [0,1,0,0,0,0|2,0,1]=4 301 B7R0.8 O=S(=O)([O-])CCCO 239232 [0,1,0,0,0,0|2,0,1]=4 302 B7R0.8 O=S(=O)([O-])CCCS 005925 [0,1,0,0,0,0|2,0,1]=4 303 B7R1.2 CC1=CC(=O)CC1 078668 [0,0,0,1,0,0|1,0,1]=3 304 B7R1.2 CC1=CCC(=O)O1 098871 [0,0,0,1,0,0|0,0,2]=3 305 B7R1.2 CC1=CCC(=O)O1 107050 [0,0,0,1,0,0|0,0,2]=3 306 B7R1.2 CC1CCC(=O)N1 232918 [0,0,0,1,0,0|1,0,0]=2 307 B7R1.2 CC1CCC(=O)O1 243089 [0,0,0,1,0,0|0,0,0]=1 308 B7R1.2 CC1CCC(C)N1 105831 [0,0,0,1,0,0|2,0,1]=4 309 B7R1.2 CC1CCC(O)C1 013642 [0,0,0,1,0,0|1,0,1]=3 310 B7R1.2 CC1COC(=O)O1 044922 [0,0,0,1,0,0|1,0,0]=2 311 B7R1.2 CN1CCC(O)C1 040009 [0,0,0,1,0,0|2,0,1]=4 312 B7R1.2 CN1CC[C@H](O)C1 092713 [0,0,0,1,0,0|2,0,1]=4 313 B7R1.2 C[C@@H]1COC(=O)O1 237778 [0,0,0,1,0,0|1,0,0]=2 314 B7R1.2 O=C1CCC(=O)C1 024257 [0,0,0,1,0,0|2,0,1]=4 315 B7R1.2 O=C1CCC(=O)N1 095806 [0,0,0,1,0,0|2,0,1]=4 316 B7R1.2 O=C1CCC(=O)O1 339548 [0,0,0,1,0,0|1,0,1]=3 317 B7R1.2 O=C1C[C@@H](O)CN1 047704 [0,0,0,1,0,0|3,0,0]=4 318 B7R1.2 O=C1C[C@H](O)CN1 093766 [0,0,0,1,0,0|3,0,0]=4 319 B7R1.2 O=C1OCC(F)O1 098380 [0,0,0,1,0,0|2,0,0]=3 320 B7R1.2 OC1CCC(O)C1 501728 [0,0,0,1,0,0|2,0,1]=4 321 B7R1.3 BrC1CCCCC1 097678 [0,0,0,1,0,0|2,0,1]=4 322 B7R1.3 C=C1CCCCC1 238843 [0,0,0,1,0,0|2,0,0]=3 323 B7R1.3 CC1=CCCCC1 098887 [0,0,0,1,0,0|2,0,0]=3 324 B7R1.3 CC1CCCCC1 013924 [0,0,0,1,0,0|2,0,1]=4 325 B7R1.3 CC1CCCCN1 098820 [0,0,0,1,0,0|2,0,1]=4 326 B7R1.3 CC1CNCCO1 075555 [0,0,0,1,0,0|2,0,1]=4 327 B7R1.3 CN1CCCCC1 098869 [0,0,0,1,0,0|3,0,0]=4 328 B7R1.3 C[C@H]1CNCCO1 076728 [0,0,0,1,0,0|2,0,1]=4 329 B7R1.3 ClC1CCCCC1 494120 [0,0,0,1,0,0|2,0,1]=4 330 B7R1.3 IC1CCCCC1 095024 [0,0,0,1,0,0|2,0,1]=4 331 B7R1.3 N=C1CCCCN1 437867 [0,0,0,1,0,0|2,0,0]=3 332 B7R1.3 NC1CCCCC1 005016 [0,0,0,1,0,0|2,0,1]=4 333 B7R1.3 NC1CCCCC1 094537 [0,0,0,1,0,0|2,0,1]=4 334 B7R1.3 NC1CCCCC1 123312 [0,0,0,1,0,0|2,0,1]=4 335 B7R1.3 NN1CCCCC1 235886 [0,0,0,1,0,0|3,0,0]=4 336 B7R1.3 O=C1C=CCCC1 040004 [0,0,0,1,0,0|1,0,1]=3 337 B7R1.3 O=C1CCCCC1 046757 [0,0,0,1,0,0|1,0,0]=2 338 B7R1.3 O=C1CCCCC1 101607 [0,0,0,1,0,0|1,0,0]=2 339 B7R1.3 O=C1CCCCN1 043484 [0,0,0,1,0,0|1,0,0]=2 340 B7R1.3 O=C1CCCCO1 448260 [0,0,0,1,0,0|0,0,0]=1 341 B7R1.3 O=C1CCCNC1 078172 [0,0,0,1,0,0|2,0,0]=3 342 B7R1.3 O=C1CCCOC1 070460 [0,0,0,1,0,0|2,0,0]=3 343 B7R1.3 O=C1CCNCC1 008861 [0,0,0,1,0,0|2,0,0]=3 344 B7R1.3 O=C1CCOCC1 036435 [0,0,0,1,0,0|2,0,0]=3 345 B7R1.3 O=C1CCSCC1 069034 [0,0,0,1,0,0|2,0,0]=3 346 B7R1.3 O=C1CNCCN1 031681 [0,0,0,1,0,0|2,0,0]=3 347 B7R1.3 O=C1COCCN1 038232 [0,0,0,1,0,0|2,0,0]=3 348 B7R1.3 O=C1COCCO1 242965 [0,0,0,1,0,0|1,0,0]=2 349 B7R1.3 O=C1NCCCN1 208604 [0,0,0,1,0,0|2,0,0]=3 350 B7R1.3 OC1CCCCC1 094602 [0,0,0,1,0,0|1,0,1]=3 351 B7R1.3 OC1CCCCO1 068766 [0,0,0,1,0,0|0,0,2]=3 352 B7R1.3 OC1CCCNC1 011774 [0,0,0,1,0,0|2,0,1]=4 353 B7R1.3 OC1CCCNC1 068876 [0,0,0,1,0,0|2,0,1]=4 354 B7R1.3 OC1CCCOC1 047681 [0,0,0,1,0,0|2,0,1]=4 355 B7R1.3 OC1CCNCC1 043869 [0,0,0,1,0,0|2,0,1]=4 356 B7R1.3 OC1CCOCC1 068764 [0,0,0,1,0,0|2,0,1]=4 357 B7R1.3 O[C@@H]1CCCNC1 011776 [0,0,0,1,0,0|2,0,1]=4 358 B7R1.3 O[C@H]1CCCNC1 011775 [0,0,0,1,0,0|2,0,1]=4 359 B7R1.3 S=C1NCCCN1 018995 [0,0,0,1,0,0|2,1,0]=4 360 B7R1.3 SC1CCCCC1 099097 [0,0,0,1,0,0|1,1,1]=4 361 B7R1.7 CCCCC1CO1 099159 [0,0,0,1,0,0|1,0,1]=3 362 B7R1.14 CC1(O)CCCC1 078752 [0,0,0,1,0,0|1,0,1]=3 363 B7R1.14 O=S1(=O)CCCC1 044698 [0,0,0,1,0,0|1,0,1]=3 364 B7R1.14 O=S1(=O)CCCC1 102836 [0,0,0,1,0,0|1,0,1]=3 365 B7R1.14 O=S1(=O)CCCO1 047727 [0,0,0,1,0,0|2,0,1]=4 366 B7R1.18 CC(=O)C1CCC1 513334 [0,0,0,1,0,0|1,0,0]=2 367 B7R1.18 NC(=O)C1CCC1 243268 [0,0,0,1,0,0|1,0,0]=2 368 B7R1.18 O=C(Cl)C1CCC1 009110 [0,0,0,1,0,0|1,0,0]=2 369 B7R1.18 O=C(O)C1CCC1 003366 [0,0,0,1,0,0|0,0,0]=1 370 B7R1.18 O=C(O)C1CCN1 047646 [0,0,0,1,0,0|1,0,0]=2 371 B7R1.18 O=C(O)C1CNC1 035210 [0,0,0,1,0,0|1,0,0]=2 372 B7R1.18 O=C(O)C1CNC1 040102 [0,0,0,1,0,0|1,0,0]=2 373 B7R1.18 OB(O)C1CCC1 230473 [0,0,0,1,0,0|1,0,1]=3 374 B7R1.20 CC(=O)NC1CC1 103802 [0,0,0,1,0,0|2,0,0]=3 375 B7R1.20 O=C(O)CC1CC1 003710 [0,0,0,1,0,0|0,0,0]=1 376 B4R0.1 C#CC(=O)O 167900 [2,0,0,0,0,0|0,0,2]=4 377 B4R0.1 C=CC(=O)O 099597 [2,0,0,0,0,0|0,0,2]=4 378 B4R0.1 CC(=O)CCl 099980 [2,0,0,0,0,0|2,0,0]=4 379 B4R0.1 CC(=O)CN 078537 [2,0,0,0,0,0|2,0,0]=4 380 B4R0.1 CC(=O)CO 097598 [2,0,0,0,0,0|2,0,0]=4 381 B4R0.1 CCB(O)O 065613 [2,0,0,0,0,0|1,0,1]=4 382 B4R0.1 