0 B7R1.2 CC1=CC=C(Br)O1 M10718133P [0,0,0,0,0,0|1,0,3]=4 1 B7R1.2 CC1OS(OC1)=O M10031271P [0,0,0,0,0,0|2,0,0]=2 2 B7R1.2 CN1CC(Br)CC1 M10116614P [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 CN1C[C@H](O)CC1 M10655228P [0,0,0,0,0,0|2,0,2]=4 4 B7R1.2 NC1=NC=C(C)O1 M10219349P [0,0,0,0,0,0|2,0,2]=4 5 B7R1.2 N[C@H]1COC(C1)=O M10174878P [0,0,0,0,0,0|3,0,0]=3 6 B7R1.2 O=C1CC(CC1)=O M10058164P [0,0,0,0,0,0|2,0,1]=3 7 B7R1.2 O=C1CN(C)CC1 M10472463P [0,0,0,0,0,0|2,0,0]=2 8 B7R1.2 O=C1N=C(N)SC1 M10014084P [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 O=C1N=C(N)SC1 M10040985P [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 O=C1NC(C)=CN1 M10028708P [0,0,0,0,0,0|2,0,2]=4 11 B7R1.2 O=C1NC(CC1)=O M10004579P [0,0,0,0,0,0|2,0,1]=3 12 B7R1.2 O=C1NCC(O1)=O M10040935P [0,0,0,0,0,0|2,0,1]=3 13 B7R1.2 O=C1OC(C)=CC1 M10015036P [0,0,0,0,0,0|0,0,2]=2 14 B7R1.2 O=C1OC(CO1)C M10003516P [0,0,0,0,0,0|1,0,0]=1 15 B7R1.2 O=C1OCC(Cl)O1 M10058922P [0,0,0,0,0,0|2,0,0]=2 16 B7R1.2 O=C1OCC(F)O1 M10694293P [0,0,0,0,0,0|2,0,0]=2 17 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [0,0,0,0,0,0|1,0,0]=1 18 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [0,0,0,0,0,0|3,0,0]=3 19 B7R1.2 OC1CC(N)CC1 M10107887P [0,0,0,0,0,0|2,0,2]=4 20 B7R1.2 OC1CC(N)CC1 M10126049P [0,0,0,0,0,0|2,0,2]=4 21 B7R1.2 O[C@@H]1C[C@H](N)CC1 M10095935P [0,0,0,0,0,0|2,0,2]=4 22 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127739P [0,0,0,0,0,0|2,0,2]=4 23 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127951P [0,0,0,0,0,0|2,0,2]=4 24 B6R1.2 BrC1COCC1 M10160220P [1,0,0,0,0,0|3,0,0]=4 25 B6R1.2 CC1=NCCO1 M10027175P [1,0,0,0,0,0|2,0,0]=3 26 B6R1.2 CC1=NCCS1 M10042677P [1,0,0,0,0,0|2,1,0]=4 27 B6R1.2 CC1SCCS1 M10078227P [1,0,0,0,0,0|1,1,1]=4 28 B6R1.2 C[C@H]1NCCC1 M10246674P [1,0,0,0,0,0|1,0,1]=3 29 B6R1.2 FC1CNCC1 M10798431P [1,0,0,0,0,0|3,0,0]=4 30 B6R1.2 F[C@@H]1CNCC1 M10742011P [1,0,0,0,0,0|3,0,0]=4 31 B6R1.2 F[C@H]1CNCC1 M10939528P [1,0,0,0,0,0|3,0,0]=4 32 B6R1.2 NC1=NCCC1 M10108538P [1,0,0,0,0,0|2,0,0]=3 33 B6R1.2 NC1=NCCS1 M11190924P [1,0,0,0,0,0|2,1,0]=4 34 B6R1.2 NC1CC=CC1 M10604219P [1,0,0,0,0,0|2,0,1]=4 35 B6R1.2 NC1CNCC1 M10474878P [1,0,0,0,0,0|3,0,0]=4 36 B6R1.2 NC1COCC1 M10544670P [1,0,0,0,0,0|3,0,0]=4 37 B6R1.2 NC1COCC1 M10831251P [1,0,0,0,0,0|3,0,0]=4 38 B6R1.2 NN1CCCC1 M10143774P [1,0,0,0,0,0|3,0,0]=4 39 B6R1.2 N[C@@H]1COCC1 M10654784P [1,0,0,0,0,0|3,0,0]=4 40 B6R1.2 N[C@@H]1COCC1 M10831252P [1,0,0,0,0,0|3,0,0]=4 