0 B5R0.3 BrCC(Br)CBr M10002451P [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=CC(NC)=O M10028554P [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C=CC(O)C=C M10023103P [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 C=CC(O)CC M10016219P [0,0,0,0,0,0|2,0,0]=2 4 B5R0.3 C=C[C@H](O)CO M10361006P [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 CC(CBr)CBr M10201108P [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 CC(CCl)CBr M10099778P [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 CCC(Br)CC M10036560P [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 CCC(C)CBr M10114990P [0,0,0,0,0,0|1,0,1]=2 9 B5R0.3 CCC(C)CS M10037434P [0,0,0,0,0,0|0,1,1]=2 10 B5R0.3 CCC(C=O)=C M10023101P [0,0,0,0,0,0|0,0,2]=2 11 B5R0.3 CCC(CBr)=O M10021171P [0,0,0,0,0,0|2,0,2]=4 12 B5R0.3 CCC(N)CC M10016218P [0,0,0,0,0,0|2,0,1]=3 13 B5R0.3 CCC(N)CO M10120213P [0,0,0,0,0,0|1,0,2]=3 14 B5R0.3 CCC(NC)=O M10028553P [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 CCC(NO)=N M10205861P [0,0,0,0,0,0|2,0,2]=4 16 B5R0.3 CCC([Mg]Br)C M10023104P [0,0,0,0,0,0|2,0,0]=2 17 B5R0.3 CCC([Mg]Cl)C M12278734P [0,0,0,0,0,0|2,0,0]=2 18 B5R0.3 CC[Al](Cl)CC M10002450P [0,0,0,0,0,0|3,0,1]=4 19 B5R0.3 N#CC(Cl)CCl M12271704P [0,0,0,0,0,0|3,0,1]=4 20 B5R0.3 O=C(OC)C=O M10023106P [0,0,0,0,0,0|2,0,1]=3 21 B5R0.3 OC[C@@H](O)CN M12012902P [0,0,0,0,0,0|2,0,2]=4 22 B5R0.3 O[C@H](CCl)CN M10225134P [0,0,0,0,0,0|3,0,1]=4 23 B4R0.1 BrCC(Br)Br M12278717P [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 C=C(Br)CBr M10012799P [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 C=C(Br)CO M10015330P [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 C=C(C)C=O M10001153P [1,0,0,0,0,0|0,0,2]=3 27 B4R0.1 C=C(C)CBr M10031081P [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 C=CC(Cl)C M10014214P [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 CC(Br)C#N M10161139P [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CC(Br)CCl M10050225P [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 CC(C)=CBr M10050220P [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 CC(C)CI M10012803P [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 CC(CCl)=O M10001162P [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CC(CN)=O M10110205P [1,0,0,0,0,0|1,0,1]=3 35 B4R0.1 CC(O)C=C M10195978P [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(O)CCl M10004741P [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 CC(SC)=O M10032388P [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 CCC(N)=S M10017126P [1,0,0,0,0,0|1,1,1]=4 39 B4R0.1 CCC([O-])=O M10205103P [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 CCN(C)C M10015350P [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 CNC(C)C M10065934P [1,0,0,0,0,0|1,0,1]=3 42 B4R0.1 COC(Cl)Cl M10067022P [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 C[C@@H](N)CC M10122112P [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 C[C@@H](N)CN M10162469P [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 C[C@@H](O)C#C M10250149P [1,0,0,0,0,0|0,0,3]=4 46 B4R0.1 C[C@@H](O)CC M10133832P [1,0,0,0,0,0|0,0,1]=2 47 B4R0.1 C[C@H](O)C#C M10049007P [1,0,0,0,0,0|0,0,3]=4 48 B4R0.1 