CCC(=O)Br BR1194 [2,0,0,0,0,0|1,0,0]=3 383 B4R0.1 CCC(=O)Cl 098881 [2,0,0,0,0,0|1,0,0]=3 384 B4R0.1 CCC(=O)O 098214 [2,0,0,0,0,0|0,0,0]=2 385 B4R0.1 CCC(=O)O 104856 [2,0,0,0,0,0|0,0,0]=2 386 B4R0.1 CCC(=O)[O-] 105990 [2,0,0,0,0,0|0,0,1]=3 387 B4R0.1 CCC(=O)[O-] 106505 [2,0,0,0,0,0|0,0,1]=3 388 B4R0.1 CCC(C)=O 046806 [2,0,0,0,0,0|1,0,0]=3 389 B4R0.1 CCC(C)=O 075238 [2,0,0,0,0,0|1,0,0]=3 390 B4R0.1 CCC(C)=O 101973 [2,0,0,0,0,0|1,0,0]=3 391 B4R0.1 CCC(C)=O 102570 [2,0,0,0,0,0|1,0,0]=3 392 B4R0.1 CCC(C)O 080268 [2,0,0,0,0,0|1,0,1]=4 393 B4R0.1 CCC(N)=O 069325 [2,0,0,0,0,0|1,0,0]=3 394 B4R0.1 CCS(=O)[O-] 035597 [2,0,0,0,0,0|1,0,1]=4 395 B4R0.1 CC[C@H](C)O 036066 [2,0,0,0,0,0|1,0,1]=4 396 B4R0.1 CNC(=O)Cl 358405 [2,0,0,0,0,0|2,0,0]=4 397 B4R0.1 CNC(C)=O 154700 [2,0,0,0,0,0|2,0,0]=4 398 B4R0.1 CNC(N)=O 227727 [2,0,0,0,0,0|2,0,0]=4 399 B4R0.1 COC(=O)Cl 099160 [2,0,0,0,0,0|2,0,0]=4 400 B4R0.1 COC(C)=O 098761 [2,0,0,0,0,0|2,0,0]=4 401 B4R0.1 COC(N)=O 080112 [2,0,0,0,0,0|2,0,0]=4 402 B4R0.1 NC(=O)CBr 091505 [2,0,0,0,0,0|2,0,0]=4 403 B4R0.1 NC(=O)CCl 079297 [2,0,0,0,0,0|2,0,0]=4 404 B4R0.1 NC(=O)CI 001085 [2,0,0,0,0,0|2,0,0]=4 405 B4R0.1 NC(=O)CS 069297 [2,0,0,0,0,0|2,0,0]=4 406 B4R0.1 NCC(=O)O 105741 [2,0,0,0,0,0|1,0,0]=3 407 B4R0.1 NCC(=O)O 229198 [2,0,0,0,0,0|1,0,0]=3 408 B4R0.1 NCC(=O)O M03001 [2,0,0,0,0,0|1,0,0]=3 409 B4R0.1 NCC(=O)[O-] 240909 [2,0,0,0,0,0|1,0,1]=4 410 B4R0.1 NCC(N)=O 078516 [2,0,0,0,0,0|2,0,0]=4 411 B4R0.1 O=C(Br)CBr 004136 [2,0,0,0,0,0|2,0,0]=4 412 B4R0.1 O=C(Cl)CBr 109400 [2,0,0,0,0,0|2,0,0]=4 413 B4R0.1 O=C(Cl)CCl 098899 [2,0,0,0,0,0|2,0,0]=4 414 B4R0.1 O=C(Cl)CCl 099381 [2,0,0,0,0,0|2,0,0]=4 415 B4R0.1 O=C(O)CBr 004135 [2,0,0,0,0,0|1,0,0]=3 416 B4R0.1 O=C(O)CCl 095375 [2,0,0,0,0,0|1,0,0]=3 417 B4R0.1 O=C(O)CI 520348 [2,0,0,0,0,0|1,0,0]=3 418 B4R0.1 O=C(O)CO 058235 [2,0,0,0,0,0|1,0,0]=3 419 B4R0.1 O=C(O)CO 103022 [2,0,0,0,0,0|1,0,0]=3 420 B4R0.1 O=C(O)CS 097732 [2,0,0,0,0,0|1,0,0]=3 421 B4R0.1 O=C([O-])CCl 099322 [2,0,0,0,0,0|1,0,1]=4 422 B4R0.1 O=C([O-])CO 195404 [2,0,0,0,0,0|1,0,1]=4 423 B4R0.1 O=C([O-])CS 106508 [2,0,0,0,0,0|1,0,1]=4 424 B4R0.1 O=CC(=O)O 095359 [2,0,0,0,0,0|1,0,1]=4 425 B4R0.1 [15NH2][13CH2]C(=O)O 103447 [2,0,0,0,0,0|1,0,0]=3 426 B4R0.2 BrCCCBr 003830 [2,0,0,0,0,0|2,0,0]=4 427 B4R0.2 C#CCCC 164100 [2,0,0,0,0,0|0,0,2]=4 428 B4R0.2 C#CCCO 009077 [2,0,0,0,0,0|0,0,2]=4 429 B4R0.2 C=CCCBr 010654 [2,0,0,0,0,0|1,0,1]=4 430 B4R0.2 C=CCCCl 106339 [2,0,0,0,0,0|1,0,1]=4 431 B4R0.2 C=CCCI 103032 [2,0,0,0,0,0|1,0,1]=4 432 B4R0.2 C=CCCO 114900 [2,0,0,0,0,0|0,0,2]=4 433 B4R0.2 C=CCNC 069326 [2,0,0,0,0,0|1,0,1]=4 434 B4R0.2 C=CCSC 106338 [2,0,0,0,0,0|1,0,1]=4 435 B4R0.2 CC#CCO 009076 [2,0,0,0,0,0|0,0,2]=4 436 B4R0.2 CCCC#N 046731 [2,0,0,0,0,0|1,0,1]=4 437 B4R0.2 CCCC=O 094987 [2,0,0,0,0,0|0,0,0]=2 438 B4R0.2 CCCCBr 098944 [2,0,0,0,0,0|1,0,0]=3 439 B4R0.2 CCCCC 995196 [2,0,0,0,0,0|0,0,1]=3 440 B4R0.2 CCCCI 094442 [2,0,0,0,0,0|1,0,0]=3 441 B4R0.2 CCCCN 094792 [2,0,0,0,0,0|1,0,0]=3 442 B4R0.2 CCCCO 035921 [2,0,0,0,0,0|0,0,0]=2 443 B4R0.2 CCCCO 075156 [2,0,0,0,0,0|0,0,0]=2 444 B4R0.2 CCCCO 101601 [2,0,0,0,0,0|0,0,0]=2 445 B4R0.2 CCCCS 046727 [2,0,0,0,0,0|0,1,0]=3 446 B4R0.2 CCCC[Mg+] 102041 [2,0,0,0,0,0|1,0,0]=3 447 B4R0.2 CCCC[S-] 104802 [2,0,0,0,0,0|0,1,0]=3 448 B4R0.2 CCCNC 056258 [2,0,0,0,0,0|1,0,1]=4 449 B4R0.2 CCNC=O 099258 [2,0,0,0,0,0|1,0,0]=3 450 B4R0.2 CCNCC 043314 [2,0,0,0,0,0|1,0,1]=4 451 B4R0.2 CCNCC 129100 [2,0,0,0,0,0|1,0,1]=4 452 B4R0.2 CCOC=N 099169 [2,0,0,0,0,0|2,0,0]=4 453 B4R0.2 CCOC=O 044728 [2,0,0,0,0,0|1,0,0]=3 454 B4R0.2 CCOCC 075236 [2,0,0,0,0,0|1,0,1]=4 455 B4R0.2 CCOCC 099494 [2,0,0,0,0,0|1,0,1]=4 456 B4R0.2 CCOCC 101608 [2,0,0,0,0,0|1,0,1]=4 457 B4R0.2 CCOCC 105564 [2,0,0,0,0,0|1,0,1]=4 458 B4R0.2 CCOCCl 005431 [2,0,0,0,0,0|2,0,0]=4 459 B4R0.2 CC[SiH2]CC S06500 [2,0,0,0,0,0|0,1,1]=4 460 B4R0.2 CC[Zn]CC 098867 [2,0,0,0,0,0|1,0,1]=4 461 B4R0.2 CC[Zn]CC 098978 [2,0,0,0,0,0|1,0,1]=4 462 B4R0.2 CNCCN 094592 [2,0,0,0,0,0|2,0,0]=4 463 B4R0.2 CNCCO 095022 [2,0,0,0,0,0|1,0,0]=3 464 B4R0.2 COCCBr 005433 [2,0,0,0,0,0|2,0,0]=4 465 B4R0.2 COCCN 046846 [2,0,0,0,0,0|2,0,0]=4 466 B4R0.2 COCCO 043320 [2,0,0,0,0,0|1,0,0]=3 467 B4R0.2 COCCO 102150 [2,0,0,0,0,0|1,0,0]=3 468 B4R0.2 CSCCCl 044921 [2,0,0,0,0,0|2,0,0]=4 469 B4R0.2 CSCCO 003087 [2,0,0,0,0,0|1,0,0]=3 