41 B6R1.2 O=C1CNCC1 M10002481P [1,0,0,0,0,0|2,0,0]=3 42 B6R1.2 O=C1CNCC1 M10057424P [1,0,0,0,0,0|2,0,0]=3 43 B6R1.2 O=C1NCNC1 M10035055P [1,0,0,0,0,0|2,0,0]=3 44 B6R1.2 O=C1NCNC1 M10140916P [1,0,0,0,0,0|2,0,0]=3 45 B6R1.2 O=C1OCCO1 M10002484P [1,0,0,0,0,0|1,0,0]=2 46 B6R1.2 O=C1SCCN1 M10046694P [1,0,0,0,0,0|1,1,0]=3 47 B6R1.2 O=S1OCCO1 M10057276P [1,0,0,0,0,0|2,0,0]=3 48 B6R1.2 OC1CC=CC1 M10130348P [1,0,0,0,0,0|2,0,1]=4 49 B6R1.2 O[C@H]1COCC1 M10505325P [1,0,0,0,0,0|3,0,0]=4 50 B8R1.1 O=C1NCC(CN)C1 M10938946P [0,1,0,0,0,0|2,0,0]=3 51 B8R1.1 O=C1N[C@@H](CO)CC1 M10421051P [0,1,0,0,0,0|1,0,0]=2 52 B8R1.1 O=C1N[C@H](CBr)CC1 M10447477P [0,1,0,0,0,0|1,0,0]=2 53 B8R1.1 O=C1N[C@H](CN)CC1 M10768385P [0,1,0,0,0,0|1,0,0]=2 54 B8R1.1 O=C1N[C@H](CO)CC1 M10148902P [0,1,0,0,0,0|1,0,0]=2 55 B8R1.1 O=C1OCC(CO)O1 M10023416P [0,1,0,0,0,0|1,0,0]=2 56 B8R1.1 O=C1O[C@H](CO)C=C1 M10471936P [0,1,0,0,0,0|0,0,2]=3 57 B8R1.1 O=C1O[C@H](CO)CC1 M10218224P [0,1,0,0,0,0|0,0,0]=1 58 B8R1.1 OC[C@@H]1CN(C)CC1 M11113858P [0,1,0,0,0,0|3,0,0]=4 59 B8R1.18 O=C1CC(C)C(C)C1 M10207594P [0,1,0,0,0,0|1,0,0]=2 60 B8R1.18 O=C1OC(O)C(C)=C1 M10244090P [0,1,0,0,0,0|1,0,2]=4 61 B8R1.50 O=C1C(C(C)CC1)=O M10020173P [0,1,0,0,0,0|1,0,0]=2 62 B8R1.50 O=C1CCC(N1Br)=O M10004790P [0,1,0,0,0,0|2,0,1]=4 63 B8R1.50 O=C1COC(C)=C1O M10160292P [0,1,0,0,0,0|2,0,1]=4 64 B8R1.51 NC1CCS(C1)(=O)=O M10260914P [0,1,0,0,0,0|3,0,0]=4 65 B8R1.51 O=C1CCS(C1)(=O)=O M10147341P [0,1,0,0,0,0|3,0,0]=4 66 B6R0.1 C=CC(NCC)=O M10081542P [0,0,1,0,0,0|1,0,2]=4 67 B6R0.1 C=CC(OCC)=O M10186126P [0,0,1,0,0,0|0,0,2]=3 68 B6R0.1 CC#CC(OC)=O M10179372P [0,0,1,0,0,0|2,0,1]=4 69 B6R0.1 CCCC(NN)=O M10055378P [0,0,1,0,0,0|3,0,0]=4 70 B6R0.1 C\C=C\C(OC)=O M10156893P [0,0,1,0,0,0|2,0,1]=4 71 B6R0.1 O=C(C#N)OCC M10016649P [0,0,1,0,0,0|1,0,1]=3 72 B6R0.1 O=C(OC)CCN M10060379P [0,0,1,0,0,0|3,0,0]=4 73 B6R0.1 O=C(OC=C)CCl M10186320P [0,0,1,0,0,0|1,0,2]=4 74 B6R0.1 O=C(OCC)CBr M10003242P [0,0,1,0,0,0|1,0,0]=2 75 B6R0.1 O=C(OCC)CN M10011247P [0,0,1,0,0,0|1,0,0]=2 76 B6R0.2 CC(CC(C)=O)=O M10123299P [0,0,1,0,0,0|2,0,1]=4 77 B6R0.2 CC(N)CC(C)C M10444558P [0,0,1,0,0,0|2,0,1]=4 78 B6R0.2 CC(N)CC(O)=O M10187780P [0,0,1,0,0,0|3,0,0]=4 79 B6R0.2 CC(NC(C)C)C M10017887P [0,0,1,0,0,0|2,0,1]=4 80 B6R0.2 CC(O)CC([O-])=O M10005658P [0,0,1,0,0,0|3,0,0]=4 81 B6R0.2 CC(OC(Br)C)=O M10242154P [0,0,1,0,0,0|1,0,0]=2 82 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [0,0,1,0,0,0|3,0,0]=4 83 