C[SiH](OC)C M10152986P [1,0,0,0,0,0|1,1,1]=4 49 B4R0.1 C\C(Br)=C\C M12004205P [1,0,0,0,0,0|1,0,2]=4 50 B4R0.1 FC(F)CCl M10008612P [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 NCC([O-])=O M10102492P [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 NCC([O-])=O M10164487P [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 NCC([O-])=O M10229094P [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 O=C(C)C=C M10001161P [1,0,0,0,0,0|0,0,3]=4 55 B4R0.1 O=C(Cl)CBr M10173456P [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 O=C(Cl)CF M10009145P [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 O=C(N)CF M10017415P [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 O=C(N)CN M10015343P [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 O=C([O-])CN M10133319P [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 O=C([O-])CO M10048155P [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 O=S(CO)[O-] M10005623P [1,0,0,0,0,0|3,0,0]=4 62 B4R0.1 O=S(CO)[O-] M10083044P [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 O=[N+](CBr)[O-] M10014222P [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 OC(C)C[O-] M12031334P [1,0,0,0,0,0|1,0,1]=3 65 B4R0.1 ONC(C)C M10255095P [1,0,0,0,0,0|1,0,1]=3 66 B4R0.1 SCC([O-])=O M10194150P [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 SCC([O-])=O M12278138P [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 [Li]C(C)CC M10015338P [1,0,0,0,0,0|1,0,0]=2 69 B4R0.1 [Mg](Br)C(C)C M10023048P [1,0,0,0,0,0|2,0,0]=3 70 B4R0.1 [NH-]CC(O)=O M12278746P [1,0,0,0,0,0|2,0,1]=4 71 B4R0.2 C#CCCBr M10237621P [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 C#CCCN M10128309P [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 C#CCCN M10528466P [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 C#CCCO M10023257P [1,0,0,0,0,0|2,0,1]=4 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|2,0,0]=3 77 B4R0.2 C=CCCN M10044983P [1,0,0,0,0,0|2,0,0]=3 78 B4R0.2 C=CCOC M10016921P [1,0,0,0,0,0|2,0,0]=3 79 B4R0.2 C=CC[Mg]Br M10035431P [1,0,0,0,0,0|3,0,0]=4 80 B4R0.2 C=CC[Mg]Cl M10046066P [1,0,0,0,0,0|3,0,0]=4 81 B4R0.2 CCCCN M10058158P [1,0,0,0,0,0|1,0,1]=3 82 B4R0.2 CCCC[O-] M10026120P [1,0,0,0,0,0|0,0,2]=3 83 B4R0.2 CCC[Mg]Cl M10041602P [1,0,0,0,0,0|2,0,0]=3 84 B4R0.2 CCOCCl M10052059P [1,0,0,0,0,0|2,0,1]=4 85 B4R0.2 CC[Zn]CC M10014098P [1,0,0,0,0,0|2,0,1]=4 86 B4R0.2 CSCCO M10070197P [1,0,0,0,0,0|1,0,2]=4 87 B4R0.2 CSCSC M10033691P [1,0,0,0,0,0|3,0,0]=4 88 B4R0.2 C\C=C\C=O M10004592P [1,0,0,0,0,0|0,0,2]=3 89 B4R0.2 C\C=C\CCl M10015079P [1,0,0,0,0,0|2,0,1]=4 90 B4R0.2 C\C=C\OC M10103777P [1,0,0,0,0,0|2,0,1]=4 91 B4R0.2 ClCCNC M10064229P [1,0,0,0,0,0|2,0,1]=4 92 B4R0.2 FCCCBr M10008947P [1,0,0,0,0,0|2,0,1]=4 93 B4R0.2 N#CCNC M10222298P [1,0,0,0,0,0|2,0,1]=4 94 B4R0.2 NCCOC M10003657P [1,0,0,0,0,0|2,0,1]=4 95 B4R0.2 NOCC=C M10238130P [1,0,0,0,0,0|3,0,0]=4 96 B4R0.2 NOCCN M10234700P [1,0,0,0,0,0|3,0,0]=4 97 B4R0.2 NOCCO M10052943P [1,0,0,0,0,0|3,0,0]=4 98 B4R0.2 OCCCF M10011351P [1,0,0,0,0,0|1,0,2]=4 99 B6R0.1 BrCCC(Br)CBr M10236117P [0,1,0,0,0,0|2,0,1]=4 100 B6R0.1 C=CC(NCC)=O M10081542P [0,1,0,0,0,0|2,0,1]=4 101 B6R0.1 C=CC(O)CCC M10066392P [0,1,0,0,0,0|2,0,0]=3 102 B6R0.1 