0 B5R0.5 CC(Br)C(Br)C M10073040P [0,0,0,0,0,0|2,0,0]=2 1 B5R0.5 CC(C(C)=C)=O M10021132P [0,0,0,0,0,0|0,1,3]=4 2 B5R0.5 CC(C)C([O-])=O M10209916P [0,0,0,0,0,0|1,1,1]=3 3 B5R0.5 CC(F)C(O)=O M10083620P [0,0,0,0,0,0|2,1,1]=4 4 B5R0.5 CC(S)C(C)C M10039796P [0,0,0,0,0,0|0,0,0]=0 5 B5R0.5 C[C@@H](Cl)C(Cl)=O M12278061P [0,0,0,0,0,0|2,1,1]=4 6 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [0,0,0,0,0,0|2,1,1]=4 7 B5R0.5 C[C@@H](O)C(O)=O M10114112P [0,0,0,0,0,0|2,1,1]=4 8 B5R0.5 C[C@@H](O)[C@@H](S)C M10234757P [0,0,0,0,0,0|1,0,0]=1 9 B5R0.5 C[C@@H](O)[C@H](O)C M10184381P [0,0,0,0,0,0|1,1,0]=2 10 B5R0.5 C[C@H](Br)C(O)=O M10217830P [0,0,0,0,0,0|2,1,1]=4 11 B5R0.5 C[C@H](O)[C@@H](O)C M10159152P [0,0,0,0,0,0|1,1,0]=2 12 B5R0.5 OC(C)C([O-])=O M10140216P [0,0,0,0,0,0|2,1,1]=4 13 B5R0.5 OC(C)C([O-])=O M10189588P [0,0,0,0,0,0|2,1,1]=4 14 B5R0.5 [O-]C(C)C([O-])=O M10249277P [0,0,0,0,0,0|2,1,1]=4 15 B5R0.5 [S-]C(N(C)C)=S M10005183P [0,0,0,0,0,0|2,0,2]=4 16 B5R0.5 [S-]C(N(C)C)=S M10010846P [0,0,0,0,0,0|2,0,2]=4 17 B5R0.5 [S-]C(N(C)C)=S M10131431P [0,0,0,0,0,0|2,0,2]=4 18 B4R0.1 BrCC(Br)Br M12278717P [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 C=C(C)CBr M10031081P [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 C=CC(Cl)C M10014214P [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 CC(Br)C#N M10161139P [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 CC(Br)CCl M10050225P [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 CC(C)=CBr M10050220P [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 CC(C)CI M10012803P [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 CC(CCl)=O M10001162P [1,0,0,0,0,0|1,1,1]=4 26 B4R0.1 CC(CN)=O M10110205P [1,0,0,0,0,0|1,1,1]=4 27 B4R0.1 CC(O)C=C M10195978P [1,0,0,0,0,0|0,1,2]=4 28 B4R0.1 CC(O)CCl M10004741P [1,0,0,0,0,0|1,1,0]=3 29 B4R0.1 CC(SC)=O M10032388P [1,0,0,0,0,0|1,1,1]=4 30 B4R0.1 CCC(N)=S M10017126P [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 CCC([O-])=O M10205103P [1,0,0,0,0,0|1,1,1]=4 32 B4R0.1 CCN(C)C M10015350P [1,0,0,0,0,0|1,0,0]=2 33 B4R0.1 CNC(C)C M10065934P [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 