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [0,0,1,0,0,0|3,0,0]=4 84 B6R0.2 C[C@H](N)CC(O)=O M10057573P [0,0,1,0,0,0|3,0,0]=4 85 B6R0.2 C[C@H](N)CC(O)=O M10302309P [0,0,1,0,0,0|3,0,0]=4 86 B6R0.2 C[C@H](O)CC(O)=O M10084600P [0,0,1,0,0,0|3,0,0]=4 87 B6R0.2 C[S+](CC([O-])=O)C M10065707P [0,0,1,0,0,0|3,0,0]=4 88 B6R0.2 NC(C)CC(C)C M10003493P [0,0,1,0,0,0|2,0,1]=4 89 B6R0.2 O=C(Cl)C=C(C)C M10053608P [0,0,1,0,0,0|2,0,1]=4 90 B6R0.2 O=C([O-])CN(C)C M10154757P [0,0,1,0,0,0|3,0,0]=4 91 B6R0.4 C#CCCC(O)=O M10083651P [0,0,1,0,0,0|0,0,2]=3 92 B6R0.4 C=CCCC(Cl)=O M10240332P [0,0,1,0,0,0|1,0,2]=4 93 B6R0.4 CC(C)CCC=O M10027096P [0,0,1,0,0,0|1,0,0]=2 94 B6R0.4 CC(C)CCCBr M10016880P [0,0,1,0,0,0|2,0,1]=4 95 B6R0.4 CC(C)CCCO M10016881P [0,0,1,0,0,0|1,0,2]=4 96 B6R0.4 CC(C)CN=C=O M10037383P [0,0,1,0,0,0|2,0,1]=4 97 B6R0.4 CC(CCC=C)=O M10003621P [0,0,1,0,0,0|1,0,2]=4 98 B6R0.4 CC(CCCBr)=O M10058337P [0,0,1,0,0,0|2,0,0]=3 99 B6R0.4 CC(NCCO)=O M10005418P [0,0,1,0,0,0|3,0,0]=4 100 B6R0.4 CC(O)CCCO M10016886P [0,0,1,0,0,0|0,0,2]=3 101 B6R0.4 CC(OCCO)=O M10013697P [0,0,1,0,0,0|3,0,0]=4 102 B6R0.4 CC\C=C\C(O)=O M10016889P [0,0,1,0,0,0|0,0,2]=3 103 B6R0.4 CC\C=C\C([O-])=O M12008293P [0,0,1,0,0,0|0,0,3]=4 104 B6R0.4 O=C(Cl)CCCBr M10023246P [0,0,1,0,0,0|2,0,0]=3 105 B6R0.4 O=C(Cl)OCCCl M10016902P [0,0,1,0,0,0|3,0,0]=4 106 B6R0.4 O=C(N)NCCO M10039744P [0,0,1,0,0,0|3,0,0]=4 107 B6R0.4 O=C(O)CCC#N M10140304P [0,0,1,0,0,0|1,0,1]=3 108 B6R0.4 O=C(O)CCCCl M10016891P [0,0,1,0,0,0|1,0,0]=2 109 B6R0.4 O=C(O)CCOC M10045190P [0,0,1,0,0,0|1,0,0]=2 110 B6R0.4 O=C(O)CCSC M10017612P [0,0,1,0,0,0|1,0,0]=2 111 B6R0.4 O=C(O)COCC M10016894P [0,0,1,0,0,0|1,0,0]=2 112 B6R0.4 O=C(O)\C=C\CBr M10127900P [0,0,1,0,0,0|1,0,2]=4 113 B6R0.4 O=C([O-])CNCO M10437440P [0,0,1,0,0,0|2,0,1]=4 114 B6R0.4 O=CCC[N+]([O-])=O M10302523P [0,0,1,0,0,0|2,0,1]=4 115 B6R0.4 O=NOCC(C)C M10013695P [0,0,1,0,0,0|3,0,0]=4 116 B6R0.4 O=[Sn](CCCC)O M10042008P [0,0,1,0,0,0|1,0,0]=2 117 B6R0.4 S=C(N)NCCC M10023251P [0,0,1,0,0,0|2,1,0]=4 118 B6R1.5 NC1CC(C)C1 M10568222P [0,0,0,0,1,0|2,0,1]=4 119 B8R1.3 N[C@H]1CC[C@H](C)CC1 M10220545P [0,0,0,0,0,1|2,0,1]=4 120 B8R1.3 O=C1CCC(C)=NN1 M10069197P [0,0,0,0,0,1|1,0,1]=3 121 B8R1.3 OC1CCC(C)CC1 M10014985P [0,0,0,0,0,1|1,0,2]=4 122 B8R1.3 O[C@H]1CC[C@H](C)CC1 M10110148P [0,0,0,0,0,1|1,0,2]=4 123 B8R1.4 CC1CCCC(C)N1 M10012541P [0,0,0,0,0,1|2,0,1]=4 124 B8R1.4 CC1OC(C)CNC1 M10005400P [0,0,0,0,0,1|1,0,1]=3 125 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 