C=CC(OCC)=O M10186126P [0,1,0,0,0,0|2,0,1]=4 103 B6R0.1 CC(OC)CCO M10044895P [0,1,0,0,0,0|2,0,0]=3 104 B6R0.1 CC(OC)COC M10110559P [0,1,0,0,0,0|2,0,0]=3 105 B6R0.1 CCCC(C)C=O M10004549P [0,1,0,0,0,0|0,0,0]=1 106 B6R0.1 CCC[C@H](N)CO M10176483P [0,1,0,0,0,0|1,0,2]=4 107 B6R0.1 NCC(C)CCN M10137967P [0,1,0,0,0,0|1,0,1]=3 108 B6R0.3 C=C(CBr)C(O)=O M10448395P [0,1,0,0,0,0|1,0,2]=4 109 B6R0.3 CC(C(CBr)=O)=O M10070633P [0,1,0,0,0,0|2,0,1]=4 110 B6R0.3 CC(C(S)CC)=O M10426560P [0,1,0,0,0,0|1,0,0]=2 111 B6R0.3 CC(N(C)C=C)=O M10052111P [0,1,0,0,0,0|1,0,2]=4 112 B6R0.3 CC(NC)C(O)=O M10015418P [0,1,0,0,0,0|1,0,0]=2 113 B6R0.3 CC(OC)C(O)=O M10062023P [0,1,0,0,0,0|1,0,0]=2 114 B6R0.3 CCC(B(O)O)C M10538835P [0,1,0,0,0,0|1,0,1]=3 115 B6R0.3 CCC(Br)C(Br)=O M10192304P [0,1,0,0,0,0|1,0,0]=2 116 B6R0.3 CCC(C(O)=O)=C M10055842P [0,1,0,0,0,0|0,0,2]=3 117 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [0,1,0,0,0,0|1,0,0]=2 118 B6R0.3 C\C(C(O)=O)=C\C M10014266P [0,1,0,0,0,0|0,0,2]=3 119 B6R0.3 N[C@@H](CS)C(O)=O M10201100P [0,1,0,0,0,0|2,0,0]=3 120 B6R0.3 N[C@H](CS)C(O)=O M10832565P [0,1,0,0,0,0|2,0,0]=3 121 B6R0.3 O=C(Cl)C(Br)CBr M10157298P [0,1,0,0,0,0|2,0,0]=3 122 B6R0.3 O=C(N)C(N)C#N M10095757P [0,1,0,0,0,0|2,0,1]=4 123 B6R0.3 O=C(N)N(C)N=O M10018346P [0,1,0,0,0,0|3,0,0]=4 124 B6R0.3 O=C(O)C(N)CS M10631134P [0,1,0,0,0,0|2,0,0]=3 125 B6R0.3 O=C(O)C(O)CCl M10035208P [0,1,0,0,0,0|2,0,0]=3 126 B6R0.3 O=C(O)[C@@H](N)CCl M10187309P [0,1,0,0,0,0|2,0,0]=3 127 B6R0.8 C=CS(=O)(CC)=O M10037600P [0,1,0,0,0,0|3,0,0]=4 128 B6R0.8 CC(NC)(C)CO M10199015P [0,1,0,0,0,0|1,0,2]=4 129 B6R0.8 O=CC(C)(C)CO M10015286P [0,1,0,0,0,0|1,0,0]=2 130 B6R0.9 C=CC(OC)OC M10083121P [0,1,0,0,0,0|2,0,0]=3 131 B6R0.9 CCB(CC)CC M10002595P [0,1,0,0,0,0|2,0,1]=4 132 B6R0.9 CCC(CC)C=O M10002597P [0,1,0,0,0,0|0,0,0]=1 133 B6R0.9 CC[BH-](CC)CC M10175726P [0,1,0,0,0,0|2,0,1]=4 134 B6R0.9 O=CC(C=O)C=O M10156595P [0,1,0,0,0,0|1,0,2]=4 135 B6R0.9 O=CN(CC)CC M10016308P [0,1,0,0,0,0|1,0,0]=2 136 B6R1.2 BrC1COCC1 M10160220P [0,0,0,1,0,0|1,0,2]=4 137 B6R1.2 CC1SCCS1 M10078227P [0,0,0,1,0,0|3,0,0]=4 138 B6R1.2 C[C@H]1NCCC1 M10246674P [0,0,0,1,0,0|2,0,0]=3 139 B6R1.2 FC1CNCC1 M10798431P [0,0,0,1,0,0|2,0,1]=4 140 B6R1.2 F[C@@H]1CNCC1 M10742011P [0,0,0,1,0,0|2,0,1]=4 141 B6R1.2 F[C@H]1CNCC1 M10939528P [0,0,0,1,0,0|2,0,1]=4 142 B6R1.2 NC1CNCC1 M10474878P [0,0,0,1,0,0|2,0,1]=4 143 B6R1.2 NC1COCC1 M10544670P [0,0,0,1,0,0|1,0,2]=4 144 B6R1.2 NC1COCC1 M10831251P [0,0,0,1,0,0|1,0,2]=4 145 B6R1.2 N[C@@H]1COCC1 M10654784P [0,0,0,1,0,0|1,0,2]=4 146 B6R1.2 N[C@@H]1COCC1 M10831252P [0,0,0,1,0,0|1,0,2]=4 147 B6R1.2 O[C@H]1COCC1 M10505325P [0,0,0,1,0,0|1,0,2]=4 148 B6R1.6 N#CC1CCC1 M10063091P [0,0,0,1,0,0|1,0,1]=3 149 B6R1.6 N#CC1CNC1 M10863453P [0,0,0,1,0,0|2,0,1]=4 150 B6R1.6 NCC1COC1 M10085393P [0,0,0,1,0,0|1,0,2]=4 151 B6R1.6 NCC1OCC1 M11018010P [0,0,0,1,0,0|2,0,1]=4 152 B6R1.6 NNC1CCC1 M11104847P [0,0,0,1,0,0|2,0,0]=3 153 B6R1.6 O=CC1CCC1 M10049905P [0,0,0,1,0,0|0,0,0]=1 154 B6R1.6 O=CC1COC1 M10128905P [0,0,0,1,0,0|1,0,0]=2 155 B6R1.6 OCC1CNC1 M10627648P [0,0,0,1,0,0|1,0,2]=4 156 B6R1.6 OCC1COC1 M10085394P [0,0,0,1,0,0|1,0,2]=4 157 B6R1.6 OC[C@H]1NCC1 M10655012P [0,0,0,1,0,0|1,0,2]=4 158 B6R1.7 CC1(CCl)OC1 