0 B5R0.2 C=CCCCCl M10023281P [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 C=CCC[Mg]Br M10101008P [0,0,0,0,0,0|3,0,0]=3 2 B5R0.2 C=CCN=C=O M10031358P [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 C=CCN=C=S M10000379P [0,0,0,0,0,0|4,0,0]=4 4 B5R0.2 C=CCOCC M10014106P [0,0,0,0,0,0|3,0,0]=3 5 B5R0.2 C=COCCO M10020115P [0,0,0,0,0,0|4,0,0]=4 6 B5R0.2 CCCN=C=O M10003745P [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 CCCOC=C M10020114P [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 CCOCCCl M10016975P [0,0,0,0,0,0|3,0,1]=4 9 B5R0.2 CCSCCCl M10018543P [0,0,0,0,0,0|3,0,1]=4 10 B5R0.2 CCSCCO M10003744P [0,0,0,0,0,0|2,0,2]=4 11 B5R0.2 COCCOC M10003738P [0,0,0,0,0,0|2,1,0]=3 12 B5R0.2 C\C=C\OCC M10023285P [0,0,0,0,0,0|3,0,1]=4 13 B5R0.2 Cl[Mg]CCCC M10018540P [0,0,0,0,0,0|3,0,0]=3 14 B5R0.2 ICCCCI M10016968P [0,0,0,0,0,0|3,0,1]=4 15 B5R0.2 N#CCCNN M10008953P [0,0,0,0,0,0|3,0,1]=4 16 B5R0.2 NOC\C=C\Cl M10517974P [0,0,0,0,0,0|2,1,1]=4 17 B5R0.2 NOC\C=C\Cl M10631116P [0,0,0,0,0,0|2,1,1]=4 18 B5R0.2 O=CNNC=O M10016977P [0,0,0,0,0,0|4,0,0]=4 19 B5R0.2 OCCCCBr M10196369P [0,0,0,0,0,0|2,0,2]=4 20 B5R0.2 OCCCCBr M10219049P [0,0,0,0,0,0|2,0,2]=4 21 B5R0.2 OCCCCCl M10030203P [0,0,0,0,0,0|2,0,2]=4 22 B4R0.2 C#CCCBr M10237621P [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 C#CCCN M10128309P [1,0,0,0,0,0|2,0,1]=4 24 B4R0.2 C#CCCN M10528466P [1,0,0,0,0,0|2,0,1]=4 25 B4R0.2 C#CCCO M10023257P [1,0,0,0,0,0|1,0,2]=4 26 B4R0.2 C(NCC)=O M10016925P [1,0,0,0,0,0|1,0,0]=2 27 B4R0.2 C=CCCCl M10023256P [1,0,0,0,0,0|2,0,0]=3 28 B4R0.2 C=CCCN M10044983P [1,0,0,0,0,0|2,0,0]=3 29 B4R0.2 C=CCOC M10016921P [1,0,0,0,0,0|0,1,1]=3 30 B4R0.2 C=CC[Mg]Br M10035431P [1,0,0,0,0,0|2,0,1]=4 31 B4R0.2 C=CC[Mg]Cl M10046066P [1,0,0,0,0,0|2,0,1]=4 32 B4R0.2 CCCCN M10058158P [1,0,0,0,0,0|1,0,1]=3 33 B4R0.2 CCCC[O-] M10026120P [1,0,0,0,0,0|0,0,2]=3 34 B4R0.2 CCC[Mg]Cl M10041602P [1,0,0,0,0,0|2,0,0]=3 35 B4R0.2 CCOCCl M10052059P [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 CC[Zn]CC M10014098P [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 