COC(Cl)Cl M10067022P [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 C[C@@H](N)CC M10122112P [1,0,0,0,0,0|1,0,0]=2 36 B4R0.1 C[C@@H](N)CN M10162469P [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 C[C@@H](O)C#C M10250149P [1,0,0,0,0,0|0,1,2]=4 38 B4R0.1 C[C@@H](O)CC M10133832P [1,0,0,0,0,0|0,1,0]=2 39 B4R0.1 C[C@H](O)C#C M10049007P [1,0,0,0,0,0|0,1,2]=4 40 B4R0.1 C[SiH](OC)C M10152986P [1,0,0,0,0,0|1,1,0]=3 41 B4R0.1 C\C(Br)=C\C M12004205P [1,0,0,0,0,0|1,0,2]=4 42 B4R0.1 FC(F)CCl M10008612P [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 OC(C)C[O-] M12031334P [1,0,0,0,0,0|1,1,0]=3 44 B4R0.1 ONC(C)C M10255095P [1,0,0,0,0,0|1,1,0]=3 45 B4R0.1 SCC([O-])=O M10194150P [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 SCC([O-])=O M12278138P [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 [Li]C(C)CC M10015338P [1,0,0,0,0,0|1,0,0]=2 48 B4R0.1 [Mg](Br)C(C)C M10023048P [1,0,0,0,0,0|2,0,0]=3 49 B6R0.3 CC(C(S)CC)=O M10426560P [0,1,0,0,0,0|1,0,1]=3 50 B6R0.3 CC(C)C(OC)=O M10013809P [0,1,0,0,0,0|0,1,1]=3 51 B6R0.3 CC(NC)C(O)=O M10015418P [0,1,0,0,0,0|1,1,1]=4 52 B6R0.3 CC(O)C(OC)=O M10013810P [0,1,0,0,0,0|1,1,1]=4 53 B6R0.3 CC(OC)C(O)=O M10062023P [0,1,0,0,0,0|1,1,1]=4 54 B6R0.3 CCC(B(O)O)C M10538835P [0,1,0,0,0,0|2,1,0]=4 55 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [0,1,0,0,0,0|1,1,1]=4 56 B6R0.3 C[C@H](O)C(OC)=O M10199944P [0,1,0,0,0,0|1,1,1]=4 57 B6R0.3 O=C(N(C)C)CBr M10076656P [0,1,0,0,0,0|1,1,1]=4 58 B6R0.3 O=C(N(C)C)CN M10037195P [0,1,0,0,0,0|1,1,1]=4 59 B6R0.3 O=C(N(C)C)CN M10446751P [0,1,0,0,0,0|1,1,1]=4 60 B6R0.7 CC(C(C)(O)C)=O M10004002P [0,1,0,0,0,0|0,1,1]=3 61 B6R0.7 CC(C)(Br)C(Cl)=O M12277198P [0,1,0,0,0,0|1,1,1]=4 62 B6R0.7 CC(C)(Br)C(N)=O M10105866P [0,1,0,0,0,0|1,1,1]=4 63 B6R0.7 CC(C)(C)C(N)=O M10019870P [0,1,0,0,0,0|1,1,1]=4 64 B6R0.7 CC(C)(C)C([O-])=O M10179561P [0,1,0,0,0,0|1,1,1]=4 65 B6R0.7 CC(C)(Cl)C(O)=O M10015207P [0,1,0,0,0,0|1,1,1]=4 66 B6R0.7 CC(C)(F)C(O)=O M10396272P [0,1,0,0,0,0|1,1,1]=4 67 B6R0.7 CC(C)(S)C(O)=O M10065399P [0,1,0,0,0,0|1,1,1]=4 68 B6R0.7 CC(N)C(F)(F)F M10010450P [0,1,0,0,0,0|3,0,0]=4 69 B6R0.7 CC(N)C(F)(F)F