0 B5R0.1 C=C(C)C[Mg]Cl M10078985P [0,0,0,0,0,0|4,0,0]=4 1 B5R0.1 C=C(OCC)C M10023218P [0,0,0,0,0,0|1,1,0]=2 2 B5R0.1 CC(C)=CCCl M10012522P [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 CC(C)CCI M10013642P [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC(CC#N)=O M10044340P [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(CCCl)=O M10089400P [0,0,0,0,0,0|2,0,0]=2 6 B5R0.1 CC(COC)=O M10081509P [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CC(N)CCC M10393249P [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CC(N)CCO M10048445P [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CC(OC=O)=O M10041862P [0,0,0,0,0,0|1,1,1]=3 10 B5R0.1 CC(OCC)=N M10041195P [0,0,0,0,0,0|1,1,0]=2 11 B5R0.1 CSCS(C)=O M10220911P [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 C[C@@H](N)CCO M10335804P [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 C[C@@H](O)COC M10067779P [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 C[C@H](N)CCO M10335803P [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 C[C@H](O)COC M10194416P [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 C[SiH](OCC)C M10133661P [0,0,0,0,0,0|1,2,0]=3 17 B5R0.1 C\C=C\C(Cl)=O M10016774P [0,0,0,0,0,0|2,0,1]=3 18 B5R0.1 C\C=C\C(Cl)=O M10115520P [0,0,0,0,0,0|2,0,1]=3 19 B5R0.1 ClCOC(C)=O M10016791P [0,0,0,0,0,0|1,1,0]=2 20 B5R0.1 NC(OCC)=N M10213773P [0,0,0,0,0,0|2,1,0]=3 21 B5R0.1 NCCN(C)C M10003486P [0,0,0,0,0,0|4,0,0]=4 22 B5R0.1 O=C(Cl)OCCl M10173503P [0,0,0,0,0,0|2,1,0]=3 23 B5R0.1 O=C(O)CCF M10011311P [0,0,0,0,0,0|3,0,0]=3 24 B5R0.1 O=C(O)CCO M10012525P [0,0,0,0,0,0|3,0,0]=3 25 B5R0.1 O=C([O-])CNC M10061947P [0,0,0,0,0,0|3,0,0]=3 26 B5R0.1 O=[N+](CCO)[O-] M10016784P [0,0,0,0,0,0|4,0,0]=4 27 B4R0.1 C#CC(N)=O M10104034P [1,0,0,0,0,0|1,0,2]=4 28 B4R0.1 C=C(Br)CBr M10012799P [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C=C(Br)CO M10015330P [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C=C(C)C=O M10001153P [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 C=C(C)CBr M10031081P [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 C=CC([O-])=O M10105582P [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 C=CC([O-])=O M10132485P [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 CC(Br)CCl M10050225P [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 CC(C)=CBr M10050220P [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 CC(C)CI M10012803P [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CC(CCl)=O M10001162P [1,0,0,0,0,0|1,0,0]=2 38 B4R0.1 CC(CN)=O M10110205P [1,0,0,0,0,0|1,0,0]=2 39 B4R0.1 CC(O)CCl M10004741P [1,0,0,0,0,0|1,0,2]=4 40 B4R0.1 CC(SC)=O M10032388P [1,0,0,0,0,0|0,0,0]=1 41 B4R0.1 CCC(N)=S M10017126P [1,0,0,0,0,0|1,1,0]=3 42 B4R0.1 CCC([O-])=O M10205103P [1,0,0,0,0,0|1,0,0]=2 43 B4R0.1 CCN(C)C M10015350P [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CNC(C)C M10065934P [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 C[C@@H](N)CC M10122112P [1,0,0,0,0,0|1,0,1]=3 46 B4R0.1 C[C@@H](N)CN M10162469P [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 C[C@@H](O)CC M10133832P [1,0,0,0,0,0|0,0,2]=3 48 B4R0.1 C[SiH](OC)C M10152986P [1,0,0,0,0,0|1,2,0]=4 49 B4R0.1 C\C(Br)=C\C M12004205P [1,0,0,0,0,0|1,0,1]=3 50 B4R0.1 C\C(N)=N\O M10173143P [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 N=C(N)CN M10436074P [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 NC(NC)=N M10171679P [1,0,0,0,0,0|3,0,0]=4 53 B4R0.1 NC(NC)=N M10176185P [1,0,0,0,0,0|3,0,0]=4 54 B4R0.1 NC(SC)=N M10131709P [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 NCC([O-])=O M10102492P [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 NCC([O-])=O M10164487P [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 NCC([O-])=O M10229094P [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 NNC(N)=O M10000401P [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 O=C(C)C=C M10001161P [1,0,0,0,0,0|0,0,2]=3 60 B4R0.1 O=C(Cl)CBr M10173456P [1,0,0,0,0,0|2,0,0]=3 61 B4R0.1 O=C(Cl)CF M10009145P [1,0,0,0,0,0|2,0,0]=3 62 B4R0.1 O=C(N)CF M10017415P [1,0,0,0,0,0|2,0,0]=3 63 B4R0.1 O=C(N)CN M10015343P [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 O=C([O-])CN M10133319P [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 O=C([O-])CO M10048155P [1,0,0,0,0,0|2,0,0]=3 66 B4R0.1 O=S(CO)[O-] M10005623P [1,0,0,0,0,0|3,0,0]=4 67 B4R0.1 O=S(CO)[O-] M10083044P [1,0,0,0,0,0|3,0,0]=4 68 B4R0.1 O=[N+](CBr)[O-] M10014222P [1,0,0,0,0,0|3,0,0]=4 69 B4R0.1 OC(C)C[O-] M12031334P [1,0,0,0,0,0|1,0,2]=4 70 B4R0.1 S=C(N)NC M10015347P [1,0,0,0,0,0|2,1,0]=4 71 B4R0.1 SCC([O-])=O M10194150P [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 SCC([O-])=O M12278138P [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 [Li]C(C)CC M10015338P [1,0,0,0,0,0|1,0,1]=3 74 B4R0.1 [NH-]CC(O)=O M12278746P [1,0,0,0,0,0|2,0,0]=3 75 B4R0.2 C(NCC)=O M10016925P [1,0,0,0,0,0|1,0,0]=2 76 B4R0.2 C=CCCCl M10023256P [1,0,0,0,0,0|2,0,1]=4 77 B4R0.2 C=CCCN M10044983P [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 C=CCOC M10016921P [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 CCCCN M10058158P [1,0,0,0,0,0|2,0,1]=4 80 B4R0.2 CCCC[O-] M10026120P [1,0,0,0,0,0|1,0,2]=4 81 B4R0.2 CCC[Mg]Cl M10041602P [1,0,0,0,0,0|3,0,0]=4 82 B4R0.2 CCOCCl M10052059P [1,0,0,0,0,0|1,1,1]=4 83 B4R0.2 CC[Zn]CC M10014098P [1,0,0,0,0,0|1,0,1]=3 84 B4R0.2 CSCCO M10070197P [1,0,0,0,0,0|3,0,0]=4 85 B4R0.2 CSCSC M10033691P [1,0,0,0,0,0|3,0,0]=4 86 B4R0.2 C\C=C\C=O M10004592P [1,0,0,0,0,0|1,0,1]=3 87 B4R0.2 C\C=C\CCl M10015079P [1,0,0,0,0,0|2,0,0]=3 88 B4R0.2 C\C=C\OC M10103777P [1,0,0,0,0,0|2,0,0]=3 89 B4R0.2 ClCCNC M10064229P [1,0,0,0,0,0|3,0,0]=4 90 B4R0.2 NCCOC M10003657P [1,0,0,0,0,0|3,0,0]=4 91 B6R0.1 C=CC(NCC)=O M10081542P [0,1,0,0,0,0|1,0,1]=3 92 B6R0.1 C=CC(OCC)=O M10186126P [0,1,0,0,0,0|0,1,1]=3 93 B6R0.1 CC#CC(OC)=O M10179372P [0,1,0,0,0,0|1,0,1]=3 94 B6R0.1 CCCC(C)C=O M10004549P [0,1,0,0,0,0|1,0,1]=3 95 B6R0.1 CCCC(NN)=O M10055378P [0,1,0,0,0,0|2,0,0]=3 96 B6R0.1 CCC[C@H](N)CO M10176483P [0,1,0,0,0,0|2,0,1]=4 97 B6R0.1 C\C=C\C(OC)=O M10156893P [0,1,0,0,0,0|1,0,1]=3 98 B6R0.1 O=C(C#N)OCC M10016649P [0,1,0,0,0,0|0,1,1]=3 99 B6R0.1 O=C(OC)CCN M10060379P [0,1,0,0,0,0|2,0,0]=3 100 B6R0.1 O=C(OC)C[N+]#[C-] M10240268P [0,1,0,0,0,0|2,0,1]=4 101 B6R0.1 O=C(OC=C)CCl M10186320P [0,1,0,0,0,0|0,1,2]=4 102 B6R0.1 O=C(OCC)CBr M10003242P [0,1,0,0,0,0|0,1,0]=2 103 B6R0.1 O=C(OCC)CN M10011247P [0,1,0,0,0,0|0,1,0]=2 104 B6R0.2 CC(CC(C)=O)=O M10123299P [0,1,0,0,0,0|1,0,1]=3 105 B6R0.2 CC(N)CC(C)C M10444558P [0,1,0,0,0,0|2,0,1]=4 106 B6R0.2 CC(N)CC(O)=O M10187780P [0,1,0,0,0,0|2,0,0]=3 107 B6R0.2 CC(NC(C)C)C M10017887P [0,1,0,0,0,0|2,0,1]=4 108 B6R0.2 CC(NC(N)=N)=O M10079352P [0,1,0,0,0,0|2,0,1]=4 109 B6R0.2 CC(O)CC([O-])=O M10005658P [0,1,0,0,0,0|2,0,0]=3 110 B6R0.2 CC(OC(Br)C)=O M10242154P [0,1,0,0,0,0|0,1,0]=2 111 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [0,1,0,0,0,0|2,0,0]=3 112 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [0,1,0,0,0,0|2,0,0]=3 113 B6R0.2 C[C@H](N)CC(O)=O M10057573P [0,1,0,0,0,0|2,0,0]=3 114 B6R0.2 C[C@H](N)CC(O)=O M10302309P [0,1,0,0,0,0|2,0,0]=3 115 B6R0.2 C[C@H](O)CC(O)=O M10084600P [0,1,0,0,0,0|2,0,0]=3 116 B6R0.2 C[S+](CC([O-])=O)C M10065707P [0,1,0,0,0,0|3,0,0]=4 117 B6R0.2 NC(C)CC(C)C M10003493P [0,1,0,0,0,0|2,0,1]=4 118 B6R0.2 O=C(Cl)C=C(C)C M10053608P [0,1,0,0,0,0|2,0,1]=4 119 B6R0.2 O=C([O-])CN(C)C M10154757P [0,1,0,0,0,0|3,0,0]=4 120 B6R0.3 C=C(CBr)C(O)=O M10448395P [0,1,0,0,0,0|3,0,0]=4 121 B6R0.3 CC(C(CBr)=O)=O M10070633P [0,1,0,0,0,0|2,0,0]=3 122 B6R0.3 CC(C(NC)=O)=C M10058367P [0,1,0,0,0,0|3,0,0]=4 123 B6R0.3 CC(C(S)CC)=O M10426560P [0,1,0,0,0,0|1,0,0]=2 124 B6R0.3 CC(N(C)C=C)=O M10052111P [0,1,0,0,0,0|1,0,2]=4 125 B6R0.3 CC(NC)C(O)=O M10015418P [0,1,0,0,0,0|3,0,0]=4 126 B6R0.3 CC(OC)C(O)=O M10062023P [0,1,0,0,0,0|3,0,0]=4 127 B6R0.3 CCC(Br)C(Br)=O M10192304P [0,1,0,0,0,0|2,0,0]=3 128 B6R0.3 CCC(C(O)=O)=C M10055842P [0,1,0,0,0,0|2,0,0]=3 129 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [0,1,0,0,0,0|3,0,0]=4 130 B6R0.3 C\C(C(O)=O)=C\C M10014266P [0,1,0,0,0,0|2,0,1]=4 131 B6R0.3 N[C@@H](CS)C(O)=O M10201100P [0,1,0,0,0,0|3,0,0]=4 132 B6R0.3 N[C@H](CS)C(O)=O M10832565P [0,1,0,0,0,0|3,0,0]=4 133 B6R0.3 O=C(Cl)C(Br)CBr M10157298P [0,1,0,0,0,0|3,0,0]=4 134 B6R0.3 O=C(O)C(N)CS M10631134P [0,1,0,0,0,0|3,0,0]=4 135 B6R0.3 O=C(O)C(O)CCl M10035208P [0,1,0,0,0,0|3,0,0]=4 136 B6R0.3 O=C(O)[C@@H](N)CCl M10187309P [0,1,0,0,0,0|3,0,0]=4 137 B6R0.4 C#CCCC(O)=O M10083651P [0,1,0,0,0,0|2,0,1]=4 138 B6R0.4 C=CCCC(Cl)=O M10240332P [0,1,0,0,0,0|2,0,1]=4 139 B6R0.4 CC(C)CCCBr M10016880P [0,1,0,0,0,0|2,0,1]=4 140 B6R0.4 CC(C)CCCO M10016881P [0,1,0,0,0,0|2,0,1]=4 141 B6R0.4 CC(CCC=C)=O M10003621P [0,1,0,0,0,0|1,0,1]=3 142 B6R0.4 CC(CCCBr)=O M10058337P [0,1,0,0,0,0|1,0,0]=2 143 B6R0.4 CC(NCCCl)C M10088269P [0,1,0,0,0,0|2,0,1]=4 144 B6R0.4 CC(NCCO)=O M10005418P [0,1,0,0,0,0|1,0,0]=2 145 B6R0.4 CC(O)CCCO M10016886P [0,1,0,0,0,0|1,0,2]=4 146 B6R0.4 CC(OCCBr)C M10275026P [0,1,0,0,0,0|1,1,1]=4 147 B6R0.4 CC(OCCO)=O M10013697P [0,1,0,0,0,0|0,1,0]=2 148 B6R0.4 CC\C=C\C(O)=O M10016889P [0,1,0,0,0,0|2,0,0]=3 149 B6R0.4 CC\C=C\C([O-])=O M12008293P [0,1,0,0,0,0|2,0,0]=3 150 B6R0.4 CN(C)CCCBr M10273573P [0,1,0,0,0,0|3,0,0]=4 151 B6R0.4 CN(CCCCl)C M10003627P [0,1,0,0,0,0|3,0,0]=4 152 B6R0.4 CNCCN(C)C M10005417P [0,1,0,0,0,0|3,0,0]=4 153 B6R0.4 NC(SCCN)=N M10000332P [0,1,0,0,0,0|2,0,0]=3 154 B6R0.4 O=C(Cl)CCCBr M10023246P [0,1,0,0,0,0|2,0,0]=3 155 B6R0.4 O=C(Cl)OCCCl M10016902P [0,1,0,0,0,0|1,1,0]=3 156 B6R0.4 O=C(N)NCCO M10039744P [0,1,0,0,0,0|2,0,0]=3 157 B6R0.4 O=C(O)CCC#N M10140304P [0,1,0,0,0,0|2,0,1]=4 158 B6R0.4 