CSCCO M10070197P [1,0,0,0,0,0|0,0,1]=2 38 B4R0.2 CSCSC M10033691P [1,0,0,0,0,0|1,0,1]=3 39 B4R0.2 C\C=C\C=O M10004592P [1,0,0,0,0,0|0,0,2]=3 40 B4R0.2 C\C=C\CCl M10015079P [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 C\C=C\OC M10103777P [1,0,0,0,0,0|1,1,1]=4 42 B4R0.2 ClCCNC M10064229P [1,0,0,0,0,0|2,0,0]=3 43 B4R0.2 FCCCBr M10008947P [1,0,0,0,0,0|2,0,1]=4 44 B4R0.2 N#CCN=C M10003654P [1,0,0,0,0,0|3,0,0]=4 45 B4R0.2 N#CCNC M10222298P [1,0,0,0,0,0|2,0,1]=4 46 B4R0.2 NCCOC M10003657P [1,0,0,0,0,0|1,1,0]=3 47 B4R0.2 NOCC=C M10238130P [1,0,0,0,0,0|1,1,1]=4 48 B4R0.2 NOCCN M10234700P [1,0,0,0,0,0|2,1,0]=4 49 B4R0.2 NOCCO M10052943P [1,0,0,0,0,0|1,1,1]=4 50 B4R0.2 OCCCF M10011351P [1,0,0,0,0,0|1,0,2]=4 51 B6R0.1 C=CC(O)CCC M10066392P [0,1,0,0,0,0|2,0,0]=3 52 B6R0.1 CC(OC)CCO M10044895P [0,1,0,0,0,0|0,1,2]=4 53 B6R0.1 CC(OC)COC M10110559P [0,1,0,0,0,0|2,1,0]=4 54 B6R0.1 CCCC(C)C=O M10004549P [0,1,0,0,0,0|1,0,0]=2 55 B6R0.1 CCC[C@H](N)CO M10176483P [0,1,0,0,0,0|1,0,2]=4 56 B6R0.4 C#CCCC(O)=O M10083651P [0,1,0,0,0,0|1,0,1]=3 57 B6R0.4 C=CCCC(Cl)=O M10240332P [0,1,0,0,0,0|1,0,1]=3 58 B6R0.4 CC(C)CCC=O M10027096P [0,1,0,0,0,0|1,0,0]=2 59 B6R0.4 CC(C)CCCBr M10016880P [0,1,0,0,0,0|2,0,1]=4 60 B6R0.4 CC(C)CCCO M10016881P [0,1,0,0,0,0|1,0,2]=4 61 B6R0.4 CC(C)CN=C=O M10037383P [0,1,0,0,0,0|2,0,1]=4 62 B6R0.4 CC(CCC=C)=O M10003621P [0,1,0,0,0,0|1,0,1]=3 63 B6R0.4 CC(CCCBr)=O M10058337P [0,1,0,0,0,0|2,0,0]=3 64 B6R0.4 CC(NCCO)=O M10005418P [0,1,0,0,0,0|3,0,0]=4 65 B6R0.4 CC(O)CCCO M10016886P [0,1,0,0,0,0|1,0,2]=4 66 B6R0.4 CC(OCCO)=O M10013697P [0,1,0,0,0,0|3,0,0]=4 67 B6R0.4 CC\C=C\C(O)=O M10016889P [0,1,0,0,0,0|1,0,2]=4 68 B6R0.4 CC\C=C\C([O-])=O M12008293P [0,1,0,0,0,0|1,0,2]=4 69 B6R0.4 CN(C)CCCBr M10273573P [0,1,0,0,0,0|2,0,1]=4 70 B6R0.4 CN(CCCCl)C M10003627P [0,1,0,0,0,0|2,0,1]=4 71 B6R0.4 CNCCN(C)C M10005417P [0,1,0,0,0,0|3,0,0]=4 72 B6R0.4 N#CCCN(C)C M10035584P [0,1,0,0,0,0|2,0,1]=4 73 B6R0.4 O=C(Cl)CCCBr M10023246P [0,1,0,0,0,0|2,0,0]=3 74 B6R0.4 O=C(Cl)OCCCl M10016902P [0,1,0,0,0,0|3,0,0]=4 75 B6R0.4 O=C(N)NCCO M10039744P [0,1,0,0,0,0|3,0,0]=4 76 B6R0.4 O=C(O)CCC#N M10140304P [0,1,0,0,0,0|2,0,0]=3 77 B6R0.4 O=C(O)CCCCl M10016891P [0,1,0,0,0,0|2,0,0]=3 78 B6R0.4 O=C(O)CCOC M10045190P [0,1,0,0,0,0|0,1,0]=2 79 B6R0.4 O=C(O)CCSC M10017612P [0,1,0,0,0,0|0,0,0]=1 80 B6R0.4 O=C(O)COCC M10016894P [0,1,0,0,0,0|2,0,0]=3 81 B6R0.4 O=C([O-])CNCO M10437440P [0,1,0,0,0,0|3,0,0]=4 82 B6R0.4 O=CCC[N+]([O-])=O M10302523P [0,1,0,0,0,0|2,0,0]=3 83 B6R0.4 O=NOCC(C)C M10013695P [0,1,0,0,0,0|3,0,0]=4 84 B6R0.4 O=[Sn](CCCC)O M10042008P [0,1,0,0,0,0|2,0,0]=3 85 B6R0.4 S=C(N)NCCC M10023251P [0,1,0,0,0,0|2,1,0]=4 86 B6R0.6 C=CCCCCCl M10208182P [0,1,0,0,0,0|2,0,0]=3 87 B6R0.6 C=CCOCCO M10003808P [0,1,0,0,0,0|3,0,0]=4 88 B6R0.6 CCCCCCI M10197538P [0,1,0,0,0,0|2,0,1]=4 89 B6R0.6 CCCCC[Mg]Br M10018552P [0,1,0,0,0,0|2,0,1]=4 90 B6R0.6 CCCOCCCl M10247973P [0,1,0,0,0,0|2,0,1]=4 91 B6R0.6 COBCCCC M10104694P [0,1,0,0,0,0|1,1,1]=4 92 B6R0.6 COCCCCCl M10152312P [0,1,0,0,0,0|1,1,1]=4 93 B6R0.6 C\C=C\C=C\C=O M10005449P [0,1,0,0,0,0|1,0,2]=4 94 B6R0.6 ClCCCN=C=O M10119739P [0,1,0,0,0,0|2,0,1]=4 95 B6R0.6 N#CCCCCBr M10073280P [0,1,0,0,0,0|2,0,1]=4 96 B6R0.6 N#CCCOCC M10040387P [0,1,0,0,0,0|1,1,1]=4 97 B6R0.6 NCCCCCN M10031362P [0,1,0,0,0,0|2,0,1]=4 98 B6R0.6 OCCCCNC M10247660P [0,1,0,0,0,0|1,0,2]=4 99 B6R0.6 [Li]CCCCCC M10170025P [0,1,0,0,0,0|2,0,1]=4 100 B6R1.1 C1=CC=CCC1 M10015100P [0,0,0,1,0,0|2,0,1]=4 101 B6R1.1 C1CCCCS1 M10033603P [0,0,0,1,0,0|1,0,1]=3 102 B6R1.1 C1CCCNN1 M10012589P [0,0,0,1,0,0|3,0,0]=4 103 B6R1.1 N1CCCCC1 M10083674P [0,0,0,1,0,0|2,0,1]=4 104 B6R1.1 N1CCNCC1 M10005439P [0,0,0,1,0,0|3,0,0]=4 105 B6R1.1 N1CCSCC1 M10082418P [0,0,0,1,0,0|2,0,0]=3 106 B6R1.1 O1CCSCC1 M10139809P [0,0,0,1,0,0|2,0,0]=3 107 B6R1.1 [NH2+]1CCCCC1 M10064261P [0,0,0,1,0,0|2,0,1]=4 108 B6R1.2 BrC1COCC1 M10160220P [0,0,0,1,0,0|1,1,1]=4 109 B6R1.2 C[C@H]1NCCC1 M10246674P [0,0,0,1,0,0|2,0,1]=4 110 B6R1.2 FC1CNCC1 M10798431P [0,0,0,1,0,0|2,0,1]=4 111 B6R1.2 F[C@@H]1CNCC1 M10742011P [0,0,0,1,0,0|2,0,1]=4 112 B6R1.2 F[C@H]1CNCC1 M10939528P [0,0,0,1,0,0|2,0,1]=4 113 B6R1.2 NC1=NCCC1 M10108538P [0,0,0,1,0,0|3,0,0]=4 