M10015324P [0,0,0,1,0,0|1,0,2]=4 159 B6R1.7 OCC1(N)CC1 M10665765P [0,0,0,1,0,0|1,0,2]=4 160 B3R0.1 C#CC=O M10016729P [2,0,0,0,0,0|0,0,2]=4 161 B3R0.1 C=CCBr M12278706P [2,0,0,0,0,0|1,0,1]=4 162 B3R0.1 C=CCI M10014069P [2,0,0,0,0,0|1,0,1]=4 163 B3R0.1 C=CCN M10003408P [2,0,0,0,0,0|1,0,1]=4 164 B3R0.1 C=COC M10003420P [2,0,0,0,0,0|1,0,1]=4 165 B3R0.1 CCC#N M10003409P [2,0,0,0,0,0|1,0,1]=4 166 B3R0.1 CCC#N M10053961P [2,0,0,0,0,0|1,0,1]=4 167 B3R0.1 CCCN M10194639P [2,0,0,0,0,0|1,0,0]=3 168 B3R0.1 CCC[O-] M10018423P [2,0,0,0,0,0|0,0,1]=3 169 B3R0.1 CCC[O-] M10050959P [2,0,0,0,0,0|0,0,1]=3 170 B3R0.1 CCC[O-] M10180358P [2,0,0,0,0,0|0,0,1]=3 171 B3R0.1 CC[Mg]Br M10023187P [2,0,0,0,0,0|2,0,0]=4 172 B3R0.1 COCBr M10120227P [2,0,0,0,0,0|2,0,0]=4 173 B3R0.1 COCCl M10003424P [2,0,0,0,0,0|2,0,0]=4 174 B3R0.1 CONC M10027051P [2,0,0,0,0,0|2,0,0]=4 175 B3R0.1 C[Se][Se]C M10100996P [2,0,0,0,0,0|2,0,0]=4 176 B3R0.1 Cl[Mg]CC M10043221P [2,0,0,0,0,0|2,0,0]=4 177 B3R0.1 NCCO M10038856P [2,0,0,0,0,0|1,0,1]=4 178 B3R0.1 NOCC M10053406P [2,0,0,0,0,0|2,0,0]=4 179 B3R0.1 OCC=O M12277445P [2,0,0,0,0,0|1,0,0]=3 180 B3R0.1 ONCC M10249174P [2,0,0,0,0,0|1,0,1]=4 181 B3R0.2 CC(F)F M10000886P [2,0,0,0,0,0|2,0,0]=4 182 B3R0.2 CC(I)C M10000881P [2,0,0,0,0,0|1,0,0]=3 183 B3R0.2 CC(O)=O M10103976P [2,0,0,0,0,0|1,0,1]=4 184 B3R0.2 CC([O-])=O M10013508P [2,0,0,0,0,0|1,0,1]=4 185 B3R0.2 CC([O-])=O M10022986P [2,0,0,0,0,0|1,0,1]=4 186 B3R0.2 CC([O-])=O M10033374P [2,0,0,0,0,0|1,0,1]=4 187 B3R0.2 CC([O-])=O M10051025P [2,0,0,0,0,0|1,0,1]=4 188 B3R0.2 CC([O-])=O M10054051P [2,0,0,0,0,0|1,0,1]=4 189 B3R0.2 CC([O-])=O M10083855P [2,0,0,0,0,0|1,0,1]=4 190 B3R0.2 CC([O-])=O M10108862P [2,0,0,0,0,0|1,0,1]=4 191 B3R0.2 CC([O-])=O M10248137P [2,0,0,0,0,0|1,0,1]=4 192 B3R0.2 CC([O-])=O M10446324P [2,0,0,0,0,0|1,0,1]=4 193 B3R0.2 CC([O-])=O M10641144P [2,0,0,0,0,0|1,0,1]=4 194 B3R0.2 CC([O-])=O M11189623P [2,0,0,0,0,0|1,0,1]=4 195 B3R0.2 CC([O-])=O M11194227P [2,0,0,0,0,0|1,0,1]=4 196 B3R0.2 C[Al](C)C M10000875P [2,0,0,0,0,0|1,0,1]=4 197 B3R0.2 C[S+](C)C M10188680P [2,0,0,0,0,0|1,0,1]=4 198 B3R0.2 C[SiH](Cl)C M10025935P [2,0,0,0,0,0|1,1,0]=4 199 B3R0.2 O=[P+](C)C M10102480P [2,0,0,0,0,0|1,0,0]=3 200 B3R0.2 [Li]C(C)C M10037583P [2,0,0,0,0,0|1,0,0]=3 201 B5R0.1 C=C(C)C[Mg]Cl M10078985P [1,1,0,0,0,0|1,0,1]=4 202 B5R0.1 C=C(OCC)C M10023218P [1,1,0,0,0,0|0,0,1]=3 203 B5R0.1 C=COC(C)C M10023217P [1,1,0,0,0,0|1,0,0]=3 204 B5R0.1 CC(C)=CCCl M10012522P [1,1,0,0,0,0|1,0,1]=4 205 B5R0.1 CC(C)CCI M10013642P [1,1,0,0,0,0|0,0,1]=3 206 B5R0.1 CC(C)C[Mg]Br M10023214P [1,1,0,0,0,0|1,0,1]=4 207 B5R0.1 CC(CC#N)=O M10044340P [1,1,0,0,0,0|0,0,2]=4 208 B5R0.1 CC(CCCl)=O M10089400P [1,1,0,0,0,0|0,0,1]=3 209 B5R0.1 CC(COC)=O M10081509P [1,1,0,0,0,0|0,0,1]=3 210 B5R0.1 CC(N)CCC M10393249P [1,1,0,0,0,0|1,0,0]=3 211 B5R0.1 CC(N)CCO M10048445P [1,1,0,0,0,0|1,0,0]=3 212 B5R0.1 CC(OC=O)=O M10041862P [1,1,0,0,0,0|1,0,1]=4 213 B5R0.1 CC(OCC)=N M10041195P [1,1,0,0,0,0|1,0,1]=4 214 B5R0.1 CSCS(C)=O M10220911P [1,1,0,0,0,0|1,0,0]=3 215 B5R0.1 C[C@@H](N)CCO M10335804P [1,1,0,0,0,0|1,0,0]=3 216 B5R0.1 C[C@@H](O)CC#N M10720686P [1,1,0,0,0,0|0,0,2]=4 217 B5R0.1 C[C@@H](O)COC M10067779P [1,1,0,0,0,0|0,0,1]=3 