O=C(O)CCCCl M10016891P [0,1,0,0,0,0|2,0,0]=3 159 B6R0.4 O=C(O)CCOC M10045190P [0,1,0,0,0,0|2,0,0]=3 160 B6R0.4 O=C(O)CCSC M10017612P [0,1,0,0,0,0|2,0,0]=3 161 B6R0.4 O=C(O)COCC M10016894P [0,1,0,0,0,0|1,1,0]=3 162 B6R0.4 O=C(O)\C=C\CBr M10127900P [0,1,0,0,0,0|2,0,1]=4 163 B6R0.4 O=C([O-])CNCO M10437440P [0,1,0,0,0,0|3,0,0]=4 164 B6R0.4 O=[Sn](CCCC)O M10042008P [0,1,0,0,0,0|3,0,0]=4 165 B6R0.4 S=C(N)NCCC M10023251P [0,1,0,0,0,0|2,1,0]=4 166 B6R0.5 CC(NCC)(C)C M10063201P [0,1,0,0,0,0|2,0,1]=4 167 B6R0.5 CCCP(Cl)(Cl)=O M10065545P [0,1,0,0,0,0|3,0,0]=4 168 B6R0.5 CCC[N+](C)(C)C M10034255P [0,1,0,0,0,0|3,0,0]=4 169 B6R1.2 CC1=CN=CS1 M10055792P [0,0,0,1,0,0|2,0,1]=4 170 B6R1.2 CC1=NCCO1 M10027175P [0,0,0,1,0,0|1,0,1]=3 171 B6R1.2 CC1=NCCS1 M10042677P [0,0,0,1,0,0|1,0,0]=2 172 B6R1.2 CC1SCCS1 M10078227P [0,0,0,1,0,0|0,1,1]=3 173 B6R1.2 C[C@H]1NCCC1 M10246674P [0,0,0,1,0,0|2,0,1]=4 174 B6R1.2 NC1=NCCC1 M10108538P [0,0,0,1,0,0|2,0,0]=3 175 B6R1.2 NC1=NCCS1 M11190924P [0,0,0,1,0,0|2,0,0]=3 176 B6R1.2 NN1CCCC1 M10143774P [0,0,0,1,0,0|3,0,0]=4 177 B6R1.2 O=C1CNCC1 M10002481P [0,0,0,1,0,0|2,0,0]=3 178 B6R1.2 O=C1CNCC1 M10057424P [0,0,0,1,0,0|2,0,0]=3 179 B6R1.2 O=C1NCNC1 M10035055P [0,0,0,1,0,0|2,0,0]=3 180 B6R1.2 O=C1NCNC1 M10140916P [0,0,0,1,0,0|2,0,0]=3 181 B6R1.2 O=C1OCCO1 M10002484P [0,0,0,1,0,0|1,1,0]=3 182 B6R1.2 O=C1SCCN1 M10046694P [0,0,0,1,0,0|1,0,0]=2 183 B6R1.2 O=S1OCCO1 M10057276P [0,0,0,1,0,0|2,1,0]=4 184 B6R1.5 NC1CC(C)C1 M10568222P [0,0,0,1,0,0|2,0,1]=4 185 B6R1.10 NC1(C)CCC1 M10803200P [0,0,0,1,0,0|2,0,1]=4 186 B3R0.1 C#CC=O M10016729P [2,0,0,0,0,0|0,0,2]=4 187 B3R0.1 C=CCBr M12278706P [2,0,0,0,0,0|1,0,1]=4 188 B3R0.1 C=CCI M10014069P [2,0,0,0,0,0|1,0,1]=4 189 B3R0.1 C=CCN M10003408P [2,0,0,0,0,0|1,0,1]=4 190 B3R0.1 C=COC M10003420P [2,0,0,0,0,0|0,1,1]=4 191 B3R0.1 CCC#N M10003409P [2,0,0,0,0,0|1,0,1]=4 192 B3R0.1 CCC#N M10053961P [2,0,0,0,0,0|1,0,1]=4 193 B3R0.1 CCCN M10194639P [2,0,0,0,0,0|1,0,1]=4 194 B3R0.1 CCC[O-] M10018423P [2,0,0,0,0,0|0,0,2]=4 195 B3R0.1 CCC[O-] M10050959P [2,0,0,0,0,0|0,0,2]=4 196 B3R0.1 CCC[O-] M10180358P [2,0,0,0,0,0|0,0,2]=4 197 B3R0.1 CC[Mg]Br M10023187P [2,0,0,0,0,0|2,0,0]=4 198 B3R0.1 COCBr M10120227P [2,0,0,0,0,0|1,1,0]=4 199 B3R0.1 COCCl M10003424P [2,0,0,0,0,0|1,1,0]=4 200 B3R0.1 CONC M10027051P [2,0,0,0,0,0|1,1,0]=4 201 B3R0.1 C[Se][Se]C M10100996P [2,0,0,0,0,0|1,1,0]=4 202 B3R0.1 Cl[Mg]CC M10043221P [2,0,0,0,0,0|2,0,0]=4 203 B3R0.1 NOCC M10053406P [2,0,0,0,0,0|1,1,0]=4 204 B3R0.1 OCC=O M12277445P [2,0,0,0,0,0|1,0,0]=3 205 B3R0.1 ONCC M10249174P [2,0,0,0,0,0|1,0,1]=4 206 B3R0.2 CC(I)C M10000881P [2,0,0,0,0,0|1,0,1]=4 207 B3R0.2 CC(O)=O M10103976P [2,0,0,0,0,0|0,1,0]=3 208 B3R0.2 CC([O-])=O M10013508P [2,0,0,0,0,0|0,1,0]=3 209 B3R0.2 CC([O-])=O M10022986P [2,0,0,0,0,0|0,1,0]=3 210 B3R0.2 CC([O-])=O M10033374P [2,0,0,0,0,0|0,1,0]=3 211 B3R0.2 CC([O-])=O M10051025P [2,0,0,0,0,0|0,1,0]=3 212 B3R0.2 CC([O-])=O M10054051P [2,0,0,0,0,0|0,1,0]=3 213 B3R0.2 CC([O-])=O M10083855P [2,0,0,0,0,0|0,1,0]=3 214 B3R0.2 CC([O-])=O M10108862P [2,0,0,0,0,0|0,1,0]=3 215 B3R0.2 CC([O-])=O M10248137P [2,0,0,0,0,0|0,1,0]=3 216 B3R0.2 CC([O-])=O M10446324P [2,0,0,0,0,0|0,1,0]=3 217 B3R0.2 CC([O-])=O M10641144P [2,0,0,0,0,0|0,1,0]=3 218 B3R0.2 CC([O-])=O M11189623P [2,0,0,0,0,0|0,1,0]=3 219 B3R0.2 CC([O-])=O M11194227P [2,0,0,0,0,0|0,1,0]=3 220 B3R0.2 C[Al](C)C M10000875P [2,0,0,0,0,0|2,0,0]=4 221 B3R0.2 C[S+](C)C M10188680P [2,0,0,0,0,0|2,0,0]=4 222 B3R0.2 C[SiH](Cl)C M10025935P [2,0,0,0,0,0|1,1,0]=4 223 B3R0.2 NC(N)=O M10111063P [2,0,0,0,0,0|2,0,0]=4 224 B3R0.2 O=[P+](C)C M10102480P [2,0,0,0,0,0|1,0,0]=3 225 B3R0.2 OC([O-])=O M10082436P [2,0,0,0,0,0|1,1,0]=4 226 B3R0.2 [Li]C(C)C M10037583P [2,0,0,0,0,0|1,0,1]=4 227 B3R0.2 [O-]C([O-])=O M10013429P [2,0,0,0,0,0|1,1,0]=4 228 B3R0.2 [O-]C([O-])=O M10014782P [2,0,0,0,0,0|1,1,0]=4 229 B3R0.2 [O-]C([O-])=O M10177017P [2,0,0,0,0,0|1,1,0]=4 230 B3R0.2 [O-]C([O-])=O M10295180P [2,0,0,0,0,0|1,1,0]=4 231 B5R0.3 C=C(CBr)CBr M10136455P [1,1,0,0,0,0|2,0,0]=4 232 B5R0.3 C=CC(NC)=O M10028554P [1,1,0,0,0,0|0,0,2]=4 233 B5R0.3 CCC(Br)CC M10036560P [1,1,0,0,0,0|1,0,1]=4 234 B5R0.3 CCC(C)CBr M10114990P [1,1,0,0,0,0|1,0,1]=4 235 B5R0.3 CCC(C)CS M10037434P [1,1,0,0,0,0|0,1,1]=4 236 B5R0.3 CCC(C=O)=C M10023101P [1,1,0,0,0,0|0,0,1]=3 237 B5R0.3 CCC(CBr)=O M10021171P [1,1,0,0,0,0|0,0,0]=2 238 B5R0.3 CCC(N)CC M10016218P [1,1,0,0,0,0|1,0,1]=4 239 B5R0.3 CCC(N)CO M10120213P [1,1,0,0,0,0|1,0,1]=4 240 B5R0.3 CCC(NC)=O M10028553P [1,1,0,0,0,0|0,0,0]=2 241 B5R0.3 CCC(NO)=N M10205861P [1,1,0,0,0,0|1,0,1]=4 242 B5R0.3 CCC([Mg]Br)C M10023104P [1,1,0,0,0,0|1,0,1]=4 243 B5R0.3 CCC([Mg]Cl)C M12278734P [1,1,0,0,0,0|1,0,1]=4 244 B5R0.3 CC[Al](Cl)CC M10002450P [1,1,0,0,0,0|2,0,0]=4 245 B5R0.3 O=C(CBr)CBr M10204064P [1,1,0,0,0,0|1,0,0]=3 246 B5R0.3 O=C(CO)CO M10002465P [1,1,0,0,0,0|1,0,0]=3 247 B5R0.3 O=C(OC)C=O M10023106P [1,1,0,0,0,0|0,1,1]=4 248 B5R0.3 O=C(OC)CBr M10002471P [1,1,0,0,0,0|0,1,0]=3 249 B5R0.3 O=C(OC)OC M10016226P [1,1,0,0,0,0|0,1,0]=3 250 B5R0.3 O=S(OC)OC M10016229P [1,1,0,0,0,0|1,1,0]=4 251 B5R0.3 OCC(CO)=C M10055135P [1,1,0,0,0,0|2,0,0]=4 252 B5R0.4 CC(C)(Cl)CC M10015192P [1,1,0,0,0,0|1,0,1]=4 253 B5R0.4 CC([O-])(C)CC M10245286P [1,1,0,0,0,0|0,0,2]=4 254 B5R0.4 CCS(=O)(O)=O M10015200P [1,1,0,0,0,0|2,0,0]=4 255 B5R0.4 CS(=O)(SC)=O M10188260P [1,1,0,0,0,0|1,0,0]=3 256 B5R0.5 CC(Br)C(Br)C M10073040P [1,1,0,0,0,0|1,0,1]=4 257 B5R0.5 CC(C(C)=C)=O M10021132P [1,1,0,0,0,0|0,0,1]=3 258 B5R0.5 CC(C([O-])=O)=C M10077430P [1,1,0,0,0,0|1,0,1]=4 259 B5R0.5 CC(C([O-])=O)=C M10097056P [1,1,0,0,0,0|1,0,1]=4 260 B5R0.5 CC(C)C([O-])=O M10209916P [1,1,0,0,0,0|1,0,0]=3 261 B5R0.5 CC(F)C(O)=O M10083620P [1,1,0,0,0,0|1,0,0]=3 262 B5R0.5 CC(S)C(C)C M10039796P [1,1,0,0,0,0|0,1,1]=4 263 B5R0.5 C[C@@H](Cl)C(Cl)=O M12278061P [1,1,0,0,0,0|1,0,0]=3 264 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [1,1,0,0,0,0|1,0,0]=3 265 B5R0.5 C[C@@H](O)C(O)=O M10114112P [1,1,0,0,0,0|1,0,0]=3 266 B5R0.5 C[C@@H](O)[C@@H](S)C M10234757P [1,1,0,0,0,0|0,0,2]=4 267 B5R0.5 C[C@@H](O)[C@H](O)C M10184381P [1,1,0,0,0,0|0,0,2]=4 268 B5R0.5 C[C@H](Br)C(O)=O M10217830P [1,1,0,0,0,0|1,0,0]=3 269 B5R0.5 C[C@H](O)[C@@H](O)C M10159152P [1,1,0,0,0,0|0,0,2]=4 270 B5R0.5 O=C(C)C([O-])=O M10204094P [1,1,0,0,0,0|1,0,1]=4 271 B5R0.5 O=C(O)C(Br)Cl M10077985P [1,1,0,0,0,0|2,0,0]=4 272 B5R0.5 O=C([O-])C(Cl)Cl M10040578P [1,1,0,0,0,0|2,0,0]=4 273 B5R0.5 OC(C)C([O-])=O M10140216P [1,1,0,0,0,0|1,0,0]=3 274 B5R0.5 OC(C)C([O-])=O M10189588P [1,1,0,0,0,0|1,0,0]=3 275 B5R0.5 [O-]C(C)C([O-])=O M10249277P [1,1,0,0,0,0|1,0,0]=3 276 B5R0.2 BrC\C=C\CBr M10099734P [1,1,0,0,0,0|2,0,0]=4 277 B5R0.2 C=CCCCCl M10023281P [1,1,0,0,0,0|1,0,1]=4 278 B5R0.2 C=CCOCC M10014106P [1,1,0,0,0,0|0,1,1]=4 279 B5R0.2 C=COCCO M10020115P [1,1,0,0,0,0|0,1,1]=4 280 B5R0.2 CCC#CCBr M10142580P [1,1,0,0,0,0|1,0,1]=4 281 B5R0.2 CCC#CCO M10085562P [1,1,0,0,0,0|1,0,1]=4 282 B5R0.2 CCCN=C=O M10003745P [1,1,0,0,0,0|1,0,1]=4 283 B5R0.2 CCCOC=C M10020114P [1,1,0,0,0,0|0,1,1]=4 284 B5R0.2 CCOCCCl M10016975P [1,1,0,0,0,0|0,1,1]=4 285 B5R0.2 CCSCCCl M10018543P [1,1,0,0,0,0|0,0,1]=3 286 B5R0.2 CCSCCO M10003744P [1,1,0,0,0,0|0,0,1]=3 287 B5R0.2 CC[Se][Se]CC M10016980P [1,1,0,0,0,0|0,1,1]=4 288 B5R0.2 COCCOC M10003738P [1,1,0,0,0,0|2,0,0]=4 289 B5R0.2 C\C=C\OCC M10023285P [1,1,0,0,0,0|0,1,0]=3 290 B5R0.2 OC\C=C\CCl M10033040P [1,1,0,0,0,0|2,0,0]=4 291 B7R0.2 CC(N)CC(OC)=O M10083532P [0,2,0,0,0,0|1,0,0]=3 292 B7R0.2 CC(O)CC(OC)=O M10031579P [0,2,0,0,0,0|1,0,0]=3 293 B7R0.2 C[C@@H](N)CC(OC)=O M10650212P [0,2,0,0,0,0|1,0,0]=3 294 B7R0.2 O=C(Cl)OC(C)CC M10149751P [0,2,0,0,0,0|1,1,0]=4 295 B7R0.2 O=C(NC(C)C)CBr M10460688P [0,2,0,0,0,0|1,0,0]=3 296 B7R0.2 O=C(NC(C)C)CN M10428027P [0,2,0,0,0,0|1,0,0]=3 297 B7R0.2 O=C(O)CC(O)CN M10190010P [0,2,0,0,0,0|2,0,0]=4 298 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [0,2,0,0,0,0|2,0,0]=4 299 B7R0.2 O=C(OC(C)C)CCl M10003254P [0,2,0,0,0,0|0,1,0]=3 300 B7R0.2 OCC(OC(C)C)=O M10016659P [0,2,0,0,0,0|0,1,0]=3 301 B7R0.3 C=CC(NCCC)=O M10192147P [0,2,0,0,0,0|1,0,1]=4 302 B7R0.3 O=C(OC)CCC=O M10126962P [0,2,0,0,0,0|1,0,1]=4 303 B7R0.3 O=C(OC)CCCN M10119950P [0,2,0,0,0,0|1,0,0]=3 304 B7R0.3 O=C(OC)\C=C\OC M10080442P [0,2,0,0,0,0|1,0,1]=4 305 B7R0.3 O=C(OCC=C)CCl M10049025P [0,2,0,0,0,0|0,1,1]=4 306 B7R0.3 O=C(OCCC)CBr M10226573P [0,2,0,0,0,0|0,1,0]=3 307 B7R0.5 CC(Br)C(OCC)=O M10013455P [0,2,0,0,0,0|0,1,0]=3 308 B7R0.5 CC(C(CCC)=O)=O M10058081P [0,2,0,0,0,0|1,0,0]=3 309 B7R0.5 CC(C)C(OCCl)=O M10342363P [0,2,0,0,0,0|1,1,0]=4 310 B7R0.5 CC(S)C(OCC)=O M10162587P [0,2,0,0,0,0|0,1,0]=3 311 B7R0.5 CCCC(Br)C(O)=O M10014810P [0,2,0,0,0,0|2,0,0]=4 312 B7R0.5 CCCC(C)C(O)=O M10209692P [0,2,0,0,0,0|1,0,1]=4 313 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [0,2,0,0,0,0|1,0,0]=3 314 B7R0.5 C[C@@H](Cl)C(OCC)=O M10248724P [0,2,0,0,0,0|0,1,0]=3 315 B7R0.5 C[C@@H](O)C(OCC)=O M10109851P [0,2,0,0,0,0|0,1,0]=3 316 B7R0.5 O=C(O)C(Cl)COC M10045189P [0,2,0,0,0,0|2,0,0]=4 317 B7R0.5 O=C(O)C(F)CCN M10193859P [0,2,0,0,0,0|2,0,0]=4 318 B7R0.5 O=C(O)C(N)CCN M10024859P [0,2,0,0,0,0|2,0,0]=4 319 B7R0.5 O=C(O)C(OCC)=O M10016281P [0,2,0,0,0,0|0,1,1]=4 320 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [0,2,0,0,0,0|2,0,0]=4 321 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [0,2,0,0,0,0|2,0,0]=4 322 B7R0.5 O=C(O)[C@H](N)COC M10505436P [0,2,0,0,0,0|2,0,0]=4 323 B7R0.5 O=C(O)[C@H](N)COC M10505437P [0,2,0,0,0,0|2,0,0]=4 324 B7R0.5 O=C(OCC)C(N)=O M10016280P [0,2,0,0,0,0|0,1,1]=4 325 B7R0.5 O=C(OCC)N(Cl)Cl M10125853P [0,2,0,0,0,0|1,1,0]=4 326 B7R0.7 C=C(OCC)OCC M10046654P [0,2,0,0,0,0|1,1,0]=4 327 B7R0.7 CCCC(OCCl)=O M10221194P [0,2,0,0,0,0|1,0,0]=3 328 