114 B6R1.2 NC1CNCC1 M10474878P [0,0,0,1,0,0|2,0,1]=4 115 B6R1.2 NC1COCC1 M10544670P [0,0,0,1,0,0|1,1,1]=4 116 B6R1.2 NC1COCC1 M10831251P [0,0,0,1,0,0|1,1,1]=4 117 B6R1.2 NN1CCCC1 M10143774P [0,0,0,1,0,0|3,0,0]=4 118 B6R1.2 N[C@@H]1COCC1 M10654784P [0,0,0,1,0,0|1,1,1]=4 119 B6R1.2 N[C@@H]1COCC1 M10831252P [0,0,0,1,0,0|1,1,1]=4 120 B6R1.2 O=C1CNCC1 M10002481P [0,0,0,1,0,0|1,0,0]=2 121 B6R1.2 O=C1CNCC1 M10057424P [0,0,0,1,0,0|1,0,0]=2 122 B6R1.2 O=C1NCNC1 M10035055P [0,0,0,1,0,0|2,0,0]=3 123 B6R1.2 O=C1NCNC1 M10140916P [0,0,0,1,0,0|2,0,0]=3 124 B6R1.2 O=C1OCCO1 M10002484P [0,0,0,1,0,0|3,0,0]=4 125 B6R1.2 O=C1SCCN1 M10046694P [0,0,0,1,0,0|3,0,0]=4 126 B6R1.2 O[C@H]1COCC1 M10505325P [0,0,0,1,0,0|0,1,2]=4 127 B6R1.3 BrCCC1OC1 M10122432P [0,0,0,1,0,0|1,1,1]=4 128 B6R1.3 COC[C@H]1OC1 M10404629P [0,0,0,1,0,0|0,1,2]=4 129 B6R1.3 CSCC1OC1 M10251280P [0,0,0,1,0,0|0,0,2]=3 130 B6R1.6 N#CC1CCC1 M10063091P [0,0,0,1,0,0|2,0,1]=4 131 B6R1.6 N#CC1CNC1 M10863453P [0,0,0,1,0,0|2,0,1]=4 132 B6R1.6 NCC1COC1 M10085393P [0,0,0,1,0,0|1,1,1]=4 133 B6R1.6 NNC1CCC1 M11104847P [0,0,0,1,0,0|3,0,0]=4 134 B6R1.6 O=CC1CCC1 M10049905P [0,0,0,1,0,0|1,0,0]=2 135 B6R1.6 O=CC1COC1 M10128905P [0,0,0,1,0,0|0,1,0]=2 136 B6R1.6 OCC1CNC1 M10627648P [0,0,0,1,0,0|1,0,2]=4 137 B6R1.6 OCC1COC1 M10085394P [0,0,0,1,0,0|0,1,2]=4 138 B3R0.1 C#CC=O M10016729P [2,0,0,0,0,0|0,0,2]=4 139 B3R0.1 C=CCBr M12278706P [2,0,0,0,0,0|1,0,1]=4 140 B3R0.1 C=CCI M10014069P [2,0,0,0,0,0|1,0,1]=4 141 B3R0.1 C=CCN M10003408P [2,0,0,0,0,0|1,0,1]=4 142 B3R0.1 C=COC M10003420P [2,0,0,0,0,0|0,1,1]=4 143 B3R0.1 CCC#N M10003409P [2,0,0,0,0,0|1,0,1]=4 144 B3R0.1 CCC#N M10053961P [2,0,0,0,0,0|1,0,1]=4 145 B3R0.1 CCCN M10194639P [2,0,0,0,0,0|1,0,0]=3 146 B3R0.1 CCC[O-] M10018423P [2,0,0,0,0,0|0,0,1]=3 147 B3R0.1 CCC[O-] M10050959P [2,0,0,0,0,0|0,0,1]=3 148 B3R0.1 CCC[O-] M10180358P [2,0,0,0,0,0|0,0,1]=3 149 B3R0.1 CC[Mg]Br M10023187P [2,0,0,0,0,0|2,0,0]=4 150 B3R0.1 COCBr M10120227P [2,0,0,0,0,0|1,1,0]=4 151 B3R0.1 COCCl M10003424P [2,0,0,0,0,0|1,1,0]=4 152 B3R0.1 CONC M10027051P [2,0,0,0,0,0|1,1,0]=4 