218 B5R0.1 C[C@H](N)CCO M10335803P [1,1,0,0,0,0|1,0,0]=3 219 B5R0.1 C[C@H](O)CC#N M10717808P [1,1,0,0,0,0|0,0,2]=4 220 B5R0.1 C[C@H](O)COC M10194416P [1,1,0,0,0,0|0,0,1]=3 221 B5R0.1 C[SiH](OCC)C M10133661P [1,1,0,0,0,0|0,1,1]=4 222 B5R0.1 ClCOC(C)=O M10016791P [1,1,0,0,0,0|1,0,1]=4 223 B5R0.1 NCCN(C)C M10003486P [1,1,0,0,0,0|1,0,1]=4 224 B5R0.1 NNCC(C)C M10843147P [1,1,0,0,0,0|1,0,1]=4 225 B5R0.1 O=C(O)CCF M10011311P [1,1,0,0,0,0|1,0,1]=4 226 B5R0.1 O=C(O)CCO M10012525P [1,1,0,0,0,0|1,0,1]=4 227 B5R0.1 O=C([O-])CNC M10061947P [1,1,0,0,0,0|1,0,1]=4 228 B5R0.1 O=NOC(C)C M10013647P [1,1,0,0,0,0|1,0,0]=3 229 B5R0.1 O=[N+](CCO)[O-] M10016784P [1,1,0,0,0,0|2,0,0]=4 230 B5R0.4 C#CC(C)(Cl)C M10026841P [1,1,0,0,0,0|1,0,1]=4 231 B5R0.4 CC(C)(C)C#N M10017095P [1,1,0,0,0,0|1,0,1]=4 232 B5R0.4 CC(C)(C)CBr M10017094P [1,1,0,0,0,0|1,0,1]=4 233 B5R0.4 CC(C)(C)CN M10080700P [1,1,0,0,0,0|1,0,1]=4 234 B5R0.4 CC(C)(Cl)CC M10015192P [1,1,0,0,0,0|0,0,1]=3 235 B5R0.4 CC(C)(N)C#N M10160495P [1,1,0,0,0,0|1,0,1]=4 236 B5R0.4 CC(C)(N=O)C M12050084P [1,1,0,0,0,0|1,0,0]=3 237 B5R0.4 CC(C)(O)C#N M10000924P [1,1,0,0,0,0|1,0,1]=4 238 B5R0.4 CC(C)(OO)C M10000929P [1,1,0,0,0,0|1,0,1]=4 239 B5R0.4 CC(C)([N+]#[C-])C M10102252P [1,1,0,0,0,0|2,0,0]=4 240 B5R0.4 CC(F)(F)CO M10220340P [1,1,0,0,0,0|2,0,0]=4 241 B5R0.4 CC(N)(C)CN M10021064P [1,1,0,0,0,0|1,0,1]=4 242 B5R0.4 CC(O)(C)CCl M10014133P [1,1,0,0,0,0|1,0,1]=4 243 B5R0.4 CC(O)(C)CN M10048342P [1,1,0,0,0,0|1,0,1]=4 244 B5R0.4 CC([Mg]Cl)(C)C M10018190P [1,1,0,0,0,0|2,0,0]=4 245 B5R0.4 CC([O-])(C)CC M10245286P [1,1,0,0,0,0|0,0,1]=3 246 B5R0.4 CCS(=O)(O)=O M10015200P [1,1,0,0,0,0|2,0,0]=4 247 B5R0.4 CS(=O)(SC)=O M10188260P [1,1,0,0,0,0|2,0,0]=4 248 B5R0.4 C[Si](C=C)(Cl)C M10035273P [1,1,0,0,0,0|1,1,0]=4 249 B5R0.4 NC(C)(C)C#C M10049780P [1,1,0,0,0,0|1,0,1]=4 250 B5R0.4 NOC(C)(C)C M10240258P [1,1,0,0,0,0|2,0,0]=4 251 B5R0.4 O=CC(Br)(Br)Br M10003997P [1,1,0,0,0,0|2,0,0]=4 252 B5R0.4 ONC(C)(C)C M10144141P [1,1,0,0,0,0|1,0,1]=4 253 B5R0.4 ONC(C)(C)C M10295483P [1,1,0,0,0,0|1,0,1]=4 254 B5R0.4 ONC(C)(C)C M10846282P [1,1,0,0,0,0|1,0,1]=4 255 B5R0.5 CC(Br)C(Br)C M10073040P [1,1,0,0,0,0|1,0,0]=3 256 B5R0.5 CC(C(C)=C)=O M10021132P [1,1,0,0,0,0|0,0,2]=4 257 B5R0.5 CC(C([O-])=O)=C M10077430P [1,1,0,0,0,0|0,0,2]=4 258 B5R0.5 CC(C([O-])=O)=C M10097056P [1,1,0,0,0,0|0,0,2]=4 259 B5R0.5 CC(C)C([O-])=O M10209916P [1,1,0,0,0,0|0,0,0]=2 260 B5R0.5 CC(F)C(O)=O M10083620P [1,1,0,0,0,0|1,0,0]=3 261 B5R0.5 CC(S)C(C)C M10039796P [1,1,0,0,0,0|0,0,1]=3 262 B5R0.5 C[C@@H](Cl)C(Cl)=O M12278061P [1,1,0,0,0,0|1,0,0]=3 263 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [1,1,0,0,0,0|1,0,0]=3 264 B5R0.5 C[C@@H](O)C(O)=O M10114112P [1,1,0,0,0,0|1,0,0]=3 265 B5R0.5 C[C@@H](O)[C@@H](S)C M10234757P [1,1,0,0,0,0|0,0,1]=3 266 B5R0.5 C[C@@H](O)[C@H](O)C M10184381P [1,1,0,0,0,0|0,0,1]=3 267 B5R0.5 C[C@H](Br)C(O)=O M10217830P [1,1,0,0,0,0|1,0,0]=3 268 B5R0.5 C[C@H](O)[C@@H](O)C M10159152P [1,1,0,0,0,0|0,0,1]=3 269 B5R0.5 O=C(C)C([O-])=O M10204094P [1,1,0,0,0,0|1,0,1]=4 270 B5R0.5 O=C(O)C(Br)Cl M10077985P [1,1,0,0,0,0|2,0,0]=4 271 B5R0.5 O=C([O-])C(Cl)Cl M10040578P [1,1,0,0,0,0|2,0,0]=4 272 B5R0.5 OC(C)C([O-])=O M10140216P [1,1,0,0,0,0|1,0,0]=3 273 