M10791340P [0,0,0,0,0,1|2,0,1]=4 126 B8R1.4 O=C1CC(COC1)=O M10331423P [0,0,0,0,0,1|2,0,1]=4 127 B8R1.4 O=C1CC(CSC1)=O M10096924P [0,0,0,0,0,1|2,0,1]=4 128 B8R1.4 O=C1CN(C)CCC1 M10077248P [0,0,0,0,0,1|2,0,0]=3 129 B8R1.4 O=C1NCCC(O)C1 M10882636P [0,0,0,0,0,1|2,0,0]=3 130 B8R1.4 O=C1NCCN(C)C1 M10224934P [0,0,0,0,0,1|2,0,0]=3 131 B8R1.4 O=C1NCC[C@H](O)C1 M10882637P [0,0,0,0,0,1|2,0,0]=3 132 B5R0.1 C=C(OCC)C M10023218P [1,0,1,0,0,0|1,0,0]=3 133 B5R0.1 C=COC(C)C M10023217P [1,0,1,0,0,0|0,0,1]=3 134 B5R0.1 CC(C)CCI M10013642P [1,0,1,0,0,0|2,0,0]=4 135 B5R0.1 CC(CCCl)=O M10089400P [1,0,1,0,0,0|2,0,0]=4 136 B5R0.1 CC(COC)=O M10081509P [1,0,1,0,0,0|2,0,0]=4 137 B5R0.1 CC(N)CCC M10393249P [1,0,1,0,0,0|1,0,1]=4 138 B5R0.1 CC(N)CCO M10048445P [1,0,1,0,0,0|1,0,1]=4 139 B5R0.1 CC(OC=O)=O M10041862P [1,0,1,0,0,0|1,0,1]=4 140 B5R0.1 CC(OCC)=N M10041195P [1,0,1,0,0,0|1,0,0]=3 141 B5R0.1 C[C@@H](N)CCO M10335804P [1,0,1,0,0,0|1,0,1]=4 142 B5R0.1 C[C@@H](O)CC#N M10720686P [1,0,1,0,0,0|1,0,1]=4 143 B5R0.1 C[C@@H](O)COC M10067779P [1,0,1,0,0,0|1,0,1]=4 144 B5R0.1 C[C@H](N)CCO M10335803P [1,0,1,0,0,0|1,0,1]=4 145 B5R0.1 C[C@H](O)CC#N M10717808P [1,0,1,0,0,0|1,0,1]=4 146 B5R0.1 C[C@H](O)COC M10194416P [1,0,1,0,0,0|1,0,1]=4 147 B5R0.1 C[SiH](OCC)C M10133661P [1,0,1,0,0,0|0,1,1]=4 148 B5R0.1 ClCOC(C)=O M10016791P [1,0,1,0,0,0|1,0,0]=3 149 B5R0.1 NC(OCC)=N M10213773P [1,0,1,0,0,0|2,0,0]=4 150 B5R0.1 O=C(Cl)OCCl M10173503P [1,0,1,0,0,0|2,0,0]=4 151 B5R0.1 O=C(O)CCF M10011311P [1,0,1,0,0,0|1,0,0]=3 152 B5R0.1 O=C(O)CCO M10012525P [1,0,1,0,0,0|1,0,0]=3 153 B5R0.1 O=C([O-])CNC M10061947P [1,0,1,0,0,0|1,0,1]=4 154 B5R0.1 O=NOC(C)C M10013647P [1,0,1,0,0,0|1,0,0]=3 155 B5R0.2 C=CCCCCl M10023281P [1,0,1,0,0,0|2,0,0]=4 156 B5R0.2 C=CCOCC M10014106P [1,0,1,0,0,0|2,0,0]=4 157 B5R0.2 C=COCCO M10020115P [1,0,1,0,0,0|2,0,0]=4 158 B5R0.2 CCCN=C=O M10003745P [1,0,1,0,0,0|1,0,1]=4 159 B5R0.2 CCCOC=C M10020114P [1,0,1,0,0,0|1,0,0]=3 160 B5R0.2 CCOCCCl M10016975P [1,0,1,0,0,0|1,0,1]=4 161 B5R0.2 CCSCCO M10003744P [1,0,1,0,0,0|1,0,1]=4 162 B5R0.2 CC[Se][Se]CC M10016980P [1,0,1,0,0,0|1,1,0]=4 163 B5R0.2 C\C=C\OCC M10023285P [1,0,1,0,0,0|0,0,1]=3 164 B5R0.2 Cl[Mg]CCCC M10018540P [1,0,1,0,0,0|2,0,0]=4 165 B5R0.2 OCCCCBr M10196369P [1,0,1,0,0,0|1,0,1]=4 166 B5R0.2 OCCCCBr M10219049P [1,0,1,0,0,0|1,0,1]=4 167 B5R0.2 OCCCCCl M10030203P [1,0,1,0,0,0|1,0,1]=4 168 B5R0.3 C=CC(O)CC M10016219P [1,0,1,0,0,0|2,0,0]=4 169 B5R0.3 CCC(Br)CC