153 B3R0.1 C[Se][Se]C M10100996P [2,0,0,0,0,0|1,1,0]=4 154 B3R0.1 Cl[Mg]CC M10043221P [2,0,0,0,0,0|2,0,0]=4 155 B3R0.1 NCCO M10038856P [2,0,0,0,0,0|1,0,1]=4 156 B3R0.1 NOCC M10053406P [2,0,0,0,0,0|1,1,0]=4 157 B3R0.1 OCC=O M12277445P [2,0,0,0,0,0|0,1,0]=3 158 B3R0.1 ONCC M10249174P [2,0,0,0,0,0|1,0,1]=4 159 B5R0.1 C=C(OCC)C M10023218P [1,1,0,0,0,0|2,0,0]=4 160 B5R0.1 C=COC(C)C M10023217P [1,1,0,0,0,0|2,0,0]=4 161 B5R0.1 CC(C)CCI M10013642P [1,1,0,0,0,0|1,0,1]=4 162 B5R0.1 CC(C)C[Mg]Br M10023214P [1,1,0,0,0,0|2,0,0]=4 163 B5R0.1 CC(CC#N)=O M10044340P [1,1,0,0,0,0|1,0,1]=4 164 B5R0.1 CC(CCCl)=O M10089400P [1,1,0,0,0,0|1,0,0]=3 165 B5R0.1 CC(COC)=O M10081509P [1,1,0,0,0,0|0,1,0]=3 166 B5R0.1 CC(N)CCC M10393249P [1,1,0,0,0,0|1,0,1]=4 167 B5R0.1 CC(N)CCO M10048445P [1,1,0,0,0,0|0,0,2]=4 168 B5R0.1 CC(OC=O)=O M10041862P [1,1,0,0,0,0|1,0,1]=4 169 B5R0.1 CC(OCC)=N M10041195P [1,1,0,0,0,0|2,0,0]=4 170 B5R0.1 CSCS(C)=O M10220911P [1,1,0,0,0,0|1,0,0]=3 171 B5R0.1 C[C@@H](N)CCO M10335804P [1,1,0,0,0,0|0,0,2]=4 172 B5R0.1 C[C@@H](O)CC#N M10720686P [1,1,0,0,0,0|1,0,1]=4 173 B5R0.1 C[C@@H](O)COC M10067779P [1,1,0,0,0,0|0,1,1]=4 174 B5R0.1 C[C@H](N)CCO M10335803P [1,1,0,0,0,0|0,0,2]=4 175 B5R0.1 C[C@H](O)CC#N M10717808P [1,1,0,0,0,0|1,0,1]=4 176 B5R0.1 C[C@H](O)COC M10194416P [1,1,0,0,0,0|0,1,1]=4 177 B5R0.1 C\C=C\C(Cl)=O M10016774P [1,1,0,0,0,0|0,0,2]=4 178 B5R0.1 C\C=C\C(Cl)=O M10115520P [1,1,0,0,0,0|0,0,2]=4 179 B5R0.1 ClCOC(C)=O M10016791P [1,1,0,0,0,0|2,0,0]=4 180 B5R0.1 NC(OCC)=N M10213773P [1,1,0,0,0,0|2,0,0]=4 181 B5R0.1 NCCN(C)C M10003486P [1,1,0,0,0,0|2,0,0]=4 182 B5R0.1 NNCC(C)C M10843147P [1,1,0,0,0,0|2,0,0]=4 183 B5R0.1 O=C(Cl)OCCl M10173503P [1,1,0,0,0,0|2,0,0]=4 184 B5R0.1 O=C(O)CCF M10011311P [1,1,0,0,0,0|1,0,0]=3 185 B5R0.1 O=C(O)CCO M10012525P [1,1,0,0,0,0|0,1,0]=3 186 B5R0.1 O=C([O-])CNC M10061947P [1,1,0,0,0,0|1,0,0]=3 187 B5R0.1 O=NOC(C)C M10013647P [1,1,0,0,0,0|2,0,0]=4 188 B5R0.1 O=[N+](CCO)[O-] M10016784P [1,1,0,0,0,0|1,1,0]=4 189 B5R0.3 C=CC(O)CC M10016219P [1,1,0,0,0,0|1,0,0]=3 190 B5R0.3 C=C[C@H](O)CO M10361006P [1,1,0,0,0,0|1,1,0]=4 191 B5R0.3 CCC(Br)CC M10036560P [1,1,0,0,0,0|1,0,1]=4 192 B5R0.3 CCC(C)CBr M10114990P [1,1,0,0,0,0|1,0,1]=4 193 B5R0.3 CCC(C)CS M10037434P [1,1,0,0,0,0|0,1,1]=4 194 B5R0.3 CCC(C=O)=C M10023101P [1,1,0,0,0,0|0,0,1]=3 195 B5R0.3 CCC(N)CC M10016218P [1,1,0,0,0,0|1,0,1]=4 196 B5R0.3 CCC(N)CO M10120213P [1,1,0,0,0,0|0,0,2]=4 197 B5R0.3 CCC([Mg]Br)C M10023104P [1,1,0,0,0,0|2,0,0]=4 198 B5R0.3 CCC([Mg]Cl)C M12278734P [1,1,0,0,0,0|2,0,0]=4 199 B5R0.3 O=C(OC)C=O M10023106P [1,1,0,0,0,0|0,1,1]=4 200 B7R0.2 O=C(Cl)OC(C)CC M10149751P [0,2,0,0,0,0|2,0,0]=4 201 B7R0.2 O=C(O)CC(O)CN M10190010P [0,2,0,0,0,0|2,0,0]=4 202 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [0,2,0,0,0,0|2,0,0]=4 203 B7R0.3 C=CC(NCCC)=O M10192147P [0,2,0,0,0,0|2,0,0]=4 204 B7R0.3 C=CC(O)CCCC M10067454P [0,2,0,0,0,0|2,0,0]=4 205 B7R0.3 O=C(OC)CCC=O M10126962P [0,2,0,0,0,0|0,1,0]=3 206 B7R0.3 O=C(OC)CCCN M10119950P [0,2,0,0,0,0|2,0,0]=4 207 B7R0.3 O=C(OCCC)CBr M10226573P [0,2,0,0,0,0|2,0,0]=4 208 B7R0.5 C#CC[C@H](N)C(O)=O M10179000P [0,2,0,0,0,0|1,0,1]=4 209 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [0,2,0,0,0,0|1,0,1]=4 210 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [0,2,0,0,0,0|1,0,1]=4 211 B7R0.5 CC(C(CCC)=O)=O M10058081P [0,2,0,0,0,0|1,0,1]=4 212 B7R0.5 CCCC(Br)C(O)=O M10014810P [0,2,0,0,0,0|1,0,0]=3 213 B7R0.5 CCCC(C)C(O)=O M10209692P [0,2,0,0,0,0|1,0,0]=3 214 B7R0.5 O=C(O)C(Cl)COC M10045189P [0,2,0,0,0,0|0,1,0]=3 215 B7R0.5 O=C(O)C(F)CCN M10193859P [0,2,0,0,0,0|2,0,0]=4 216 B7R0.5 O=C(O)C(N)CCN M10024859P [0,2,0,0,0,0|2,0,0]=4 217 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [0,2,0,0,0,0|0,1,0]=3 218 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [0,2,0,0,0,0|0,1,0]=3 219 B7R0.5 O=C(O)[C@H](N)COC M10505436P [0,2,0,0,0,0|0,1,0]=3 220 B7R0.5 O=C(O)[C@H](N)COC M10505437P [0,2,0,0,0,0|0,1,0]=3 221 B7R0.10 CCC(C)C(C)C=O M10218111P [0,2,0,0,0,0|1,0,0]=3 222 B7R0.4 CC(CCCCBr)=O M10113189P [0,2,0,0,0,0|1,0,0]=3 223 B7R0.4 CC(OCCOC)=O M10003718P [0,2,0,0,0,0|0,1,0]=3 224 B7R0.4 CCCCCC(Cl)=O M10005436P [0,2,0,0,0,0|1,0,0]=3 