B5R0.5 OC(C)C([O-])=O M10189588P [1,1,0,0,0,0|1,0,0]=3 274 B5R0.5 [O-]C(C)C([O-])=O M10249277P [1,1,0,0,0,0|1,0,0]=3 275 B5R0.5 [S-]C(N(C)C)=S M10005183P [1,1,0,0,0,0|1,1,0]=4 276 B5R0.5 [S-]C(N(C)C)=S M10010846P [1,1,0,0,0,0|1,1,0]=4 277 B5R0.5 [S-]C(N(C)C)=S M10131431P [1,1,0,0,0,0|1,1,0]=4 278 B5R0.2 C=CCCCCl M10023281P [1,1,0,0,0,0|1,0,0]=3 279 B5R0.2 C=CCC[Mg]Br M10101008P [1,1,0,0,0,0|2,0,0]=4 280 B5R0.2 C=CCOCC M10014106P [1,1,0,0,0,0|1,0,0]=3 281 B5R0.2 C=COCCO M10020115P [1,1,0,0,0,0|2,0,0]=4 282 B5R0.2 CCCN=C=O M10003745P [1,1,0,0,0,0|0,0,1]=3 283 B5R0.2 CCCOC=C M10020114P [1,1,0,0,0,0|1,0,0]=3 284 B5R0.2 CCOCCCl M10016975P [1,1,0,0,0,0|1,0,1]=4 285 B5R0.2 CCSCCCl M10018543P [1,1,0,0,0,0|1,0,1]=4 286 B5R0.2 CCSCCO M10003744P [1,1,0,0,0,0|0,0,2]=4 287 B5R0.2 COCCOC M10003738P [1,1,0,0,0,0|2,0,0]=4 288 B5R0.2 C\C=C\OCC M10023285P [1,1,0,0,0,0|1,0,1]=4 289 B5R0.2 Cl[Mg]CCCC M10018540P [1,1,0,0,0,0|1,0,1]=4 290 B5R0.2 ICCCCI M10016968P [1,1,0,0,0,0|1,0,1]=4 291 B5R0.2 OCCCCBr M10196369P [1,1,0,0,0,0|0,0,2]=4 292 B5R0.2 OCCCCBr M10219049P [1,1,0,0,0,0|0,0,2]=4 293 B5R0.2 OCCCCCl M10030203P [1,1,0,0,0,0|0,0,2]=4 294 B7R0.2 CC(CN(C)C)CCl M10191746P [0,2,0,0,0,0|1,0,1]=4 295 B7R0.2 CC(N)CC(C)CC M10003248P [0,2,0,0,0,0|1,0,1]=4 296 B7R0.2 O=C(Cl)OC(C)CC M10149751P [0,2,0,0,0,0|0,0,0]=2 297 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 B7R0.3 C=CC(O)CCCC M10067454P [0,2,0,0,0,0|2,0,0]=4 300 B7R0.5 C#CC[C@H](N)C(O)=O M10179000P [0,2,0,0,0,0|1,0,1]=4 301 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [0,2,0,0,0,0|1,0,1]=4 302 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [0,2,0,0,0,0|1,0,1]=4 303 B7R0.5 CC(C(CCC)=O)=O M10058081P [0,2,0,0,0,0|1,0,1]=4 304 B7R0.5 CCCC(Br)C(O)=O M10014810P [0,2,0,0,0,0|1,0,0]=3 305 B7R0.5 CCCC(C)C(O)=O M10209692P [0,2,0,0,0,0|0,0,0]=2 306 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [0,2,0,0,0,0|0,0,1]=3 307 B7R0.5 O=C(O)C(Cl)COC M10045189P [0,2,0,0,0,0|1,0,0]=3 308 B7R0.5 O=C(O)C(F)CCN M10193859P [0,2,0,0,0,0|1,0,0]=3 309 B7R0.5 O=C(O)C(N)CCN M10024859P [0,2,0,0,0,0|1,0,0]=3 310 B7R0.5 O=C(O)C(OCC)=O M10016281P [0,2,0,0,0,0|1,0,1]=4 311 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [0,2,0,0,0,0|1,0,0]=3 312 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [0,2,0,0,0,0|1,0,0]=3 313 B7R0.5 O=C(O)[C@H](N)COC M10505436P [0,2,0,0,0,0|1,0,0]=3 314 B7R0.5 O=C(O)[C@H](N)COC M10505437P [0,2,0,0,0,0|1,0,0]=3 315 B7R0.5 O=C(OCC)C(N)=O M10016280P [0,2,0,0,0,0|1,0,1]=4 316 B7R0.10 CCC(C)C(C)C=O M10218111P [0,2,0,0,0,0|0,0,0]=2 317 B7R0.10 NCC(C)[C@@H](CO)N M10491820P [0,2,0,0,0,0|1,0,1]=4 318 B7R0.10 N[C@@H](CCl)C(OC)=O M10147479P [0,2,0,0,0,0|2,0,0]=4 319 B7R0.10 O=C(N(OC)C)CCl M10425298P [0,2,0,0,0,0|2,0,0]=4 320 B7R0.10 O=C(NN)C(N)CO M10285009P [0,2,0,0,0,0|2,0,0]=4 321 B7R0.10 O=C(OC)C(Br)CBr M10035422P [0,2,0,0,0,0|2,0,0]=4 322 B7R0.10 O=C(OC)C(Cl)CCl M10056613P [0,2,0,0,0,0|2,0,0]=4 323 B7R0.10 O=C(OC)[C@@H](O)CO M10113922P [0,2,0,0,0,0|2,0,0]=4 324 B7R0.10 O=C(OC)[C@H](N)CCl M10682812P [0,2,0,0,0,0|2,0,0]=4 325 B7R0.10 O=C([C@@H](O)CO)CO M10013403P [0,2,0,0,0,0|2,0,0]=4 326 B7R0.11 C=C[Si](C)(OCC)C M10072047P [0,2,0,0,0,0|1,1,0]=4 327 B7R0.11 C[C@@](O)(OCC)CO M10787517P [0,2,0,0,0,0|0,0,2]=4 328 B7R0.12 COCC(OC)OC M10184276P [0,2,0,0,0,0|2,0,0]=4 329 B7R0.12 OCC(CCC)CO M10045939P [0,2,0,0,0,0|0,0,2]=4 330 B7R0.13 C#CC(C)(C)C(O)=O M10289912P [0,2,0,0,0,0|0,0,2]=4 331 B7R0.13 C=CC(C)(C)C(O)=O M10113674P [0,2,0,0,0,0|0,0,2]=4 332 B7R0.13 CC(C)(C#N)C(N)=O M10107842P [0,2,0,0,0,0|1,0,1]=4 333 B7R0.13 CC(C)(ON)C(O)=O M10581540P [0,2,0,0,0,0|2,0,0]=4 334 B7R0.13 CC(C)C(C)(N)C#N M10127141P [0,2,0,0,0,0|1,0,1]=4 335 B7R0.13 CC[C@@](C)(N)C(O)=O M10050652P [0,2,0,0,0,0|0,0,0]=2 336 B7R0.13 CC[C@](C)(N)C(O)=O M10015239P [0,2,0,0,0,0|0,0,0]=2 337 B7R0.13 N[C@@](CO)(C)C(O)=O M10482199P [0,2,0,0,0,0|1,0,0]=3 338 B7R0.13 O=C(N)C(C)(C)CN M10858578P [0,2,0,0,0,0|1,0,0]=3 339 B7R0.13 O=C(O)C(C)(C)CO M10066659P [0,2,0,0,0,0|1,0,0]=3 340 B7R0.13 O=C(O)C(F)(F)CN M11105330P [0,2,0,0,0,0|2,0,0]=4 341 B7R0.13 O=C(O)[C@@](C)(N)CO M10145330P [0,2,0,0,0,0|1,0,0]=3 342 B7R0.15 CC(N(CC)CC)=O M10018363P [0,2,0,0,0,0|1,0,0]=3 343 B7R0.15 O=C(O)C(CBr)CBr M10245960P [0,2,0,0,0,0|1,0,0]=3 344 B7R0.15 OCC([N+]([O-])=O)CO M10036358P [0,2,0,0,0,0|2,0,0]=4 345 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [0,2,0,0,0,0|1,0,1]=4 346 B7R0.16 CC(C)C(C(O)=O)=O M10019964P [0,2,0,0,0,0|1,0,1]=4 347 B7R0.16 CC(C)C(C([O-])=O)=O M10057013P [0,2,0,0,0,0|1,0,1]=4 348 B7R0.16 CC(C)C(C([O-])=O)=O M10262012P [0,2,0,0,0,0|1,0,1]=4 349 B7R0.16 CC(C)[C@@H](N)C(N)=O M10736332P [0,2,0,0,0,0|1,0,0]=3 350 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [0,2,0,0,0,0|0,0,0]=2 351 B7R0.16 O=C(O)C(C)C(O)=O M10012870P [0,2,0,0,0,0|1,0,1]=4 352 B7R0.18 OCC(CC)(N)CO M10004031P [0,2,0,0,0,0|0,0,2]=4 353 B5R1.2 BrC1COC1 M10239305P [1,0,0,1,0,0|2,0,0]=4 354 B5R1.2 ClC1CCC1 M10027170P [1,0,0,1,0,0|1,0,0]=3 355 B5R1.2 NC1CNC1 M10646351P [1,0,0,1,0,0|2,0,0]=4 356 B5R1.2 NC1CNC1 M10646354P [1,0,0,1,0,0|2,0,0]=4 357 B5R1.2 O=C1CNC1 M10150179P [1,0,0,1,0,0|1,0,1]=4 358 B5R1.2 O=C1CSC1 M10173528P [1,0,0,1,0,0|1,0,1]=4 359 B5R1.2 O=C1NCC1 M10023349P [1,0,0,1,0,0|1,0,1]=4 360 B5R1.2 OC1CNC1 M10251272P [1,0,0,1,0,0|1,0,1]=4 361 B5R1.3 Br[Mg]C1CC1 M10181403P [1,0,0,1,0,0|2,0,0]=4 362 B5R1.3 CC[C@H]1OC1 M10057431P [1,0,0,1,0,0|0,0,1]=3 363 B5R1.3 CNC1CC1 M10424936P [1,0,0,1,0,0|1,0,1]=4 364 B5R1.3 NNC1CC1 M10835729P [1,0,0,1,0,0|2,0,0]=4 365 B5R1.4 N[C@H]1[C@H](N)C1 M10052054P [1,0,0,1,0,0|2,0,0]=4 366 B5R1.5 NC1(C)CC1 M10177511P [1,0,0,1,0,0|1,0,0]=3 367 B5R1.1 C1CCCS1 M10003672P [1,0,0,1,0,0|0,1,1]=4 368 B5R1.1 O1NCCC1 M10012567P [1,0,0,1,0,0|1,0,1]=4 369 B7R1.1 BrCC1CCCC1 M10057867P [0,1,0,1,0,0|1,0,1]=4 370 B7R1.1 Br[Mg]C1CCCC1 M10219729P [0,1,0,1,0,0|2,0,0]=4 371 B7R1.1 COC1CCCC1 M10078199P [0,1,0,1,0,0|1,0,1]=4 372 B7R1.1 COC1CNCC1 M10742008P [0,1,0,1,0,0|1,0,1]=4 373 B7R1.1 Cl[Mg]C1CCCC1 M12276705P [0,1,0,1,0,0|2,0,0]=4 374 B7R1.1 N#CC1COCC1 M10132399P [0,1,0,1,0,0|1,0,1]=4 375 B7R1.1 N#C[C@H]1NCCC1 M10414859P [0,1,0,1,0,0|1,0,1]=4 376 B7R1.1 NCC1CCCC1 M10302882P [0,1,0,1,0,0|1,0,1]=4 377 B7R1.1 NCC1COCC1 M10794275P [0,1,0,1,0,0|0,0,2]=4 378 B7R1.1 NCC1COCC1 M10812914P [0,1,0,1,0,0|0,0,2]=4 379 B7R1.1 NCC1OCCC1 M10066380P [0,1,0,1,0,0|1,0,1]=4 380 B7R1.1 NC[C@@H]1OCCC1 M10102346P [0,1,0,1,0,0|1,0,1]=4 381 B7R1.1 NC[C@H]1OCCC1 M10102169P [0,1,0,1,0,0|1,0,1]=4 