M10036560P [1,0,1,0,0,0|1,0,1]=4 170 B5R0.3 CCC(C)CBr M10114990P [1,0,1,0,0,0|1,0,1]=4 171 B5R0.3 CCC(C)CS M10037434P [1,0,1,0,0,0|0,1,1]=4 172 B5R0.3 CCC(C=O)=C M10023101P [1,0,1,0,0,0|0,0,2]=4 173 B5R0.3 CCC(CBr)=O M10021171P [1,0,1,0,0,0|1,0,0]=3 174 B5R0.3 CCC(N)CC M10016218P [1,0,1,0,0,0|1,0,1]=4 175 B5R0.3 CCC(NC)=O M10028553P [1,0,1,0,0,0|1,0,0]=3 176 B5R0.3 CCC([Mg]Br)C M10023104P [1,0,1,0,0,0|2,0,0]=4 177 B5R0.3 CCC([Mg]Cl)C M12278734P [1,0,1,0,0,0|2,0,0]=4 178 B5R0.3 CC[Al](Cl)CC M10002450P [1,0,1,0,0,0|2,0,0]=4 179 B5R0.3 O=C(CBr)CBr M10204064P [1,0,1,0,0,0|2,0,0]=4 180 B5R0.3 O=C(CO)CO M10002465P [1,0,1,0,0,0|2,0,0]=4 181 B5R0.3 O=C(OC)C=O M10023106P [1,0,1,0,0,0|1,0,1]=4 182 B5R0.3 O=C(OC)CBr M10002471P [1,0,1,0,0,0|1,0,0]=3 183 B5R0.3 O=C(OC)OC M10016226P [1,0,1,0,0,0|1,0,0]=3 184 B5R0.3 O=S(OC)OC M10016229P [1,0,1,0,0,0|2,0,0]=4 185 B5R1.1 C1CCCS1 M10003672P [2,0,0,0,0,0|0,1,1]=4 186 B5R1.1 O1NCCC1 M10012567P [2,0,0,0,0,0|1,0,0]=3 187 B7R0.2 CC(N)CC(OC)=O M10083532P [0,1,1,0,0,0|2,0,0]=4 188 B7R0.2 CC(O)CC(OC)=O M10031579P [0,1,1,0,0,0|2,0,0]=4 189 B7R0.2 C[C@@H](N)CC(OC)=O M10650212P [0,1,1,0,0,0|2,0,0]=4 190 B7R0.2 O=C(Cl)OC(C)CC M10149751P [0,1,1,0,0,0|0,0,0]=2 191 B7R0.2 O=C(NC(C)C)CBr M10460688P [0,1,1,0,0,0|2,0,0]=4 192 B7R0.2 O=C(NC(C)C)CN M10428027P [0,1,1,0,0,0|2,0,0]=4 193 B7R0.2 O=C(OC(C)C)CCl M10003254P [0,1,1,0,0,0|1,0,0]=3 194 B7R0.2 OCC(OC(C)C)=O M10016659P [0,1,1,0,0,0|1,0,0]=3 195 B7R0.3 O=C(OC)CCCN M10119950P [0,1,1,0,0,0|2,0,0]=4 196 B7R0.3 O=C(OCC=C)CCl M10049025P [0,1,1,0,0,0|1,0,1]=4 197 B7R0.3 O=C(OCCC)CBr M10226573P [0,1,1,0,0,0|1,0,0]=3 198 B7R0.5 CC(Br)C(OCC)=O M10013455P [0,1,1,0,0,0|0,0,0]=2 199 B7R0.5 CC(C(CCC)=O)=O M10058081P [0,1,1,0,0,0|1,0,1]=4 200 B7R0.5 CC(C)C(OCCl)=O M10342363P [0,1,1,0,0,0|1,0,0]=3 201 B7R0.5 CC(S)C(OCC)=O M10162587P [0,1,1,0,0,0|0,0,0]=2 202 B7R0.5 C[C@@H](Cl)C(OCC)=O M10248724P [0,1,1,0,0,0|0,0,0]=2 203 B7R0.5 C[C@@H](O)C(OCC)=O M10109851P [0,1,1,0,0,0|0,0,0]=2 204 B7R0.5 O=C(O)C(OCC)=O M10016281P [0,1,1,0,0,0|1,0,1]=4 205 B7R0.5 O=C(OCC)C(N)=O M10016280P [0,1,1,0,0,0|1,0,1]=4 206 B7R0.5 O=C(OCC)N(Cl)Cl M10125853P [0,1,1,0,0,0|2,0,0]=4 207 B7R0.7 C=C(OCC)OCC M10046654P [0,1,1,0,0,0|1,0,0]=3 208 B7R0.7 CCCC(OCCl)=O M10221194P [0,1,1,0,0,0|1,0,0]=3 209 B7R0.7 C\C=C\C(OCC)=O M10116065P [0,1,1,0,0,0|0,0,1]=3 210 B7R0.7 O=C(CCCl)CCCl M10055903P [0,1,1,0,0,0|2,0,0]=4 211 B7R0.7 O=C(OCC)C=[N+]=[N-] M10016667P [0,1,1,0,0,0|1,0,1]=4 212 