470 B4R0.2 C\C=C\C=O 245633 [2,0,0,0,0,0|0,0,2]=4 471 B4R0.2 C\C=C\CO 103771 [2,0,0,0,0,0|0,0,2]=4 472 B4R0.2 ClCCCBr 094507 [2,0,0,0,0,0|2,0,0]=4 473 B4R0.2 ClCCCCl 101461 [2,0,0,0,0,0|2,0,0]=4 474 B4R0.2 ClCCCI 001486 [2,0,0,0,0,0|2,0,0]=4 475 B4R0.2 FCCCI 095368 [2,0,0,0,0,0|2,0,0]=4 476 B4R0.2 ICCCI 003098 [2,0,0,0,0,0|2,0,0]=4 477 B4R0.2 N#CCCO 005000 [2,0,0,0,0,0|1,0,1]=4 478 B4R0.2 NCCCBr 079493 [2,0,0,0,0,0|2,0,0]=4 479 B4R0.2 NCCCCl 095817 [2,0,0,0,0,0|2,0,0]=4 480 B4R0.2 NCCCN 094590 [2,0,0,0,0,0|2,0,0]=4 481 B4R0.2 NCCCO 099680 [2,0,0,0,0,0|1,0,0]=3 482 B4R0.2 NNCCO 069293 [2,0,0,0,0,0|2,0,0]=4 483 B4R0.2 OCCCBr 047460 [2,0,0,0,0,0|1,0,0]=3 484 B4R0.2 OCCCCl 024840 [2,0,0,0,0,0|1,0,0]=3 485 B4R0.2 OCCCF 010306 [2,0,0,0,0,0|1,0,0]=3 486 B4R0.2 OCCCI 002583 [2,0,0,0,0,0|1,0,0]=3 487 B4R0.2 OCCCO 095066 [2,0,0,0,0,0|1,0,0]=3 488 B4R0.2 SCCCCl 099136 [2,0,0,0,0,0|1,1,0]=4 489 B4R0.2 SCCCS 101936 [2,0,0,0,0,0|1,1,0]=4 490 B4R0.2 [Li]CCCC 044819 [2,0,0,0,0,0|1,0,0]=3 491 B6R0.1 C#CC(=O)OCC 003001 [1,1,0,0,0,0|2,0,0]=4 492 B6R0.1 C=CC(=O)OCC 094594 [1,1,0,0,0,0|2,0,0]=4 493 B6R0.1 C=CC(O)CCC 241561 [1,1,0,0,0,0|1,0,1]=4 494 B6R0.1 C=CCC(=O)OC 513980 [1,1,0,0,0,0|0,0,2]=4 495 B6R0.1 CC#CC(=O)OC 155800 [1,1,0,0,0,0|0,0,2]=4 496 B6R0.1 CCCC(=O)NN 018345 [1,1,0,0,0,0|1,0,0]=3 497 B6R0.1 CCCC(=O)OC 358407 [1,1,0,0,0,0|0,0,0]=2 498 B6R0.1 CCCC(C)C=O 520881 [1,1,0,0,0,0|1,0,1]=4 499 B6R0.1 CCCC(O)CO 242929 [1,1,0,0,0,0|0,0,2]=4 500 B6R0.1 CCNC(=O)CCl 069838 [1,1,0,0,0,0|2,0,0]=4 501 B6R0.1 CCNC(=O)CN 075036 [1,1,0,0,0,0|2,0,0]=4 502 B6R0.1 CCNC(=O)OC 104168 [1,1,0,0,0,0|1,0,0]=3 503 B6R0.1 CCOC(=O)C#N 046945 [1,1,0,0,0,0|2,0,0]=4 504 B6R0.1 CCOC(=O)C=O 079534 [1,1,0,0,0,0|1,0,1]=4 505 B6R0.1 CCOC(=O)CBr 006091 [1,1,0,0,0,0|2,0,0]=4 506 B6R0.1 CCOC(=O)CC 094652 [1,1,0,0,0,0|2,0,0]=4 507 B6R0.1 CCOC(=O)CCl 097784 [1,1,0,0,0,0|2,0,0]=4 508 B6R0.1 CCOC(=O)CF 019465 [1,1,0,0,0,0|2,0,0]=4 509 B6R0.1 CCOC(=O)CI 324768 [1,1,0,0,0,0|2,0,0]=4 510 B6R0.1 CCOC(=O)CN 094472 [1,1,0,0,0,0|2,0,0]=4 511 B6R0.1 CCOC(=O)CO 227697 [1,1,0,0,0,0|1,0,0]=3 512 B6R0.1 CCOC(=O)CS 099611 [1,1,0,0,0,0|1,1,0]=4 513 B6R0.1 CCOC(=O)NN 208618 [1,1,0,0,0,0|2,0,0]=4 514 B6R0.1 CCO\C(C)=N/O 036372 [1,1,0,0,0,0|2,0,0]=4 515 B6R0.1 CC\C=C(/C)C=O 103302 [1,1,0,0,0,0|1,0,1]=4 516 B6R0.1 CNC(=O)CCBr 104783 [1,1,0,0,0,0|2,0,0]=4 517 B6R0.1 CNCC(=O)OC M03234 [1,1,0,0,0,0|1,0,0]=3 518 B6R0.1 COC(=O)CC#N 034870 [1,1,0,0,0,0|1,0,1]=4 519 B6R0.1 COC(=O)CCBr 216315 [1,1,0,0,0,0|1,0,0]=3 520 B6R0.1 COC(=O)CCI 103108 [1,1,0,0,0,0|1,0,0]=3 521 B6R0.1 COC(=O)CCN 032703 [1,1,0,0,0,0|1,0,0]=3 522 B6R0.1 COC(=O)CCO 223297 [1,1,0,0,0,0|1,0,0]=3 523 B6R0.1 COC(=O)CCS 053164 [1,1,0,0,0,0|1,0,0]=3 524 B6R0.1 COC(=O)CSC 002978 [1,1,0,0,0,0|1,0,0]=3 525 B6R0.1 COCC(=O)NN 005975 [1,1,0,0,0,0|2,0,0]=4 526 B6R0.1 COCC(=O)OC 358440 [1,1,0,0,0,0|1,0,0]=3 527 B6R0.1 C\C=C\C(=O)OC 236942 [1,1,0,0,0,0|0,0,2]=4 528 B6R0.1 [C-]#[N+]CC(=O)OC 358364 [1,1,0,0,0,0|1,0,1]=4 529 B6R0.2 CC(=O)CC(C)=O 100600 [1,1,0,0,0,0|1,0,1]=4 530 B6R0.2 CC(=O)CC(C)C 044985 [1,1,0,0,0,0|1,0,0]=3 531 B6R0.2 CC(=O)CC(C)C 102383 [1,1,0,0,0,0|1,0,0]=3 532 B6R0.2 CC(=O)CC(N)=O 444419 [1,1,0,0,0,0|1,0,1]=4 533 B6R0.2 CC(=O)NC(C)C 208609 [1,1,0,0,0,0|2,0,0]=4 534 B6R0.2 CC(=O)OC(C)C 099370 [1,1,0,0,0,0|2,0,0]=4 535 B6R0.2 CC(C)=CC(=O)O 208603 [1,1,0,0,0,0|0,0,2]=4 536 B6R0.2 CC(C)CB(O)O 045297 [1,1,0,0,0,0|1,0,1]=4 537 B6R0.2 CC(C)CC(=O)Cl 520885 [1,1,0,0,0,0|1,0,0]=3 538 B6R0.2 CC(C)CC(=O)O 242835 [1,1,0,0,0,0|0,0,0]=2 539 B6R0.2 CC(C)CC(C)O 242810 [1,1,0,0,0,0|1,0,1]=4 540 B6R0.2 CC(C)CC(N)=O 342138 [1,1,0,0,0,0|1,0,0]=3 541 B6R0.2 CC(C)CS(=O)[O-] 070723 [1,1,0,0,0,0|1,0,1]=4 542 B6R0.2 CC(C)NC(N)=O 101565 [1,1,0,0,0,0|2,0,0]=4 543 B6R0.2 CC(Cl)OC(=O)Cl 019459 [1,1,0,0,0,0|2,0,0]=4 544 B6R0.2 CC(N)CC(=O)O 208617 [1,1,0,0,0,0|0,0,0]=2 545 B6R0.2 CN(C)CC(=O)O 044353 [1,1,0,0,0,0|1,0,0]=3 546 B6R0.2 CN(C)CC(=O)O 216339 [1,1,0,0,0,0|1,0,0]=3 547 B6R0.2 C[C@@H](N)CC(=O)O 034436 [1,1,0,0,0,0|0,0,0]=2 548 B6R0.2 C[C@@H](N)CC(=O)O 078594 [1,1,0,0,0,0|0,0,0]=2 549 B6R0.2 O=C(O)CC(=O)O 020000 [1,1,0,0,0,0|1,0,1]=4 550 B6R0.3 CC(CN)C(=O)O 226386 [1,1,0,0,0,0|1,0,0]=3 551 B6R0.3 CCC(=O)C(C)=O 464570 [1,1,0,0,0,0|1,0,1]=4 552 B6R0.3 CCC(Br)C(=O)Br 241269 [1,1,0,0,0,0|1,0,0]=3 553 B6R0.3 