382 B7R1.1 O=CC1OCCC1 M10109701P [0,1,0,1,0,0|0,0,0]=2 383 B7R1.1 OCC1COCC1 M10138830P [0,1,0,1,0,0|0,0,2]=4 384 B7R1.1 OC[C@@H]1CNCC1 M10673087P [0,1,0,1,0,0|0,0,2]=4 385 B7R1.1 OC[C@H]1CNCC1 M10673086P [0,1,0,1,0,0|0,0,2]=4 386 B7R1.2 CC1OS(OC1)=O M10031271P [0,1,0,1,0,0|2,0,0]=4 387 B7R1.2 N[C@H]1COC(C1)=O M10174878P [0,1,0,1,0,0|2,0,0]=4 388 B7R1.2 O=C1CC(CC1)=O M10058164P [0,1,0,1,0,0|1,0,1]=4 389 B7R1.2 O=C1CN(C)CC1 M10472463P [0,1,0,1,0,0|1,0,0]=3 390 B7R1.2 O=C1NC(CC1)=O M10004579P [0,1,0,1,0,0|1,0,1]=4 391 B7R1.2 O=C1OC(C)=CC1 M10015036P [0,1,0,1,0,0|0,0,2]=4 392 B7R1.2 O=C1OC(CO1)C M10003516P [0,1,0,1,0,0|1,0,0]=3 393 B7R1.2 O=C1OCC(Cl)O1 M10058922P [0,1,0,1,0,0|2,0,0]=4 394 B7R1.2 O=C1OCC(F)O1 M10694293P [0,1,0,1,0,0|2,0,0]=4 395 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [0,1,0,1,0,0|1,0,0]=3 396 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [0,1,0,1,0,0|2,0,0]=4 397 B7R1.3 CC1CNCCO1 M10198590P [0,1,0,1,0,0|1,0,1]=4 398 B7R1.3 C[C@@H]1NCCOC1 M11094562P [0,1,0,1,0,0|0,0,2]=4 399 B7R1.3 C[C@H]1CNCCC1 M10841057P [0,1,0,1,0,0|1,0,1]=4 400 B7R1.3 C[C@H]1CNCCO1 M10456369P [0,1,0,1,0,0|1,0,1]=4 401 B7R1.3 C[C@H]1CNCCO1 M11103989P [0,1,0,1,0,0|1,0,1]=4 402 B7R1.3 C[C@H]1NCCCC1 M10035322P [0,1,0,1,0,0|1,0,1]=4 403 B7R1.3 C[C@H]1NCCOC1 M10088620P [0,1,0,1,0,0|0,0,2]=4 404 B7R1.3 C[C@H]1NCCOC1 M10456366P [0,1,0,1,0,0|0,0,2]=4 405 B7R1.4 C=C1CCOC1=O M10013811P [0,1,0,1,0,0|0,0,2]=4 406 B7R1.4 CC1=CCCC1=O M10027183P [0,1,0,1,0,0|0,0,1]=3 407 B7R1.4 O=C1C(Br)CCC1 M10172483P [0,1,0,1,0,0|1,0,0]=3 408 B7R1.4 O=C1C(C)CCC1 M10027182P [0,1,0,1,0,0|0,0,0]=2 409 B7R1.4 O=C1C(Cl)CCC1 M10018599P [0,1,0,1,0,0|1,0,0]=3 410 B7R1.4 O=C1NCCC1O M10135336P [0,1,0,1,0,0|1,0,0]=3 411 B7R1.4 O=C1NCC[C@@H]1N M10060287P [0,1,0,1,0,0|1,0,0]=3 412 B7R1.4 O=C1NCC[C@@H]1N M10288485P [0,1,0,1,0,0|1,0,0]=3 413 B7R1.4 O=C1NCC[C@H]1O M10468150P [0,1,0,1,0,0|1,0,0]=3 414 B7R1.6 COCC1CNC1 M10085751P [0,1,0,1,0,0|1,0,1]=4 415 B7R1.6 NCCC1COC1 M11122690P [0,1,0,1,0,0|0,0,2]=4 416 B7R1.6 OCCC1COC1 M10845630P [0,1,0,1,0,0|0,0,2]=4 417 B7R1.10 N#CC1CC(C1)=O M10164982P [0,1,0,1,0,0|1,0,1]=4 418 B7R1.10 O=C1CC(CO)C1 M10810765P [0,1,0,1,0,0|1,0,0]=3 419 B7R1.10 OC1CC(NC)C1 M10139149P [0,1,0,1,0,0|2,0,0]=4 420 B7R1.25 CC1(CBr)COC1 M10471446P [0,1,0,1,0,0|1,0,1]=4 421 B7R1.25 CC1(OC)CNC1 M11031643P [0,1,0,1,0,0|2,0,0]=4 422 B7R1.25 OC1(CC)CNC1 M10084152P [0,1,0,1,0,0|1,0,1]=4 423 B7R1.25 OCC1(N)CCC1 M10808213P [0,1,0,1,0,0|0,0,2]=4 424 B7R1.27 CC1(C#N)C(C)C1 M10785688P [0,1,0,1,0,0|1,0,1]=4 425 B7R1.18 N=C(C1CCC1)N M10444128P [0,1,0,1,0,0|1,0,0]=3 426 B7R1.18 O=C(C1NCC1)O M10164146P [0,1,0,1,0,0|1,0,0]=3 427 B7R1.18 O=C(C1OCC1)O M10006194P [0,1,0,1,0,0|1,0,0]=3 428 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [0,1,0,1,0,0|1,0,0]=3 429 B7R1.18 O=C([C@H]1NCC1)O M10875068P [0,1,0,1,0,0|1,0,0]=3 430 B7R1.18 OB(C1CCC1)O M10997879P [0,1,0,1,0,0|1,0,1]=4 431 B7R1.19 O=C(C1(C)CC1)N M10139369P [0,1,0,1,0,0|0,0,0]=2 432 B7R1.23 N#CC1C(C)(C)C1 M10079621P [0,1,0,1,0,0|1,0,1]=4 433 B7R1.14 CC1(C)NCCC1 M10225767P [0,1,0,1,0,0|2,0,0]=4 434 B7R1.29 BrCC1(CBr)CC1 M10204886P [0,1,0,1,0,0|1,0,1]=4 435 B7R1.29 N#CC1(CO)CC1 M10636057P [0,1,0,1,0,0|1,0,1]=4