B7R0.7 O=C(OCC)CCS M10076471P [0,1,1,0,0,0|0,0,0]=2 213 B7R0.7 O=C(OCC)CNN M10098052P [0,1,1,0,0,0|1,0,0]=3 214 B7R0.7 O=C(OCC)\C=C\I M10215517P [0,1,1,0,0,0|0,0,2]=4 215 B7R0.7 O=C(OCCl)OCC M10226366P [0,1,1,0,0,0|1,0,0]=3 216 B7R0.7 O=S(OCC)OCC M10016673P [0,1,1,0,0,0|1,0,0]=3 217 B7R0.10 CCC(C)C(C)C=O M10218111P [0,1,1,0,0,0|1,0,0]=3 218 B7R0.9 C=C(C)CC(C)(C)C M10003431P [0,1,1,0,0,0|2,0,0]=4 219 B7R0.9 CC(C)(N)CC(O)=O M10016757P [0,1,1,0,0,0|2,0,0]=4 220 B7R0.9 CC(C)(N)CC(O)=O M10897138P [0,1,1,0,0,0|2,0,0]=4 221 B7R0.9 CC(C)(O)CC(O)=O M10016759P [0,1,1,0,0,0|2,0,0]=4 222 B7R0.9 CC(C)(O)CC([O-])=O M12004457P [0,1,1,0,0,0|2,0,0]=4 223 B7R0.9 CC(C)=CC(C)(C)C M10003432P [0,1,1,0,0,0|2,0,0]=4 224 B7R0.9 CC(CC(C)(S)C)=O M10163133P [0,1,1,0,0,0|1,0,0]=3 225 B7R0.16 CC(C)C(C(O)=O)=O M10019964P [0,1,1,0,0,0|2,0,0]=4 226 B7R0.16 CC(C)C(C([O-])=O)=O M10057013P [0,1,1,0,0,0|2,0,0]=4 227 B7R0.16 CC(C)C(C([O-])=O)=O M10262012P [0,1,1,0,0,0|2,0,0]=4 228 B7R0.16 CC(C)[C@@H](N)C(N)=O M10736332P [0,1,1,0,0,0|2,0,0]=4 229 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [0,1,1,0,0,0|2,0,0]=4 230 B7R0.4 CC(CCCCBr)=O M10113189P [0,1,1,0,0,0|1,0,0]=3 231 B7R0.4 CC(O)CNCCN M10004602P [0,1,1,0,0,0|1,0,1]=4 232 B7R0.4 CC(O)COCC#C M10058995P [0,1,1,0,0,0|1,0,1]=4 233 B7R0.4 CC(OCCOC)=O M10003718P [0,1,1,0,0,0|2,0,0]=4 234 B7R0.4 CCCCCB(O)O M10065828P [0,1,1,0,0,0|1,0,1]=4 235 B7R0.4 CCCCCC(Cl)=O M10005436P [0,1,1,0,0,0|1,0,0]=3 236 B7R0.4 O=C(Cl)OCCCCl M10016962P [0,1,1,0,0,0|2,0,0]=4 237 B7R0.4 O=C(N)COCCCl M10232141P [0,1,1,0,0,0|2,0,0]=4 238 B7R0.4 O=C(N)NCCCC M10195780P [0,1,1,0,0,0|1,0,0]=3 239 B7R0.4 O=C(N)NCCCC M10200467P [0,1,1,0,0,0|1,0,0]=3 240 B7R0.4 O=C(O)CCCC#N M10239045P [0,1,1,0,0,0|0,0,1]=3 241 B7R0.4 O=C(O)CCCCO M10123275P [0,1,1,0,0,0|0,0,0]=2 242 B7R0.4 O=C(O)CCOCC M10062024P [0,1,1,0,0,0|0,0,0]=2 243 B7R0.4 O=C(O)CNCCN M10183221P [0,1,1,0,0,0|1,0,0]=3 244 B7R0.4 O=C(O)COCCC M10276951P [0,1,1,0,0,0|0,0,0]=2 245 B7R0.4 O=C([O-])CCCCO M10233260P [0,1,1,0,0,0|0,0,1]=3 246 B7R0.6 CC(C)CCB(O)O M10634235P [0,1,1,0,0,0|1,0,1]=4 247 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [0,1,1,0,0,0|0,0,2]=4 248 B7R0.6 CC(CCC([O-])=O)=O M10183682P [0,1,1,0,0,0|0,0,2]=4 249 B7R0.6 C[S+](CCC(O)=O)C M10062116P [0,1,1,0,0,0|1,0,0]=3 250 B7R0.6 O=C(C)CCC([O-])=O M10015062P [0,1,1,0,0,0|0,0,2]=4 251 B7R0.6 O=C(Cl)OCC(C)C M10013714P [0,1,1,0,0,0|2,0,0]=4 252 B7R0.6 O=C(O)CCN(C)C M10133339P [0,1,1,0,0,0|1,0,0]=3 