CCC(Br)C(=O)O 242857 [1,1,0,0,0,0|0,0,0]=2 554 B6R0.3 CCC(C)B(O)O 208610 [1,1,0,0,0,0|1,0,1]=4 555 B6R0.3 CCC(C)C(=O)Cl 102938 [1,1,0,0,0,0|1,0,0]=3 556 B6R0.3 CCC(C)C(=O)O 155900 [1,1,0,0,0,0|0,0,0]=2 557 B6R0.3 CCC(C)C(C)O 103328 [1,1,0,0,0,0|1,0,1]=4 558 B6R0.3 CCC(C)C(N)=O 102996 [1,1,0,0,0,0|1,0,0]=3 559 B6R0.3 CCC(N)C(=O)O M01290 [1,1,0,0,0,0|0,0,0]=2 560 B6R0.3 CC[C@@H](N)C(=O)O 044880 [1,1,0,0,0,0|0,0,0]=2 561 B6R0.3 CC[C@H](N)C(=O)O 024718 [1,1,0,0,0,0|0,0,0]=2 562 B6R0.3 CNC(=O)C(=O)O 023479 [1,1,0,0,0,0|1,0,1]=4 563 B6R0.3 CNC(C)C(=O)O 075290 [1,1,0,0,0,0|1,0,0]=3 564 B6R0.3 CN[C@@H](C)C(=O)O 075289 [1,1,0,0,0,0|1,0,0]=3 565 B6R0.3 CN[C@H](C)C(=O)O 075291 [1,1,0,0,0,0|1,0,0]=3 566 B6R0.3 C[C@@H](CN)C(=O)O 215235 [1,1,0,0,0,0|1,0,0]=3 567 B6R0.3 C\C=C(/C)C(=O)O 099810 [1,1,0,0,0,0|0,0,2]=4 568 B6R0.3 NC(=O)[C@@H](N)CO 217138 [1,1,0,0,0,0|2,0,0]=4 569 B6R0.3 NC(CO)C(=O)O 093750 [1,1,0,0,0,0|1,0,0]=3 570 B6R0.3 NC(CS)C(=O)O 241173 [1,1,0,0,0,0|1,0,0]=3 571 B6R0.3 NC[C@H](O)C(=O)O 222535 [1,1,0,0,0,0|1,0,0]=3 572 B6R0.3 N[C@@H](CO)C(=O)O 043859 [1,1,0,0,0,0|1,0,0]=3 573 B6R0.3 N[C@@H](CS)C(=O)O 093727 [1,1,0,0,0,0|1,0,0]=3 574 B6R0.3 N[C@@H](CS)C(=O)O 102087 [1,1,0,0,0,0|1,0,0]=3 575 B6R0.3 N[C@@H](CS)C(=O)O 318726 [1,1,0,0,0,0|1,0,0]=3 576 B6R0.3 N[C@@H](CS)C(=O)O M03086 [1,1,0,0,0,0|1,0,0]=3 577 B6R0.3 N[C@H](CO)C(=O)O 011887 [1,1,0,0,0,0|1,0,0]=3 578 B6R0.3 N[C@H](CS)C(=O)O 036386 [1,1,0,0,0,0|1,0,0]=3 579 B6R0.3 N[C@H](CS)C(=O)O 049424 [1,1,0,0,0,0|1,0,0]=3 580 B6R0.3 O=C(O)C(Br)CBr 077984 [1,1,0,0,0,0|1,0,0]=3 581 B6R0.3 O=C(O)C(O)CO 143500 [1,1,0,0,0,0|1,0,0]=3 582 B6R0.5 CCCC(C)(C)O 356177 [1,1,0,0,0,0|1,0,1]=4 583 B6R0.5 CCCP(=O)(O)O 102644 [1,1,0,0,0,0|1,0,0]=3 584 B6R0.5 CCCS(=O)(=O)Cl 094413 [1,1,0,0,0,0|1,0,1]=4 585 B6R0.5 NCCP(=O)(O)O 240267 [1,1,0,0,0,0|2,0,0]=4 586 B6R0.5 NCCS(=O)(=O)O 094516 [1,1,0,0,0,0|2,0,0]=4 587 B6R0.6 BrCCCCCBr 001044 [1,1,0,0,0,0|1,0,1]=4 588 B6R0.6 C#CCCCCC 144400 [1,1,0,0,0,0|1,0,1]=4 589 B6R0.6 C#CCCCCCl 009091 [1,1,0,0,0,0|1,0,1]=4 590 B6R0.6 C#CCCCCO 145808 [1,1,0,0,0,0|0,0,2]=4 591 B6R0.6 C=CCCCCBr 002415 [1,1,0,0,0,0|1,0,0]=3 592 B6R0.6 C=CCCCCBr 013446 [1,1,0,0,0,0|1,0,0]=3 593 B6R0.6 C=CCCCCCl 024635 [1,1,0,0,0,0|1,0,0]=3 594 B6R0.6 C=CCCCCI 103321 [1,1,0,0,0,0|1,0,0]=3 595 B6R0.6 C=CCCCCO 078461 [1,1,0,0,0,0|1,0,0]=3 596 B6R0.6 C=CCOCCO 099544 [1,1,0,0,0,0|2,0,0]=4 597 B6R0.6 C=COCCCC 106580 [1,1,0,0,0,0|1,0,0]=3 598 B6R0.6 CCC#CCCO 145806 [1,1,0,0,0,0|0,0,2]=4 599 B6R0.6 CCCC#CCO 145805 [1,1,0,0,0,0|0,0,2]=4 600 B6R0.6 CCCCCC#N 002444 [1,1,0,0,0,0|1,0,1]=4 601 B6R0.6 CCCCCC=O 094968 [1,1,0,0,0,0|0,0,0]=2 602 B6R0.6 CCCCCCBr 098897 [1,1,0,0,0,0|1,0,1]=4 603 B6R0.6 CCCCCCC 044743 [1,1,0,0,0,0|1,0,1]=4 604 B6R0.6 CCCCCCC 099896 [1,1,0,0,0,0|1,0,1]=4 605 B6R0.6 CCCCCCC 107019 [1,1,0,0,0,0|1,0,1]=4 606 B6R0.6 CCCCCCC 995188 [1,1,0,0,0,0|1,0,1]=4 607 B6R0.6 CCCCCCN 094631 [1,1,0,0,0,0|1,0,1]=4 608 B6R0.6 CCCCCCO 349294 [1,1,0,0,0,0|0,0,1]=3 609 B6R0.6 CCCCCCS 145400 [1,1,0,0,0,0|0,1,1]=4 610 B6R0.6 CCCCCNC 056875 [1,1,0,0,0,0|1,0,1]=4 611 B6R0.6 CCCCN=C=O 102722 [1,1,0,0,0,0|0,0,1]=3 612 B6R0.6 CCCCN=C=S 008752 [1,1,0,0,0,0|0,1,1]=4 613 B6R0.6 CCCCNC=O 103559 [1,1,0,0,0,0|0,0,0]=2 614 B6R0.6 CCCCNCC 097790 [1,1,0,0,0,0|1,0,1]=4 615 B6R0.6 CCCNCCC 102049 [1,1,0,0,0,0|1,0,1]=4 616 B6R0.6 CCCNCCN 050965 [1,1,0,0,0,0|1,0,1]=4 617 B6R0.6 CCCNCCO 069279 [1,1,0,0,0,0|0,0,1]=3 618 B6R0.6 CCCOCCN 038577 [1,1,0,0,0,0|1,0,1]=4 619 B6R0.6 CCC\C=C\C=O 098868 [1,1,0,0,0,0|0,0,1]=3 620 B6R0.6 CCNCCC#N 013570 [1,1,0,0,0,0|1,0,1]=4 621 B6R0.6 CCNCCCN 544204 [1,1,0,0,0,0|1,0,1]=4 622 B6R0.6 CCNCCCO 387141 [1,1,0,0,0,0|0,0,1]=3 623 B6R0.6 CCNCCNC 024572 [1,1,0,0,0,0|2,0,0]=4 624 B6R0.6 CCOCCC#N 208601 [1,1,0,0,0,0|1,0,1]=4 625 B6R0.6 CCOCCCN 097753 [1,1,0,0,0,0|1,0,1]=4 626 B6R0.6 CC\C=C/CCO 240925 [1,1,0,0,0,0|0,0,2]=4 627 B6R0.6 CNCCCCO 239842 [1,1,0,0,0,0|0,0,1]=3 628 B6R0.6 CNCCCNC 236622 [1,1,0,0,0,0|2,0,0]=4 629 B6R0.6 CNCCCOC 309894 [1,1,0,0,0,0|1,0,1]=4 630 B6R0.6 COCCCCBr 079657 [1,1,0,0,0,0|1,0,1]=4 631 B6R0.6 COCCCCO 236682 [1,1,0,0,0,0|0,0,1]=3 632 B6R0.6 COCCN=C=O 044433 [1,1,0,0,0,0|1,0,1]=4 633 B6R0.6 CSCCCCO 035889 [1,1,0,0,0,0|0,0,1]=3 634 B6R0.6 C\C=C\CCCO 433438 [1,1,0,0,0,0|0,0,2]=4 635 B6R0.6 ClCCCCCBr 002448 [1,1,0,0,0,0|1,0,1]=4 636 