B7R0.7 C\C(OCC)=N/C#N M10032691P [0,2,0,0,0,0|1,1,0]=4 329 B7R0.7 C\C=C\C(OCC)=O M10116065P [0,2,0,0,0,0|0,1,0]=3 330 B7R0.7 O=C(CCCl)CCCl M10055903P [0,2,0,0,0,0|2,0,0]=4 331 B7R0.7 O=C(OCC)C=[N+]=[N-] M10016667P [0,2,0,0,0,0|0,1,1]=4 332 B7R0.7 O=C(OCC)CCS M10076471P [0,2,0,0,0,0|0,1,0]=3 333 B7R0.7 O=C(OCC)CNN M10098052P [0,2,0,0,0,0|0,1,0]=3 334 B7R0.7 O=C(OCC)\C=C\I M10215517P [0,2,0,0,0,0|0,1,1]=4 335 B7R0.7 O=C(OCCl)OCC M10226366P [0,2,0,0,0,0|0,1,0]=3 336 B7R0.7 O=S(OCC)OCC M10016673P [0,2,0,0,0,0|1,1,0]=4 337 B7R0.10 C=C(CBr)C(OC)=O M10061142P [0,2,0,0,0,0|2,0,0]=4 338 B7R0.10 C=C(CCl)C(OC)=O M10023089P [0,2,0,0,0,0|2,0,0]=4 339 B7R0.10 C=C(CO)C(OC)=O M10137156P [0,2,0,0,0,0|2,0,0]=4 340 B7R0.10 CCC(C)C(C)C=O M10218111P [0,2,0,0,0,0|1,0,1]=4 341 B7R0.10 N[C@@H](CCl)C(OC)=O M10147479P [0,2,0,0,0,0|2,0,0]=4 342 B7R0.10 O=C(N(OC)C)CCl M10425298P [0,2,0,0,0,0|2,0,0]=4 343 B7R0.10 O=C(OC)C(Br)CBr M10035422P [0,2,0,0,0,0|2,0,0]=4 344 B7R0.10 O=C(OC)C(Cl)CCl M10056613P [0,2,0,0,0,0|2,0,0]=4 345 B7R0.10 O=C(OC)[C@@H](O)CO M10113922P [0,2,0,0,0,0|2,0,0]=4 346 B7R0.10 O=C(OC)[C@H](N)CCl M10682812P [0,2,0,0,0,0|2,0,0]=4 347 B7R0.10 O=C([C@@H](O)CO)CO M10013403P [0,2,0,0,0,0|2,0,0]=4 348 B7R0.9 C=C(C)CC(C)(C)C M10003431P [0,2,0,0,0,0|2,0,0]=4 349 B7R0.9 CC(C)(N)CC(O)=O M10016757P [0,2,0,0,0,0|2,0,0]=4 350 B7R0.9 CC(C)(N)CC(O)=O M10897138P [0,2,0,0,0,0|2,0,0]=4 351 B7R0.9 CC(C)(O)CC(O)=O M10016759P [0,2,0,0,0,0|2,0,0]=4 352 B7R0.9 CC(C)(O)CC([O-])=O M12004457P [0,2,0,0,0,0|2,0,0]=4 353 B7R0.9 CC(C)=CC(C)(C)C M10003432P [0,2,0,0,0,0|2,0,0]=4 354 B7R0.9 CC(CC(C)(S)C)=O M10163133P [0,2,0,0,0,0|1,0,0]=3 355 B7R0.16 CC(C)C(C(O)=O)=O M10019964P [0,2,0,0,0,0|2,0,0]=4 356 B7R0.16 CC(C)C(C([O-])=O)=O M10057013P [0,2,0,0,0,0|2,0,0]=4 357 B7R0.16 CC(C)C(C([O-])=O)=O M10262012P [0,2,0,0,0,0|2,0,0]=4 358 B7R0.16 CC(C)[C@@H](N)C(N)=O M10736332P [0,2,0,0,0,0|2,0,0]=4 359 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [0,2,0,0,0,0|2,0,0]=4 360 B7R0.13 CC[C@@](C)(N)C(O)=O M10050652P [0,2,0,0,0,0|2,0,0]=4 361 B7R0.13 CC[C@](C)(N)C(O)=O M10015239P [0,2,0,0,0,0|2,0,0]=4 362 B7R0.15 CC(N(CC)CC)=O M10018363P [0,2,0,0,0,0|1,0,0]=3 363 B7R0.4 CC(CCCCBr)=O M10113189P [0,2,0,0,0,0|1,0,0]=3 364 B7R0.4 CC(OCCOC)=O M10003718P [0,2,0,0,0,0|0,1,0]=3 365 B7R0.4 CCCCCC(Cl)=O M10005436P [0,2,0,0,0,0|2,0,0]=4 366 B7R0.4 O=C(Cl)OCCCCl M10016962P [0,2,0,0,0,0|1,1,0]=4 367 B7R0.4 O=C(Cl)\C=C\OCC M10084811P [0,2,0,0,0,0|1,1,0]=4 368 B7R0.4 O=C(N)COCCCl M10232141P [0,2,0,0,0,0|1,1,0]=4 369 B7R0.4 O=C(N)NCCCC M10195780P [0,2,0,0,0,0|2,0,0]=4 370 B7R0.4 O=C(N)NCCCC M10200467P [0,2,0,0,0,0|2,0,0]=4 371 B7R0.4 O=C(O)CCCC#N M10239045P [0,2,0,0,0,0|2,0,0]=4 372 B7R0.4 O=C(O)CCCCO M10123275P [0,2,0,0,0,0|2,0,0]=4 373 B7R0.4 O=C(O)CCOCC M10062024P [0,2,0,0,0,0|1,1,0]=4 374 B7R0.4 O=C(O)CNCCN M10183221P [0,2,0,0,0,0|2,0,0]=4 375 B7R0.4 O=C(O)COCCC M10276951P [0,2,0,0,0,0|1,1,0]=4 376 B7R0.4 O=C([O-])CCCCO M10233260P [0,2,0,0,0,0|2,0,0]=4 377 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [0,2,0,0,0,0|2,0,0]=4 378 B7R0.6 CC(CCC([O-])=O)=O M10183682P [0,2,0,0,0,0|1,0,1]=4 379 B7R0.6 CC(\C=C\N(C)C)=O M10047810P [0,2,0,0,0,0|1,0,1]=4 380 B7R0.6 C[S+](CCC(O)=O)C M10062116P [0,2,0,0,0,0|2,0,0]=4 