253 B7R0.8 O[Sn](Cl)(CCCC)O M10122972P [0,1,1,0,0,0|1,0,1]=4 254 B7R1.1 BrCC1CCCC1 M10057867P [1,1,0,0,0,0|1,0,1]=4 255 B7R1.1 CCC1=NCCO1 M10115051P [1,1,0,0,0,0|2,0,0]=4 256 B7R1.1 COC1CCCC1 M10078199P [1,1,0,0,0,0|1,0,1]=4 257 B7R1.1 COC1CNCC1 M10742008P [1,1,0,0,0,0|2,0,0]=4 258 B7R1.1 ClCC1OCCO1 M10045516P [1,1,0,0,0,0|1,0,1]=4 259 B7R1.1 NCC1CCCC1 M10302882P [1,1,0,0,0,0|1,0,1]=4 260 B7R1.1 NCC1COCC1 M10794275P [1,1,0,0,0,0|2,0,0]=4 261 B7R1.1 NCC1COCC1 M10812914P [1,1,0,0,0,0|2,0,0]=4 262 B7R1.1 NCC1OCCC1 M10066380P [1,1,0,0,0,0|0,0,1]=3 263 B7R1.1 NC[C@@H]1OCCC1 M10102346P [1,1,0,0,0,0|0,0,1]=3 264 B7R1.1 NC[C@H]1OCCC1 M10102169P [1,1,0,0,0,0|0,0,1]=3 265 B7R1.1 O=CC1OCCC1 M10109701P [1,1,0,0,0,0|0,0,1]=3 266 B7R1.1 OCC1COCC1 M10138830P [1,1,0,0,0,0|2,0,0]=4 267 B7R1.1 OCC1OCCO1 M10079280P [1,1,0,0,0,0|1,0,1]=4 268 B7R1.1 OC[C@@H]1CNCC1 M10673087P [1,1,0,0,0,0|2,0,0]=4 269 B7R1.1 OC[C@H]1CNCC1 M10673086P [1,1,0,0,0,0|2,0,0]=4 270 B7R1.4 C=C1CCOC1=O M10013811P [1,1,0,0,0,0|0,0,1]=3 271 B7R1.4 CC1=CCCC1=O M10027183P [1,1,0,0,0,0|1,0,1]=4 272 B7R1.4 O=C1C(Br)CCC1 M10172483P [1,1,0,0,0,0|1,0,0]=3 273 B7R1.4 O=C1C(C)CCC1 M10027182P [1,1,0,0,0,0|1,0,0]=3 274 B7R1.4 O=C1C(Cl)CCC1 M10018599P [1,1,0,0,0,0|1,0,0]=3 275 B7R1.4 O=C1NCCC1O M10135336P [1,1,0,0,0,0|1,0,0]=3 276 B7R1.4 O=C1NCC[C@@H]1N M10060287P [1,1,0,0,0,0|1,0,0]=3 277 B7R1.4 O=C1NCC[C@@H]1N M10288485P [1,1,0,0,0,0|1,0,0]=3 278 B7R1.4 O=C1NCC[C@H]1O M10468150P [1,1,0,0,0,0|1,0,0]=3 279 B7R1.14 CC1(C)NCCC1 M10225767P [1,1,0,0,0,0|1,0,1]=4 280 B7R1.14 O=P1(Cl)OCCO1 M10093657P [1,1,0,0,0,0|2,0,0]=4 281 B7R1.10 N#CC1CC(C1)=O M10164982P [0,1,0,0,1,0|1,0,1]=4 282 B7R1.10 O=C1CC(CO)C1 M10810765P [0,1,0,0,1,0|1,0,0]=3 283 B9R1.1 N#CC1CCC(CC1)=O M10225432P [0,1,0,0,0,1|1,0,1]=4 284 B9R1.1 O=C1CCC(OC)CC1 M10124180P [0,1,0,0,0,1|1,0,0]=3 285 B9R1.1 O=C1NCC(CO)CC1 M10769348P [0,1,0,0,0,1|1,0,0]=3 286 B9R1.10 O=C1C=CC(C)(C)CC1 M10026199P [0,1,0,0,0,1|1,0,0]=3 287 B9R1.69 O=C1C(N)CCC(N1)=O M10042789P [0,1,0,0,0,1|2,0,0]=4 288 B9R1.69 O=C1C(N)CCC(N1)=O M11187066P [0,1,0,0,0,1|2,0,0]=4 289 B9R1.34 O=C1CC(C)NC(C)C1 M11091903P [0,1,0,0,0,1|1,0,0]=3 290 B9R1.34 O=C1CC(CC(C)C1)=O M10062153P [0,1,0,0,0,1|1,0,0]=3 291 B9R1.66 O=C1CC(C)(C)OCC1 M10028787P [0,1,0,0,0,1|1,0,0]=3 292 B9R1.66 O=C1CC(C)(O)CCO1 M12271779P [0,1,0,0,0,1|1,0,0]=3 293 B9R1.21 OCC1OC(CO)CC1 M10003191P [0,2,0,0,0,0|0,0,2]=4 294 B9R1.35 O=C(C1CC(CC1)=O)O M10002671P [0,2,0,0,0,0|1,0,1]=4 295 