B6R0.6 ClCCCCCCl 101915 [1,1,0,0,0,0|1,0,1]=4 637 B6R0.6 ClCCCCCI 098274 [1,1,0,0,0,0|1,0,1]=4 638 B6R0.6 FCCCCCBr 218989 [1,1,0,0,0,0|1,0,1]=4 639 B6R0.6 ICCCCCI 239847 [1,1,0,0,0,0|1,0,1]=4 640 B6R0.6 N#CCCCCBr 001007 [1,1,0,0,0,0|1,0,1]=4 641 B6R0.6 N#CCCCCCl 024253 [1,1,0,0,0,0|1,0,1]=4 642 B6R0.6 NCCCCCN 208616 [1,1,0,0,0,0|1,0,1]=4 643 B6R0.6 NCCCCCO 463575 [1,1,0,0,0,0|0,0,1]=3 644 B6R0.6 NCCNCCO 245937 [1,1,0,0,0,0|1,0,1]=4 645 B6R0.6 NCCOCCO 336044 [1,1,0,0,0,0|1,0,1]=4 646 B6R0.6 O=C=NCCCCl 013917 [1,1,0,0,0,0|1,0,1]=4 647 B6R0.6 O=CCCCCCl 238851 [1,1,0,0,0,0|0,0,0]=2 648 B6R0.6 OCCCCCBr 079429 [1,1,0,0,0,0|0,0,1]=3 649 B6R0.6 OCCCCCCl 008844 [1,1,0,0,0,0|0,0,1]=3 650 B6R0.6 OCCCCCO 240419 [1,1,0,0,0,0|0,0,1]=3 651 B6R0.6 OCCNCCO 099502 [1,1,0,0,0,0|1,0,1]=4 652 B6R0.6 OCCNCCO 103514 [1,1,0,0,0,0|1,0,1]=4 653 B6R0.6 OCCNCCO 234996 [1,1,0,0,0,0|1,0,1]=4 654 B6R0.6 OCCOCCCl 241221 [1,1,0,0,0,0|1,0,1]=4 655 B6R0.6 OCCOCCO 044689 [1,1,0,0,0,0|1,0,1]=4 656 B6R0.6 OCCSCCO 095104 [1,1,0,0,0,0|1,0,1]=4 657 B8R0.2 CCC(C)C(N)C(=O)O 390253 [0,2,0,0,0,0|0,0,0]=2 658 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O M03002 [0,2,0,0,0,0|0,0,0]=2 659 B8R0.5 CCOC(=O)CC(=O)Cl 069285 [0,2,0,0,0,0|1,0,1]=4 660 B8R0.5 CCOC(=O)CC(=O)[O-] 214619 [0,2,0,0,0,0|0,0,2]=4 661 B8R0.5 CCOC(=O)CC(C)=O 044857 [0,2,0,0,0,0|1,0,1]=4 662 B8R0.5 CCOC(=O)CC(C)=O 104605 [0,2,0,0,0,0|1,0,1]=4 663 B8R0.16 COC(CC(C)=O)OC 079369 [0,2,0,0,0,0|2,0,0]=4 664 B8R0.19 CCC(=O)CC(=O)OC 023871 [0,2,0,0,0,0|0,0,1]=3 665 B8R0.19 CCC(C)CC(=O)OC 097640 [0,2,0,0,0,0|0,0,0]=2 666 B8R0.19 COC(=O)CC(=O)OC 996204 [0,2,0,0,0,0|1,0,1]=4 667 B8R0.23 CC(=O)CC(C)C(=O)O 066644 [0,2,0,0,0,0|0,0,1]=3 668 B8R0.23 CC(=O)N[C@@H](C)C(=O)O M03026 [0,2,0,0,0,0|1,0,1]=4 669 B8R0.23 CC(=O)OC(C)C(=O)O 104166 [0,2,0,0,0,0|1,0,1]=4 670 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 036652 [0,2,0,0,0,0|1,0,1]=4 671 B8R0.23 CC(C)CC(N)C(=O)O 080309 [0,2,0,0,0,0|0,0,0]=2 672 B8R0.23 CC(C)CC(N)C(=O)O 235900 [0,2,0,0,0,0|0,0,0]=2 673 B8R0.23 CC(C)CC(O)C(=O)O 320241 [0,2,0,0,0,0|0,0,0]=2 674 B8R0.23 CC(C)C[C@@H](N)C(=O)O 043443 [0,2,0,0,0,0|0,0,0]=2 675 B8R0.23 CC(C)C[C@H](N)C(=O)O 102086 [0,2,0,0,0,0|0,0,0]=2 676 B8R0.23 CC(C)C[C@H](N)C(=O)O M03060 [0,2,0,0,0,0|0,0,0]=2 677 B8R0.23 CC(C)C[C@H](N)C(N)=O 224383 [0,2,0,0,0,0|1,0,0]=3 678 B8R0.23 CC(C)C[C@H](O)C(=O)O 233788 [0,2,0,0,0,0|0,0,0]=2 679 B8R0.23 CC(C)NC(=O)C(=O)O 031905 [0,2,0,0,0,0|1,0,1]=4 680 B8R0.23 CS(=O)C[C@H](N)C(=O)O 226042 [0,2,0,0,0,0|1,0,0]=3 681 B8R0.23 NC(=O)C[C@H](N)C(=O)O 236717 [0,2,0,0,0,0|1,0,1]=4 682 B8R0.23 NC(=O)C[C@H](N)C(=O)O M02998 [0,2,0,0,0,0|1,0,1]=4 683 B8R0.23 NC(CC(=O)O)C(=O)O 237050 [0,2,0,0,0,0|1,0,1]=4 684 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 102085 [0,2,0,0,0,0|1,0,1]=4 685 B8R0.23 N[C@@H](CC(=O)O)C(=O)O M03000 [0,2,0,0,0,0|1,0,1]=4 686 B8R0.23 N[C@H](CC(=O)O)C(=O)O 040077 [0,2,0,0,0,0|1,0,1]=4 687 B8R0.23 O=C(O)CC(Br)C(=O)O 433194 [0,2,0,0,0,0|1,0,1]=4 688 B8R0.23 O=C(O)CC(O)C(=O)O 364219 [0,2,0,0,0,0|1,0,1]=4 689 B8R0.23 O=C(O)CC(S)C(=O)O 358266 [0,2,0,0,0,0|1,0,1]=4 690 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 040082 [0,2,0,0,0,0|1,0,1]=4 691 B8R0.23 O=C(O)C[C@H](O)C(=O)O 152310 [0,2,0,0,0,0|1,0,1]=4 692 B8R0.34 CCC(C)(O)CC(=O)O 103052 [0,2,0,0,0,0|0,0,0]=2 693 B8R0.1 CCCCC(=O)OCC 241120 [0,2,0,0,0,0|0,0,0]=2 694 B8R0.1 CCCNC(=O)CC#N 042752 [0,2,0,0,0,0|2,0,0]=4 695 B8R0.1 CCOC(=O)CCC#N 332295 [0,2,0,0,0,0|1,0,1]=4 696 B8R0.1 CCOC(=O)CCCBr 139400 [0,2,0,0,0,0|1,0,0]=3 697 B8R0.1 CCOC(=O)CCCI 227460 [0,2,0,0,0,0|1,0,0]=3 698 B8R0.1 CCOC(=O)CCCN 033082 [0,2,0,0,0,0|1,0,0]=3 699 B8R0.1 CCOC(=O)CSCC 094645 [0,2,0,0,0,0|1,0,0]=3 700 B8R0.3 CCCC(Br)C(=O)OC 099965 [0,2,0,0,0,0|0,0,0]=2 701 B8R0.3 CCCC(C)C(=O)OC 102877 [0,2,0,0,0,0|0,0,0]=2 702 B8R0.3 COC(=O)C(Br)CCBr 044197 [0,2,0,0,0,0|1,0,0]=3 703 B8R0.6 C=CC(=O)OCCCC 099438 [0,2,0,0,0,0|1,0,0]=3 704 B8R0.6 C=CC(O)CCCCC 162500 [0,2,0,0,0,0|1,0,1]=4 705 B8R0.6 C=CCCCC(=O)OC 103881 [0,2,0,0,0,0|0,0,1]=3 706 B8R0.6 CCCCCC(=O)NN 045795 [0,2,0,0,0,0|1,0,0]=3 707 B8R0.6 CCCCCC(=O)OC 103044 [0,2,0,0,0,0|0,0,0]=2 708 B8R0.6 CCCCNC(=S)NN 018342 [0,2,0,0,0,0|1,1,0]=4 709 B8R0.6 CCCSCC(=O)OC 095137 [0,2,0,0,0,0|0,0,0]=2 710 B8R0.6 COC(=O)CCCCBr 210250 [0,2,0,0,0,0|0,0,0]=2 711 B8R0.6 