M10049650P [0,1,0,0,0,0|3,0,0]=4 70 B6R0.7 CC(O)(C)C(N)=O M10119909P [0,1,0,0,0,0|1,1,1]=4 71 B6R0.7 CC(O)C(F)(F)F M12018254P [0,1,0,0,0,0|2,1,0]=4 72 B6R0.7 CC([B-](F)(F)F)C M10096450P [0,1,0,0,0,0|3,0,0]=4 73 B6R0.7 CC([Si](C)(Cl)C)C M10056266P [0,1,0,0,0,0|1,1,0]=3 74 B6R0.7 C[SiH](C(C)(C)C)C M10207057P [0,1,0,0,0,0|1,1,0]=3 75 B6R0.7 Cl[Si](C)(C(Cl)Cl)C M10153799P [0,1,0,0,0,0|2,1,0]=4 76 B6R1.9 NC1C(F)(F)C1 M10659112P [0,0,0,1,0,0|3,0,0]=4 77 B6R0.2 CC(N)CC(C)C M10444558P [0,0,0,0,0,1|1,0,0]=2 78 B6R0.2 CC(NC(C)C)C M10017887P [0,0,0,0,0,1|1,0,0]=2 79 B6R0.2 CC(OC(Br)C)=O M10242154P [0,0,0,0,0,1|1,1,1]=4 80 B6R0.2 CN(C)CN(C)C M10000175P [0,0,0,0,0,1|3,0,0]=4 81 B6R0.2 NC(C)CC(C)C M10003493P [0,0,0,0,0,1|1,0,0]=2 82 B3R0.1 CCC#N M10003409P [2,0,0,0,0,0|1,0,1]=4 83 B3R0.1 CCC#N M10053961P [2,0,0,0,0,0|1,0,1]=4 84 B3R0.1 CCCN M10194639P [2,0,0,0,0,0|1,0,0]=3 85 B3R0.1 CCC[O-] M10018423P [2,0,0,0,0,0|0,1,0]=3 86 B3R0.1 CCC[O-] M10050959P [2,0,0,0,0,0|0,1,0]=3 87 B3R0.1 CCC[O-] M10180358P [2,0,0,0,0,0|0,1,0]=3 88 B3R0.1 CC[Mg]Br M10023187P [2,0,0,0,0,0|2,0,0]=4 89 B3R0.1 COCBr M10120227P [2,0,0,0,0,0|2,0,0]=4 90 B3R0.1 COCCl M10003424P [2,0,0,0,0,0|2,0,0]=4 91 B3R0.1 CONC M10027051P [2,0,0,0,0,0|2,0,0]=4 92 B3R0.1 C[Se][Se]C M10100996P [2,0,0,0,0,0|2,0,0]=4 93 B3R0.1 Cl[Mg]CC M10043221P [2,0,0,0,0,0|2,0,0]=4 94 B3R0.1 NCCO M10038856P [2,0,0,0,0,0|1,1,0]=4 95 B3R0.1 NOCC M10053406P [2,0,0,0,0,0|2,0,0]=4 96 B3R0.1 ONCC M10249174P [2,0,0,0,0,0|1,1,0]=4 97 B3R0.2 CC(F)F M10000886P [2,0,0,0,0,0|2,0,0]=4 98 B3R0.2 CC(I)C M10000881P [2,0,0,0,0,0|1,0,0]=3 99 B3R0.2 C[Al](C)C M10000875P [2,0,0,0,0,0|1,0,0]=3 100 B3R0.2 C[S+](C)C M10188680P [2,0,0,0,0,0|1,0,0]=3 101 B3R0.2 C[SiH](Cl)C M10025935P [2,0,0,0,0,0|1,1,0]=4 102 B3R0.2 O=[P+](C)C M10102480P [2,0,0,0,0,0|1,1,0]=4 103 B3R0.2 [Li]C(C)C M10037583P [2,0,0,0,0,0|1,0,0]=3 104 B5R0.1 C=C(OCC)C M10023218P [1,1,0,0,0,0|0,0,2]=4 105 B5R0.1 C=COC(C)C M10023217P [1,1,0,0,0,0|0,0,2]=4 106 B5R0.1 CC(C)=CCCl M10012522P [1,1,0,0,0,0|0,0,2]=4 107 B5R0.1 CC(C)CCI M10013642P [1,1,0,0,0,0|0,0,0]=2 108 B5R0.1 CC(C)C[Mg]Br M10023214P [1,1,0,0,0,0|1,0,0]=3 109 B5R0.1 