225 B7R0.4 O=C(Cl)OCCCCl M10016962P [0,2,0,0,0,0|2,0,0]=4 226 B7R0.4 O=C(N)COCCCl M10232141P [0,2,0,0,0,0|2,0,0]=4 227 B7R0.4 O=C(N)NCCCC M10195780P [0,2,0,0,0,0|1,0,0]=3 228 B7R0.4 O=C(N)NCCCC M10200467P [0,2,0,0,0,0|1,0,0]=3 229 B7R0.4 O=C(O)CCCC#N M10239045P [0,2,0,0,0,0|1,0,1]=4 230 B7R0.4 O=C(O)CCCCO M10123275P [0,2,0,0,0,0|1,0,0]=3 231 B7R0.4 O=C(O)CCOCC M10062024P [0,2,0,0,0,0|0,1,0]=3 232 B7R0.4 O=C(O)CNCCN M10183221P [0,2,0,0,0,0|2,0,0]=4 233 B7R0.4 O=C(O)COCCC M10276951P [0,2,0,0,0,0|1,0,0]=3 234 B7R0.4 O=C([O-])CCCCO M10233260P [0,2,0,0,0,0|1,0,0]=3 235 B7R0.6 CC(CCC([O-])=O)=O M10183682P [0,2,0,0,0,0|1,0,0]=3 236 B7R0.6 C[S+](CCC(O)=O)C M10062116P [0,2,0,0,0,0|0,0,1]=3 237 B7R0.6 O=C(C)CCC([O-])=O M10015062P [0,2,0,0,0,0|1,0,0]=3 238 B7R0.6 O=C(Cl)OCC(C)C M10013714P [0,2,0,0,0,0|2,0,0]=4 239 B7R0.6 O=C(O)CCN(C)C M10133339P [0,2,0,0,0,0|1,0,0]=3 240 B7R0.6 O=C([O-])CCC([O-])=O M10041518P [0,2,0,0,0,0|2,0,0]=4 241 B7R0.6 O=C([O-])CCC([O-])=O M10384426P [0,2,0,0,0,0|2,0,0]=4 242 B7R0.1 C=CCCCCCCl M10023319P [0,2,0,0,0,0|2,0,0]=4 243 B7R0.1 OCCCCOC=C M10151868P [0,2,0,0,0,0|2,0,0]=4 244 B5R1.1 C1CCCS1 M10003672P [1,0,0,1,0,0|0,0,1]=3 245 B5R1.1 O1NCCC1 M10012567P [1,0,0,1,0,0|1,0,1]=4 246 B5R1.2 BrC1COC1 M10239305P [1,0,0,1,0,0|1,1,0]=4 247 B5R1.2 ClC1CCC1 M10027170P [1,0,0,1,0,0|1,0,1]=4 248 B5R1.2 NC1CNC1 M10646351P [1,0,0,1,0,0|2,0,0]=4 249 B5R1.2 NC1CNC1 M10646354P [1,0,0,1,0,0|2,0,0]=4 250 B5R1.2 O=C1CNC1 M10150179P [1,0,0,1,0,0|1,0,0]=3 251 B5R1.2 O=C1CSC1 M10173528P [1,0,0,1,0,0|0,0,0]=2 252 B5R1.2 O=C1NCC1 M10023349P [1,0,0,1,0,0|1,0,0]=3 253 B5R1.2 OC1CNC1 M10251272P [1,0,0,1,0,0|1,0,1]=4 254 B5R1.3 Br[Mg]C1CC1 M10181403P [1,0,0,1,0,0|2,0,0]=4 255 B5R1.3 CC[C@H]1OC1 M10057431P [1,0,0,1,0,0|0,0,2]=4 256 B5R1.3 CNC1CC1 M10424936P [1,0,0,1,0,0|1,0,1]=4 257 B5R1.3 NNC1CC1 M10835729P [1,0,0,1,0,0|2,0,0]=4 258 B7R1.1 O=CC1OCCC1 M10109701P [0,1,0,1,0,0|1,0,0]=3 259 B7R1.2 N[C@H]1COC(C1)=O M10174878P [0,1,0,1,0,0|2,0,0]=4 260 B7R1.2 O=C1CC(CC1)=O M10058164P [0,1,0,1,0,0|1,0,0]=3 261 B7R1.2 O=C1CN(C)CC1 M10472463P [0,1,0,1,0,0|1,0,0]=3 262 B7R1.2 O=C1N=C(N)SC1 M10014084P [0,1,0,1,0,0|1,0,1]=4 263 B7R1.2 O=C1N=C(N)SC1 M10040985P [0,1,0,1,0,0|1,0,1]=4 264 B7R1.2 O=C1NC(CC1)=O M10004579P [0,1,0,1,0,0|2,0,0]=4 265 B7R1.2 O=C1OC(C)=CC1 M10015036P [0,1,0,1,0,0|1,0,1]=4 266 B7R1.2 O=C1OC(CO1)C M10003516P [0,1,0,1,0,0|2,0,0]=4 267 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [0,1,0,1,0,0|2,0,0]=4 268 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [0,1,0,1,0,0|2,0,0]=4 269 B7R1.3 BrC1=CCOCC1 M10183929P [0,1,0,1,0,0|1,1,0]=4 270 B7R1.3 ClC1=CCCCC1 M10208207P [0,1,0,1,0,0|2,0,0]=4 271 B7R1.3 NC1CCSCC1 M10172428P [0,1,0,1,0,0|1,0,1]=4 272 B7R1.3 NC1CCSCC1 M10842884P [0,1,0,1,0,0|1,0,1]=4 273 B7R1.3 O=C1CCNCC1 M10246538P [0,1,0,1,0,0|1,0,0]=3 274 B7R1.3 O=C1CCNCC1 M10247465P [0,1,0,1,0,0|1,0,0]=3 275 B7R1.3 O=C1CCNCC1 M10857977P [0,1,0,1,0,0|1,0,0]=3 276 B7R1.3 O=C1CCOCC1 M10179636P [0,1,0,1,0,0|0,1,0]=3 277 B7R1.3 O=C1CNCCC1 M10342345P [0,1,0,1,0,0|1,0,0]=3 278 B7R1.3 O=C1NCCCN1 M10037131P [0,1,0,1,0,0|2,0,0]=4 279 B7R1.3 O=C1OCCOC1 M10050467P [0,1,0,1,0,0|0,1,0]=3 280 B7R1.3 O=S1CCCCC1 M10067807P [0,1,0,1,0,0|1,0,1]=4 281 B7R1.4 C=C1CCOC1=O M10013811P [0,1,0,1,0,0|1,0,1]=4 282 B7R1.4 CC1=CCCC1=O M10027183P [0,1,0,1,0,0|1,0,0]=3 283 B7R1.4 O=C1C(Br)CCC1 M10172483P [0,1,0,1,0,0|1,0,0]=3 284 B7R1.4 O=C1C(C)CCC1 M10027182P [0,1,0,1,0,0|1,0,0]=3 285 B7R1.4 O=C1C(Cl)CCC1 M10018599P [0,1,0,1,0,0|1,0,0]=3 286 B7R1.4 O=C1NCCC1O M10135336P [0,1,0,1,0,0|2,0,0]=4 287 B7R1.4 O=C1NCC[C@@H]1N M10060287P [0,1,0,1,0,0|2,0,0]=4 288 B7R1.4 O=C1NCC[C@@H]1N M10288485P [0,1,0,1,0,0|2,0,0]=4 289 B7R1.4 O=C1NCC[C@H]1O M10468150P [0,1,0,1,0,0|2,0,0]=4 290 B7R1.10 N#CC1CC(C1)=O M10164982P [0,1,0,1,0,0|2,0,0]=4 291 B7R1.10 O=C1CC(CO)C1 M10810765P [0,1,0,1,0,0|2,0,0]=4 292 B7R1.18 N=C(C1CCC1)N M10444128P [0,1,0,1,0,0|2,0,0]=4 293 B7R1.18 O=C(C1NCC1)O M10164146P [0,1,0,1,0,0|2,0,0]=4 294 B7R1.18 O=C(C1OCC1)O M10006194P [0,1,0,1,0,0|2,0,0]=4 295 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [0,1,0,1,0,0|2,0,0]=4 296 B7R1.18 O=C([C@H]1NCC1)O M10875068P [0,1,0,1,0,0|2,0,0]=4