COC(=O)CCCCI 103067 [0,2,0,0,0,0|0,0,0]=2 712 B8R0.6 COC(=O)CCN=C=S 009537 [0,2,0,0,0,0|1,0,1]=4 713 B8R0.6 COC(=O)CSCC#N 095136 [0,2,0,0,0,0|1,0,1]=4 714 B8R0.6 OCCCCC(O)CO 099054 [0,2,0,0,0,0|0,0,2]=4 715 B8R0.8 CCCCC(Br)C(=O)O 004238 [0,2,0,0,0,0|0,0,0]=2 716 B8R0.8 CCCCC(C)C(=O)O 038355 [0,2,0,0,0,0|0,0,0]=2 717 B8R0.8 CCCCC(N)C(=O)O 045400 [0,2,0,0,0,0|0,0,0]=2 718 B8R0.8 CCCCC(O)C(=O)O 013596 [0,2,0,0,0,0|0,0,0]=2 719 B8R0.8 CCCC[C@@H](N)C(=O)O 236958 [0,2,0,0,0,0|0,0,0]=2 720 B8R0.8 CCCC[C@H](N)C(=O)O M03242 [0,2,0,0,0,0|0,0,0]=2 721 B8R0.8 CN(C)C(=O)CCCN 360246 [0,2,0,0,0,0|2,0,0]=4 722 B8R0.8 COCCC(=O)N(C)C 091209 [0,2,0,0,0,0|2,0,0]=4 723 B8R0.8 CSCCC(N)C(=O)O 209039 [0,2,0,0,0,0|0,0,0]=2 724 B8R0.8 CSCC[C@H](N)C(=O)O M02939 [0,2,0,0,0,0|0,0,0]=2 725 B8R0.8 CSCC[C@H](N)C(=O)O M02945 [0,2,0,0,0,0|0,0,0]=2 726 B8R0.8 NCCCC(N)C(=O)O 364183 [0,2,0,0,0,0|0,0,0]=2 727 B8R0.9 COC(=O)CCC(=O)Cl 366676 [0,2,0,0,0,0|1,0,1]=4 728 B8R0.9 COC(=O)CCC(=O)O 001779 [0,2,0,0,0,0|0,0,1]=3 729 B8R0.9 COC(=O)CCC(C)=O 099360 [0,2,0,0,0,0|0,0,1]=3 730 B8R0.9 COC(=O)CSC(C)C 095097 [0,2,0,0,0,0|1,0,0]=3 731 B8R0.9 COC(=O)\C=C\C(C)C 011190 [0,2,0,0,0,0|0,0,2]=4 732 B8R0.9 NCC(=O)CCC(=O)O 066621 [0,2,0,0,0,0|0,0,1]=3 733 B8R0.9 NCC(=O)NCC(=O)O 094740 [0,2,0,0,0,0|1,0,1]=4 734 B8R0.11 CCCCC(C=O)CC 106312 [0,2,0,0,0,0|1,0,1]=4 735 B8R0.11 CCCCC(CC)CO 240935 [0,2,0,0,0,0|1,0,1]=4 736 B8R0.11 CCC\C=C(\C=O)CC 069958 [0,2,0,0,0,0|1,0,1]=4 737 B8R0.25 CCCC[Si](C)(C)OC S03310 [0,2,0,0,0,0|1,1,0]=4 738 B8R0.7 C#CCCCCC(=O)O 208727 [0,2,0,0,0,0|0,0,0]=2 739 B8R0.7 C=CCCCCC(=O)O 200743 [0,2,0,0,0,0|0,0,0]=2 740 B8R0.7 C=CCCCOC(C)=O 098929 [0,2,0,0,0,0|1,0,1]=4 741 B8R0.7 CC(=O)OCCCCBr 002417 [0,2,0,0,0,0|1,0,0]=3 742 B8R0.7 CCCCCCB(O)O 466928 [0,2,0,0,0,0|1,0,1]=4 743 B8R0.7 CCCCCCC(=O)Cl 102978 [0,2,0,0,0,0|1,0,0]=3 744 B8R0.7 CCCCCCC(=O)O 066627 [0,2,0,0,0,0|0,0,0]=2 745 B8R0.7 CCCCCCC(C)=O 242815 [0,2,0,0,0,0|1,0,0]=3 746 B8R0.7 CCCCCOC(=O)Cl 544334 [0,2,0,0,0,0|1,0,0]=3 747 B8R0.7 CCCCSCC(=O)O 351418 [0,2,0,0,0,0|0,0,0]=2 748 B8R0.7 CCCC\C=C\B(O)O 329673 [0,2,0,0,0,0|1,0,1]=4 749 B8R0.7 CCCC\C=C\C(C)=O 104079 [0,2,0,0,0,0|1,0,0]=3 750 B8R0.7 COCCOCC(=O)O 329057 [0,2,0,0,0,0|0,0,0]=2 751 B8R0.7 COCCSCC(=O)O 351521 [0,2,0,0,0,0|0,0,0]=2 752 B8R0.7 N=C(N)NCCCCN 211334 [0,2,0,0,0,0|2,0,0]=4 753 B8R0.7 NC(=O)CCCCCBr 002966 [0,2,0,0,0,0|1,0,0]=3 754 B8R0.7 NCCCCCC(=O)O 103200 [0,2,0,0,0,0|0,0,0]=2 755 B8R0.7 O=C(Cl)CCCCCBr 003076 [0,2,0,0,0,0|1,0,0]=3 756 B8R0.7 O=C(O)CCCCCBr 002967 [0,2,0,0,0,0|0,0,0]=2 757 B8R0.21 CCCCCS(=O)(=O)Cl 021389 [0,2,0,0,0,0|1,0,1]=4 758 B8R0.21 CCCCCS(=O)(=O)[O-] 008051 [0,2,0,0,0,0|1,0,1]=4 759 B8R0.21 CCCCOS(C)(=O)=O 003699 [0,2,0,0,0,0|1,0,1]=4 760 B8R0.28 CC(=O)CCC=C(C)C 242741 [0,2,0,0,0,0|1,0,1]=4 761 B8R0.28 CC(=O)CCCC(=O)O 208771 [0,2,0,0,0,0|0,0,0]=2 762 B8R0.28 CC(=O)CCCC(C)C 242651 [0,2,0,0,0,0|1,0,0]=3 763 B8R0.28 CC(=O)NCCC(=O)O 208784 [0,2,0,0,0,0|0,0,1]=3 764 B8R0.28 CC(=O)NCCC(C)C 341839 [0,2,0,0,0,0|1,0,0]=3 765 B8R0.28 CC(=O)OCCC(C)C 106519 [0,2,0,0,0,0|1,0,0]=3 766 B8R0.28 CC(=O)SCCC(=O)O 104707 [0,2,0,0,0,0|0,0,1]=3 767 B8R0.28 CC(C)CCCC(=O)O 002773 [0,2,0,0,0,0|0,0,0]=2 768 B8R0.28 CC(C)CCO[N+](=O)[O-] 341782 [0,2,0,0,0,0|1,0,1]=4 769 B8R0.28 CC(C)CSCC(=O)O 042364 [0,2,0,0,0,0|0,0,0]=2 770 B8R0.28 CC(O)CNCC(C)O 240941 [0,2,0,0,0,0|1,0,1]=4 771 B8R0.28 CN(C)CCCC(=O)O 236794 [0,2,0,0,0,0|0,0,0]=2 772 B8R0.28 CN(C)C\C=C\C(=O)O 062980 [0,2,0,0,0,0|0,0,2]=4 773 B8R0.28 CN(C)C\C=C\C(=O)O 078562 [0,2,0,0,0,0|0,0,2]=4 774 B8R0.28 N=C(N)NCCC(=O)O 242928 [0,2,0,0,0,0|1,0,1]=4 775 B8R0.28 O=C(Cl)CCCC(=O)Cl 095828 [0,2,0,0,0,0|1,0,1]=4 776 B8R0.28 O=C(O)CCCC(=O)O 143400 [0,2,0,0,0,0|0,0,1]=3 777 B8R0.28 O=C(O)CNCC(=O)O 358251 [0,2,0,0,0,0|1,0,1]=4 778 B8R0.28 O=C(O)COCC(=O)O 099137 [0,2,0,0,0,0|1,0,1]=4 779 B8R0.28 O=C(O)CSCC(=O)O 099003 [0,2,0,0,0,0|1,0,1]=4 780 B8R0.12 C=CCC(C)(C)C(=O)O 066645 [0,2,0,0,0,0|0,0,2]=4 781 B8R0.14 CCCC(C)S(=O)(=O)Cl 021390 [0,2,0,0,0,0|1,0,1]=4 782 B8R0.29 CC(C)(C)CCC(=O)O 046101 [0,2,0,0,0,0|0,0,0]=2 783 B8R0.29 CC(C)(C)COC(=O)Cl 103231 [0,2,0,0,0,0|2,0,0]=4 784 B8R0.29 CC(C)(C)OCC(=O)O 023523 [0,2,0,0,0,0|1,0,0]=3 785 B8R0.29 NC(=O)CCC(F)(F)F 103297 [0,2,0,0,0,0|2,0,0]=4 786 B8R0.29 O=C(Cl)CCC(F)(F)F 372909 [0,2,0,0,0,0|2,0,0]=4 787 B8R0.29 