B9R1.35 O=C([C@@H]1CCC(O1)=O)O M10170449P [0,2,0,0,0,0|0,0,1]=3 296 B9R1.35 O=C([C@H]1CCC(O1)=O)O M10271394P [0,2,0,0,0,0|0,0,1]=3 297 B9R1.35 O=C1OC[C@H](C(C)C)N1 M10146629P [0,2,0,0,0,0|2,0,0]=4 298 B9R1.133 O=CC1OC(C)(C)OC1 M10079815P [0,2,0,0,0,0|1,0,1]=4 299 B9R1.37 O=C1C(C(C)C(C)C1)=O M10124286P [0,2,0,0,0,0|1,0,0]=3 300 B9R1.37 O=C1C(C(C)CC1C)=O M10124287P [0,2,0,0,0,0|1,0,0]=3 301 B9R1.38 O=C1NC(C(O1)(C)C)=O M10018657P [0,2,0,0,0,0|1,0,1]=4 302 B9R1.138 O=C1OCC(C)(C)[C@@H]1O M10072911P [0,2,0,0,0,0|2,0,0]=4 303 B7R1.3 ClC1=CCCCC1 M10208207P [0,0,1,1,0,0|2,0,0]=4 304 B7R1.3 ClC1CCCCO1 M10051478P [0,0,1,1,0,0|1,0,1]=4 305 B7R1.3 O=C1CCNCC1 M10246538P [0,0,1,1,0,0|2,0,0]=4 306 B7R1.3 O=C1CCNCC1 M10247465P [0,0,1,1,0,0|2,0,0]=4 307 B7R1.3 O=C1CCNCC1 M10857977P [0,0,1,1,0,0|2,0,0]=4 308 B7R1.3 O=C1CCOCC1 M10179636P [0,0,1,1,0,0|2,0,0]=4 309 B7R1.3 O=C1CNCCC1 M10342345P [0,0,1,1,0,0|2,0,0]=4 310 B7R1.3 O=C1NCCCN1 M10037131P [0,0,1,1,0,0|2,0,0]=4 311 B7R1.3 O=C1OCCOC1 M10050467P [0,0,1,1,0,0|1,0,0]=3 312 B7R1.3 O=S1CCCCC1 M10067807P [0,0,1,1,0,0|2,0,0]=4 313 B7R1.7 CCCCC1OC1 M10030748P [0,0,1,1,0,0|1,0,1]=4 314 B7R1.18 N=C(C1CCC1)N M10444128P [0,0,1,1,0,0|2,0,0]=4 315 B7R1.18 O=C(C1NCC1)O M10164146P [0,0,1,1,0,0|1,0,0]=3 316 B7R1.18 O=C(C1OCC1)O M10006194P [0,0,1,1,0,0|1,0,0]=3 317 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [0,0,1,1,0,0|1,0,0]=3 318 B7R1.18 O=C([C@H]1NCC1)O M10875068P [0,0,1,1,0,0|1,0,0]=3 319 B7R1.18 OB(C1CCC1)O M10997879P [0,0,1,1,0,0|1,0,1]=4 320 B9R2.25 O=C1OC(C2CC12)=O M10078252P [0,0,0,1,0,1|1,0,1]=4 321 B5R0.5 CC(C(C)=C)=O M10021132P [0,0,1,0,1,0|0,0,2]=4 322 B5R0.5 CC(C)C([O-])=O M10209916P [0,0,1,0,1,0|1,0,0]=3 323 B5R0.5 CC(F)C(O)=O M10083620P [0,0,1,0,1,0|2,0,0]=4 324 B5R0.5 CC(S)C(C)C M10039796P [0,0,1,0,1,0|0,1,1]=4 325 B5R0.5 C[C@@H](Cl)C(Cl)=O M12278061P [0,0,1,0,1,0|2,0,0]=4 326 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [0,0,1,0,1,0|2,0,0]=4 327 B5R0.5 C[C@@H](O)C(O)=O M10114112P [0,0,1,0,1,0|2,0,0]=4 328 B5R0.5 C[C@H](Br)C(O)=O M10217830P [0,0,1,0,1,0|2,0,0]=4 329 B5R0.5 OC(C)C([O-])=O M10140216P [0,0,1,0,1,0|2,0,0]=4 330 B5R0.5 OC(C)C([O-])=O M10189588P [0,0,1,0,1,0|2,0,0]=4 331 B5R0.5 [O-]C(C)C([O-])=O M10249277P [0,0,1,0,1,0|2,0,0]=4 332 B5R1.2 ClC1CCC1 M10027170P [1,0,0,0,1,0|1,0,1]=4 333 B5R1.2 O=C1CNC1 M10150179P [1,0,0,0,1,0|1,0,0]=3 334 B5R1.2 O=C1CSC1 M10173528P [1,0,0,0,1,0|1,0,0]=3 335 B5R1.2 O=C1NCC1 M10023349P [1,0,0,0,1,0|1,0,0]=3