381 B7R0.6 O=C(C)CCC([O-])=O M10015062P [0,2,0,0,0,0|1,0,1]=4 382 B7R0.6 O=C(Cl)OCC(C)C M10013714P [0,2,0,0,0,0|1,1,0]=4 383 B7R0.6 O=C(O)CCN(C)C M10133339P [0,2,0,0,0,0|2,0,0]=4 384 B5R1.2 ClC1CCC1 M10027170P [1,0,0,1,0,0|1,0,1]=4 385 B5R1.2 O=C1CNC1 M10150179P [1,0,0,1,0,0|1,0,0]=3 386 B5R1.2 O=C1CSC1 M10173528P [1,0,0,1,0,0|1,0,0]=3 387 B5R1.2 O=C1NCC1 M10023349P [1,0,0,1,0,0|1,0,0]=3 388 B5R1.3 CC[C@H]1OC1 M10057431P [1,0,0,1,0,0|0,0,2]=4 389 B5R1.5 NC1(C)CC1 M10177511P [1,0,0,1,0,0|1,0,1]=4 390 B5R1.1 C1CCCS1 M10003672P [1,0,0,1,0,0|0,0,1]=3 391 B5R1.1 O1NCCC1 M10012567P [1,0,0,1,0,0|1,1,0]=4 392 B7R1.1 CCC1=NCCO1 M10115051P [0,1,0,1,0,0|1,0,1]=4 393 B7R1.1 CSC1=NCCS1 M10163702P [0,1,0,1,0,0|1,0,0]=3 394 B7R1.1 ClCC1=NCCN1 M10122860P [0,1,0,1,0,0|2,0,0]=4 395 B7R1.1 O=CC1OCCC1 M10109701P [0,1,0,1,0,0|0,1,1]=4 396 B7R1.2 CC1=CSC(C)=C1 M10017342P [0,1,0,1,0,0|1,0,1]=4 397 B7R1.2 CC1OS(OC1)=O M10031271P [0,1,0,1,0,0|1,1,0]=4 398 B7R1.2 N[C@H]1COC(C1)=O M10174878P [0,1,0,1,0,0|0,1,0]=3 399 B7R1.2 O=C1CC(CC1)=O M10058164P [0,1,0,1,0,0|1,0,1]=4 400 B7R1.2 O=C1CN(C)CC1 M10472463P [0,1,0,1,0,0|1,0,0]=3 401 B7R1.2 O=C1NC(CC1)=O M10004579P [0,1,0,1,0,0|1,0,1]=4 402 B7R1.2 O=C1OC(C)=CC1 M10015036P [0,1,0,1,0,0|0,1,1]=4 403 B7R1.2 O=C1OC(CO1)C M10003516P [0,1,0,1,0,0|0,1,0]=3 404 B7R1.2 O=C1OCC(Cl)O1 M10058922P [0,1,0,1,0,0|1,1,0]=4 405 B7R1.2 O=C1OCC(F)O1 M10694293P [0,1,0,1,0,0|1,1,0]=4 406 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [0,1,0,1,0,0|0,1,0]=3 407 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [0,1,0,1,0,0|0,1,0]=3 408 B7R1.3 BrC1=CCOCC1 M10183929P [0,1,0,1,0,0|2,0,0]=4 409 B7R1.3 ClC1=CCCCC1 M10208207P [0,1,0,1,0,0|2,0,0]=4 410 B7R1.3 O=C1CCNCC1 M10246538P [0,1,0,1,0,0|1,0,0]=3 411 B7R1.3 O=C1CCNCC1 M10247465P [0,1,0,1,0,0|1,0,0]=3 412 B7R1.3 O=C1CCNCC1 M10857977P [0,1,0,1,0,0|1,0,0]=3 413 B7R1.3 O=C1CCOCC1 M10179636P [0,1,0,1,0,0|1,0,0]=3 414 B7R1.3 O=C1CNCCC1 M10342345P [0,1,0,1,0,0|1,0,0]=3 415 B7R1.3 O=C1NCCCN1 M10037131P [0,1,0,1,0,0|1,0,0]=3 416 B7R1.3 O=C1OCCOC1 M10050467P [0,1,0,1,0,0|0,1,0]=3 417 B7R1.3 O=S1CCCCC1 M10067807P [0,1,0,1,0,0|2,0,0]=4 418 B7R1.4 C=C1CCOC1=O M10013811P [0,1,0,1,0,0|0,1,1]=4 419 B7R1.4 CC1=CCCC1=O M10027183P [0,1,0,1,0,0|1,0,0]=3 420 B7R1.4 O=C1C(Br)CCC1 M10172483P [0,1,0,1,0,0|1,0,0]=3 421 B7R1.4 O=C1C(C)CCC1 M10027182P [0,1,0,1,0,0|1,0,0]=3 422 B7R1.4 O=C1C(Cl)CCC1 M10018599P [0,1,0,1,0,0|1,0,0]=3 423 B7R1.4 O=C1NCCC1O M10135336P [0,1,0,1,0,0|1,0,0]=3 424 B7R1.4 O=C1NCC[C@@H]1N M10060287P [0,1,0,1,0,0|1,0,0]=3 425 B7R1.4 O=C1NCC[C@@H]1N M10288485P [0,1,0,1,0,0|1,0,0]=3 426 B7R1.4 O=C1NCC[C@H]1O M10468150P [0,1,0,1,0,0|1,0,0]=3 427 B7R1.10 N#CC1CC(C1)=O M10164982P [0,1,0,1,0,0|1,0,1]=4 428 B7R1.10 O=C1CC(CO)C1 M10810765P [0,1,0,1,0,0|1,0,0]=3 429 B7R1.22 O=C([C@@H]1OC1)OC M12003527P [0,1,0,1,0,0|2,0,0]=4 430 B7R1.18 O=C(C1NCC1)O M10164146P [0,1,0,1,0,0|2,0,0]=4 431 B7R1.18 O=C(C1OCC1)O M10006194P [0,1,0,1,0,0|1,1,0]=4 432 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [0,1,0,1,0,0|2,0,0]=4 433 B7R1.18 O=C([C@H]1NCC1)O M10875068P [0,1,0,1,0,0|2,0,0]=4 434 B7R1.19 O=C(C1(C)CC1)N M10139369P [0,1,0,1,0,0|2,0,0]=4 435 B7R1.14 CC1(C)SCCN1 M10160446P [0,1,0,1,0,0|1,0,1]=4