O=C(O)CCC(F)(F)F 001553 [0,2,0,0,0,0|1,0,0]=3 788 B8R0.29 O=C(O)CCP(=O)(O)O 003781 [0,2,0,0,0,0|2,0,0]=4 789 B6R1.2 CC1=CCCC1 103763 [1,0,0,1,0,0|2,0,0]=4 790 B6R1.2 CC1=NCCO1 099141 [1,0,0,1,0,0|2,0,0]=4 791 B6R1.2 CC1CCCO1 094054 [1,0,0,1,0,0|1,0,1]=4 792 B6R1.2 O=C1C=CCC1 049816 [1,0,0,1,0,0|1,0,1]=4 793 B6R1.2 O=C1C=CCO1 095003 [1,0,0,1,0,0|0,0,2]=4 794 B6R1.2 O=C1CCCC1 044205 [1,0,0,1,0,0|1,0,0]=3 795 B6R1.2 O=C1CCCN1 095374 [1,0,0,1,0,0|1,0,0]=3 796 B6R1.2 O=C1CCCN1 098215 [1,0,0,1,0,0|1,0,0]=3 797 B6R1.2 O=C1CCNC1 078709 [1,0,0,1,0,0|2,0,0]=4 798 B6R1.2 O=C1CCNN1 092652 [1,0,0,1,0,0|2,0,0]=4 799 B6R1.2 O=C1CCOC1 076836 [1,0,0,1,0,0|2,0,0]=4 800 B6R1.2 O=C1CCSC1 214765 [1,0,0,1,0,0|2,0,0]=4 801 B6R1.2 O=C1CNCN1 079854 [1,0,0,1,0,0|2,0,0]=4 802 B6R1.2 O=C1CS[Ca]O1 095807 [1,0,0,1,0,0|2,0,0]=4 803 B6R1.2 O=C1NCCN1 078654 [1,0,0,1,0,0|2,0,0]=4 804 B6R1.2 O=C1NCCO1 216566 [1,0,0,1,0,0|1,0,0]=3 805 B6R1.2 O=C1NCCS1 215692 [1,0,0,1,0,0|1,1,0]=4 806 B6R1.2 O=C1OCCO1 094510 [1,0,0,1,0,0|1,0,0]=3 807 B6R1.2 O=S1CCCC1 001093 [1,0,0,1,0,0|2,0,0]=4 808 B6R1.2 OC1CCCC1 044840 [1,0,0,1,0,0|1,0,1]=4 809 B6R1.11 CC(=O)C1CC1 005112 [1,0,0,1,0,0|1,0,0]=3 810 B6R1.11 CC(O)C1CC1 354573 [1,0,0,1,0,0|1,0,1]=4 811 B6R1.11 N=C(N)C1CC1 017190 [1,0,0,1,0,0|2,0,0]=4 812 B6R1.11 NC(=O)C1CC1 079247 [1,0,0,1,0,0|1,0,0]=3 813 B6R1.11 O=C(Cl)C1CC1 066721 [1,0,0,1,0,0|1,0,0]=3 814 B6R1.11 O=C(O)C1CC1 009113 [1,0,0,1,0,0|0,0,0]=2 815 B6R1.11 O=S([O-])C1CC1 024941 [1,0,0,1,0,0|1,0,1]=4 816 B6R1.11 OB(O)C1CC1 023296 [1,0,0,1,0,0|1,0,1]=4 817 B6R1.1 C1=CCCCC1 094563 [1,0,0,1,0,0|1,0,0]=3 818 B6R1.1 C1=COCCC1 130700 [1,0,0,1,0,0|0,0,1]=3 819 B6R1.1 C1=NCCCN1 099043 [1,0,0,1,0,0|2,0,0]=4 820 B6R1.1 C1CCCCC1 046756 [1,0,0,1,0,0|1,0,1]=4 821 B6R1.1 C1CCCCC1 102944 [1,0,0,1,0,0|1,0,1]=4 822 B6R1.1 C1CCOCC1 005006 [1,0,0,1,0,0|0,0,1]=3 823 B6R1.1 C1COCCN1 043315 [1,0,0,1,0,0|1,0,1]=4 824 B6R1.1 C1COCCN1 101454 [1,0,0,1,0,0|1,0,1]=4 825 B6R1.1 C1COCCO1 044719 [1,0,0,1,0,0|1,0,1]=4 826 B6R1.1 C1COCCO1 102493 [1,0,0,1,0,0|1,0,1]=4 827 B6R1.1 C1CSCCO1 001450 [1,0,0,1,0,0|1,0,1]=4 828 B6R1.6 BrCC1CCC1 067868 [1,0,0,1,0,0|1,0,1]=4 829 B6R1.6 ICC1CCC1 099276 [1,0,0,1,0,0|1,0,1]=4 830 B6R1.6 N#CC1CCC1 003364 [1,0,0,1,0,0|1,0,1]=4 831 B6R1.6 OCC1CCC1 009111 [1,0,0,1,0,0|0,0,1]=3 832 B6R1.6 OCC1CNC1 078174 [1,0,0,1,0,0|1,0,1]=4 833 B8R1.1 CCN1CCC(O)C1 068964 [0,1,0,1,0,0|1,0,1]=4 834 B8R1.1 NCC1CCC(=O)N1 318323 [0,1,0,1,0,0|1,0,0]=3 835 B8R1.1 O=C1CC(CO)CN1 038551 [0,1,0,1,0,0|2,0,0]=4 836 B8R1.1 O=C1CC[C@@H](CO)N1 093783 [0,1,0,1,0,0|1,0,0]=3 837 B8R1.1 O=C1CC[C@@H](CO)O1 040029 [0,1,0,1,0,0|0,0,0]=2 838 B8R1.1 O=C1CC[C@H](CO)N1 040026 [0,1,0,1,0,0|1,0,0]=3 839 B8R1.1 O=C1NC[C@@H](CCl)O1 238564 [0,1,0,1,0,0|1,0,0]=3 840 B8R1.1 O=C1OCC(CO)O1 521458 [0,1,0,1,0,0|1,0,0]=3 841 B8R1.4 CC1CNCC(C)O1 091225 [0,1,0,1,0,0|1,0,1]=4 842 B8R1.4 C[C@H]1CNC[C@@H](C)O1 091224 [0,1,0,1,0,0|1,0,1]=4 843 B8R1.4 NC1=CC(=O)CCC1 011075 [0,1,0,1,0,0|1,0,1]=4 844 B8R1.4 NC1CCCC(O)C1 070474 [0,1,0,1,0,0|1,0,1]=4 845 B8R1.4 O=C1CCCC(=O)C1 078597 [0,1,0,1,0,0|1,0,1]=4 846 B8R1.4 O=C1CCCC(=O)N1 446406 [0,1,0,1,0,0|1,0,1]=4 847 B8R1.4 O=C1CCCC(=O)O1 044731 [0,1,0,1,0,0|0,0,1]=3 848 B8R1.4 O=C1CCNC(=O)C1 044088 [0,1,0,1,0,0|1,0,1]=4 849 B8R1.4 O=C1COCC(=O)O1 053467 [0,1,0,1,0,0|1,0,1]=4 850 B8R1.4 OC1CCCC(O)C1 538675 [0,1,0,1,0,0|1,0,1]=4 851 B8R1.40 O=C(CCl)NC1CC1 042348 [0,1,0,1,0,0|2,0,0]=4 852 B8R1.51 CC1(C)CNC(=O)C1 043825 [0,1,0,1,0,0|2,0,0]=4 853 B8R1.51 CC1(C)OCC(=O)O1 233926 [0,1,0,1,0,0|1,0,0]=3 854 B8R1.51 NC1CCS(=O)(=O)C1 065028 [0,1,0,1,0,0|1,0,1]=4 855 B8R1.2 BrCC1CCCCO1 067845 [0,1,0,1,0,0|1,0,1]=4 856 B8R1.2 CC=C1CCCCC1 105541 [0,1,0,1,0,0|2,0,0]=4 857 B8R1.2 COC1=NCCCC1 008049 [0,1,0,1,0,0|1,0,0]=3 858 B8R1.2 NOC1CCCCO1 076716 [0,1,0,1,0,0|0,0,2]=4 859 B8R1.2 O=CC1=CCCCC1 235736 [0,1,0,1,0,0|1,0,0]=3 860 B8R1.2 O=CC1CCCCC1 050618 [0,1,0,1,0,0|1,0,1]=4 861 B8R1.2 O=CN1CCCCC1 208647 [0,1,0,1,0,0|2,0,0]=4 862 B8R1.2 OCC1CCCCC1 024256 [0,1,0,1,0,0|1,0,1]=4 863 B8R1.2 OCC1CCCCN1 078983 [0,1,0,1,0,0|1,0,1]=4 864 B8R1.2 OCC1CCCCO1 067745 [0,1,0,1,0,0|0,0,2]=4 865 B8R1.2 OC[C@@H]1CCCCN1 230468 [0,1,0,1,0,0|1,0,1]=4 866 B8R1.2 OC[C@H]1CCCCN1 230469 [0,1,0,1,0,0|1,0,1]=4 867 B8R1.2 ON=C1CCCCC1 371936 [0,1,0,1,0,0|1,0,0]=3 868 B8R1.2 ON=C1CCOCC1 080077 [0,1,0,1,0,0|2,0,0]=4 869 B8R1.3 CC1=NNC(=O)CC1 068760 [0,1,0,1,0,0|1,0,1]=4 870 B8R1.3 CC1CCC(=O)CC1 241022 [0,1,0,1,0,0|1,0,0]=3 871 B8R1.3 CC1CCC(O)CC1 221545 [0,1,0,1,0,0|1,0,1]=4 872 B8R1.3 CN1CCC(=O)CC1 078184 [0,1,0,1,0,0|2,0,0]=4 873 B8R1.3 CN1CCC(=O)CC1 105797 [0,1,0,1,0,0|2,0,0]=4 874 B8R1.3 C[C@H]1CC[C@H](O)CC1 103562 [0,1,0,1,0,0|1,0,1]=4 875 B8R1.3 N[C@H]1CC[C@@H](O)CC1 036775 [0,1,0,1,0,0|1,0,1]=4 876 B8R1.3 N[C@H]1CC[C@H](O)CC1 076683 [0,1,0,1,0,0|1,0,1]=4 877 B8R1.3 N[C@H]1CC[C@H](O)CC1 103705 [0,1,0,1,0,0|1,0,1]=4 878 B8R1.3 O=C1CCC(=O)CC1 078914 [0,1,0,1,0,0|1,0,1]=4 879 B8R1.3 O=C1CCC(O)CC1 069093 [0,1,0,1,0,0|1,0,0]=3 880 B8R1.3 OC1CCC(O)CC1 241344 [0,1,0,1,0,0|1,0,1]=4 881 B8R1.5 CC1CCCCC1=O 463405 [0,1,0,1,0,0|1,0,0]=3 882 B8R1.5 CC1CCCCC1O 037382 [0,1,0,1,0,0|1,0,1]=4 883 B8R1.5 CN1CCCCC1=O 240152 [0,1,0,1,0,0|1,0,0]=3 884 B8R1.5 NC1CCCCC1O 103700 [0,1,0,1,0,0|1,0,1]=4 885 B8R1.5 NC1CCCNC1=O 075567 [0,1,0,1,0,0|1,0,0]=3 886 B8R1.5 N[C@@H]1CCCC[C@H]1O 093763 [0,1,0,1,0,0|1,0,1]=4 887 B8R1.5 N[C@@H]1CCCC[C@H]1O 095334 [0,1,0,1,0,0|1,0,1]=4 888 B8R1.5 N[C@@H]1CCCC[C@H]1O 237909 [0,1,0,1,0,0|1,0,1]=4 889 B8R1.5 N[C@H]1CCCC[C@@H]1O 078037 [0,1,0,1,0,0|1,0,1]=4 890 B8R1.5 N[C@H]1CCCC[C@H]1O 077826 [0,1,0,1,0,0|1,0,1]=4 891 B8R1.5 O=C1CCCCC1=O 123100 [0,1,0,1,0,0|0,0,1]=3 892 B8R1.5 O=C1CCCCC1Cl 235014 [0,1,0,1,0,0|1,0,0]=3 893 B8R1.5 OC1CCCCC1O 008843 [0,1,0,1,0,0|0,0,2]=4 894 B8R1.5 O[C@H]1CCCC[C@H]1O 219174 [0,1,0,1,0,0|0,0,2]=4 895 B8R1.22 O=C1C=CCCCC1 208633 [0,1,0,1,0,0|1,0,0]=3 896 B8R1.22 O=C1CCCCCC1 098940 [0,1,0,1,0,0|1,0,0]=3 897 B8R1.22 O=C1CCCCCN1 102927 [0,1,0,1,0,0|1,0,0]=3 898 B8R1.22 O=C1CCCCCO1 094875 [0,1,0,1,0,0|0,0,0]=2 899 B8R1.22 O=C1CCNCCN1 011670 [0,1,0,1,0,0|1,0,0]=3 900 B8R1.22 OC1CCCCCC1 235579 [0,1,0,1,0,0|1,0,1]=4 901 B8R1.22 S=C1CCCCCN1 099229 [0,1,0,1,0,0|1,1,0]=4 902 B8R1.38 COC(=O)C1CCC1 094004 [0,1,0,1,0,0|0,0,0]=2 903 B8R1.50 CC1CCC(=O)C1=O 319433 [0,1,0,1,0,0|0,0,1]=3 904 B8R1.50 O=C1CCC(=O)N1O 005022 [0,1,0,1,0,0|1,0,1]=4 905 B8R1.50 O=C1CCC(=O)N1O 044932 [0,1,0,1,0,0|1,0,1]=4 906 B8R1.52 NC1(CO)CCCC1 234227 [0,1,0,1,0,0|1,0,1]=4 907 B8R1.7 NC(=O)C1CCCC1 440626 [0,1,0,1,0,0|1,0,0]=3 908 B8R1.7 NC(=O)[C@@H]1CCCN1 011847 [0,1,0,1,0,0|1,0,0]=3 909 B8R1.7 NC(=O)[C@@H]1CCCN1 240702 [0,1,0,1,0,0|1,0,0]=3 910 B8R1.7 NC(=O)[C@H]1CCCN1 011848 [0,1,0,1,0,0|1,0,0]=3 911 B8R1.7 NC(=O)[C@H]1CCCN1 M02958 [0,1,0,1,0,0|1,0,0]=3 912 B8R1.7 O=C(Cl)C1CCCC1 050562 [0,1,0,1,0,0|1,0,0]=3 913 B8R1.7 O=C(O)C1=COCC1 040021 [0,1,0,1,0,0|0,0,2]=4 914 B8R1.7 O=C(O)C1CC=CC1 011660 [0,1,0,1,0,0|0,0,1]=3 915 B8R1.7 O=C(O)C1CCCC1 094575 [0,1,0,1,0,0|0,0,0]=2 916 B8R1.7 O=C(O)C1CCCN1 M02942 [0,1,0,1,0,0|0,0,0]=2 917 B8R1.7 O=C(O)C1CCCO1 225736 [0,1,0,1,0,0|0,0,0]=2 918 B8R1.7 O=C(O)C1CCNC1 093908 [0,1,0,1,0,0|0,0,0]=2 919 B8R1.7 O=C(O)C1CCOC1 034484 [0,1,0,1,0,0|0,0,0]=2 920 B8R1.7 O=C(O)C1NCCS1 005324 [0,1,0,1,0,0|1,0,0]=3 921 B8R1.7 O=C(O)[C@@H]1CCCN1 M02947 [0,1,0,1,0,0|0,0,0]=2 922 B8R1.7 O=C(O)[C@@H]1CCCO1 093764 [0,1,0,1,0,0|0,0,0]=2 923 B8R1.7 O=C(O)[C@@H]1CCNC1 093911 [0,1,0,1,0,0|0,0,0]=2 924 B8R1.7 O=C(O)[C@@H]1CSCN1 036413 [0,1,0,1,0,0|1,0,0]=3 925 B8R1.7 O=C(O)[C@H]1CCCN1 011849 [0,1,0,1,0,0|0,0,0]=2 926 B8R1.7 O=C(O)[C@H]1CSCN1 226021 [0,1,0,1,0,0|1,0,0]=3 927 B8R1.7 OB(O)C1CCCC1 011025 [0,1,0,1,0,0|1,0,1]=4 928 B8R1.7 S=C([S-])N1CCCC1 240903 [0,1,0,1,0,0|0,2,0]=4 929 B8R1.35 CC(=O)NCC1CC1 103786 [0,1,0,1,0,0|1,0,0]=3 930 B8R1.35 O=C(O)CCC1CC1 011665 [0,1,0,1,0,0|0,0,0]=2 931 B8R1.72 CC1(O)CCCCC1 099112 [0,1,0,1,0,0|1,0,1]=4 932 B8R1.72 CN1(=O)CCOCC1 104623 [0,1,0,1,0,0|2,0,0]=4 933 B8R1.72 O=S1(=O)CCCCO1 216438 [0,1,0,1,0,0|1,0,0]=3 934 B8R1.72 O=S1(=O)CCNCC1 214860 [0,1,0,1,0,0|1,0,1]=4 935 B8R1.72 OC1(O)CCNCC1 304310 [0,1,0,1,0,0|0,0,2]=4 936 B8R1.23 O=C1CC(C(=O)O)C1 066492 [0,1,0,1,0,0|0,0,1]=3 937 B8R1.54 N[C@@H](C(=O)O)C1CC1 332550 [0,1,0,1,0,0|0,0,0]=2 938 B8R1.54 N[C@H](C(=O)O)C1CC1 040025 [0,1,0,1,0,0|0,0,0]=2 939 B8R1.78 CC1(C(=O)O)COC1 042959 [0,1,0,1,0,0|1,0,0]=3 940 B8R1.78 NC1(C(=O)O)CCC1 066472 [0,1,0,1,0,0|0,0,0]=2 941 B8R1.78 O=C(O)C1(O)CCC1 066501 [0,1,0,1,0,0|0,0,0]=2 942 B8R1.77 CC1(C)CC1C(=O)O 066488 [0,1,0,1,0,0|0,0,0]=2 943 B8R1.77 O=C(O)C1CC1(F)F 024173 [0,1,0,1,0,0|1,0,0]=3 944 B8R2.25 C1CCC2OC2C1 358319 [0,0,0,2,0,0|1,0,1]=4