CC(CCCl)=O M10089400P [1,1,0,0,0,0|0,1,1]=4 110 B5R0.1 CC(COC)=O M10081509P [1,1,0,0,0,0|0,1,1]=4 111 B5R0.1 CC(N)CCC M10393249P [1,1,0,0,0,0|1,0,0]=3 112 B5R0.1 CC(N)CCO M10048445P [1,1,0,0,0,0|1,0,0]=3 113 B5R0.1 CC(OCC)=N M10041195P [1,1,0,0,0,0|1,0,1]=4 114 B5R0.1 CSCS(C)=O M10220911P [1,1,0,0,0,0|1,1,0]=4 115 B5R0.1 C[C@@H](N)CCO M10335804P [1,1,0,0,0,0|1,0,0]=3 116 B5R0.1 C[C@@H](O)CC#N M10720686P [1,1,0,0,0,0|0,1,1]=4 117 B5R0.1 C[C@@H](O)COC M10067779P [1,1,0,0,0,0|0,1,0]=3 118 B5R0.1 C[C@H](N)CCO M10335803P [1,1,0,0,0,0|1,0,0]=3 119 B5R0.1 C[C@H](O)CC#N M10717808P [1,1,0,0,0,0|0,1,1]=4 120 B5R0.1 C[C@H](O)COC M10194416P [1,1,0,0,0,0|0,1,0]=3 121 B5R0.1 C[SiH](OCC)C M10133661P [1,1,0,0,0,0|0,1,0]=3 122 B5R0.1 N#CCN(C)C M10023216P [1,1,0,0,0,0|1,0,1]=4 123 B5R0.1 NCCN(C)C M10003486P [1,1,0,0,0,0|1,0,0]=3 124 B5R0.1 NNCC(C)C M10843147P [1,1,0,0,0,0|1,0,0]=3 125 B5R0.1 O=NOC(C)C M10013647P [1,1,0,0,0,0|1,1,0]=4 126 B5R0.3 BrCC(Br)CBr M10002451P [1,1,0,0,0,0|2,0,0]=4 127 B5R0.3 C=CC(O)CC M10016219P [1,1,0,0,0,0|0,1,1]=4 128 B5R0.3 CC(CBr)CBr M10201108P [1,1,0,0,0,0|1,0,0]=3 129 B5R0.3 CC(CCl)CBr M10099778P [1,1,0,0,0,0|1,0,0]=3 130 B5R0.3 CCC(Br)CC M10036560P [1,1,0,0,0,0|1,0,0]=3 131 B5R0.3 CCC(C)CBr M10114990P [1,1,0,0,0,0|0,0,0]=2 132 B5R0.3 CCC(C)CS M10037434P [1,1,0,0,0,0|0,0,0]=2 133 B5R0.3 CCC(CBr)=O M10021171P [1,1,0,0,0,0|0,1,1]=4 134 B5R0.3 CCC(N)CC M10016218P [1,1,0,0,0,0|1,0,0]=3 135 B5R0.3 CCC(N)CO M10120213P [1,1,0,0,0,0|1,0,0]=3 136 B5R0.3 CCC(NC)=O M10028553P [1,1,0,0,0,0|0,1,1]=4 137 B5R0.3 CCC([Mg]Br)C M10023104P [1,1,0,0,0,0|1,0,0]=3 138 B5R0.3 CCC([Mg]Cl)C M12278734P [1,1,0,0,0,0|1,0,0]=3 139 B5R0.3 CC[Al](Cl)CC M10002450P [1,1,0,0,0,0|2,0,0]=4 140 B5R0.3 OC[C@@H](O)CN M12012902P [1,1,0,0,0,0|1,1,0]=4 141 B5R0.3 O[C@H](CCl)CN M10225134P [1,1,0,0,0,0|1,1,0]=4 142 B5R0.4 C#CC(C)(Cl)C M10026841P [1,1,0,0,0,0|0,0,2]=4 143 B5R0.4 CC(C)(C)C#N M10017095P [1,1,0,0,0,0|1,0,1]=4 144 B5R0.4 CC(C)(C)CBr M10017094P [1,1,0,0,0,0|1,0,0]=3 145 B5R0.4 CC(C)(C)CN M10080700P [1,1,0,0,0,0|1,0,0]=3 146 B5R0.4 CC(C)(Cl)CC M10015192P [1,1,0,0,0,0|0,0,0]=2 147 B5R0.4 CC(C)(N)C#N M10160495P [1,1,0,0,0,0|1,0,1]=4 148 B5R0.4 CC(C)(N=O)C M12050084P [1,1,0,0,0,0|1,1,0]=4 149 B5R0.4 CC(C)(O)C#N M10000924P [1,1,0,0,0,0|1,0,1]=4 150 B5R0.4 CC(C)(OO)C M10000929P [1,1,0,0,0,0|1,1,0]=4 151 B5R0.4 CC(C)([N+]#[C-])C M10102252P [1,1,0,0,0,0|1,0,1]=4 152 B5R0.4 CC(F)(F)CO M10220340P [1,1,0,0,0,0|1,1,0]=4 153 B5R0.4 CC(N)(C)CN M10021064P [1,1,0,0,0,0|1,0,0]=3 154 B5R0.4 CC(O)(C)CCl M10014133P [1,1,0,0,0,0|1,0,0]=3 155 B5R0.4 CC(O)(C)CN M10048342P [1,1,0,0,0,0|1,0,0]=3 156 B5R0.4 CC([Mg]Cl)(C)C M10018190P [1,1,0,0,0,0|2,0,0]=4 157 B5R0.4 CC([O-])(C)CC M10245286P [1,1,0,0,0,0|0,0,0]=2 158 B5R0.4 C[Si](C)(OC)C M10036789P [1,1,0,0,0,0|1,1,0]=4 159 B5R0.4 NC(C)(C)C#C M10049780P [1,1,0,0,0,0|0,0,2]=4 160 B5R0.4 NOC(C)(C)C M10240258P [1,1,0,0,0,0|2,0,0]=4 161 B5R0.4 ONC(C)(C)C M10144141P [1,1,0,0,0,0|1,1,0]=4 162 B5R0.4 ONC(C)(C)C M10295483P [1,1,0,0,0,0|1,1,0]=4 163 B5R0.4 ONC(C)(C)C M10846282P [1,1,0,0,0,0|1,1,0]=4 164 B5R0.4 [Li]C[Si](C)(C)C M10036728P [1,1,0,0,0,0|1,1,0]=4 165 B7R0.2 CC(CN(C)C)CCl M10191746P [0,1,0,0,0,1|2,0,0]=4 166 B7R0.2 CC(N)CC(C)CC M10003248P [0,1,0,0,0,1|1,0,0]=3 167 B7R0.2 O=C(NC(C)C)CBr M10460688P [0,1,0,0,0,1|0,1,1]=4 168 B7R0.2 O=C(NC(C)C)CN M10428027P [0,1,0,0,0,1|0,1,1]=4 169 B7R0.2 O=C(OC(C)C)CCl M10003254P [0,1,0,0,0,1|0,1,1]=4 170 B7R0.2 OCC(O)CN(C)C M10016656P [0,1,0,0,0,1|1,1,0]=4 171 B7R0.2 OCC(OC(C)C)=O M10016659P [0,1,0,0,0,1|0,1,1]=4 172 B7R0.9 C=C(C)CC(C)(C)C M10003431P [0,1,0,0,0,1|1,0,1]=4 173 B7R0.9 CC(C)=CC(C)(C)C M10003432P [0,1,0,0,0,1|1,0,1]=4 174 B7R0.9 CC(CC(C)(S)C)=O M10163133P [0,1,0,0,0,1|0,1,1]=4 175 B7R0.9 C[N+](C)(CC(O)C)C M10387811P [0,1,0,0,0,1|1,1,0]=4 176 B7R0.5 CC(C)C(OCCl)=O M10342363P [0,2,0,0,0,0|0,1,1]=4 177 B7R0.5 CC(S)C(OCC)=O M10162587P [0,2,0,0,0,0|1,0,1]=4 178 B7R0.10 CCC(C)C(C)C=O M10218111P [0,2,0,0,0,0|0,1,0]=3 179 B7R0.10 NCC(C)[C@@H](CO)N M10491820P [0,2,0,0,0,0|1,0,0]=3 180 B7R0.10 OC[C@@H](Br)[C@H](Br)CO M10038279P [0,2,0,0,0,0|2,0,0]=4 181 B7R0.13 CC(C)C(C)(N)C#N M10127141P [0,2,0,0,0,0|1,0,0]=3 182 B7R0.14 CC(C)(C)C(OC)=O M10015374P [0,2,0,0,0,0|0,1,1]=4 183 B7R0.15 CN(C)C(OC)OC M10064954P [0,2,0,0,0,0|1,1,0]=4 184 B5R1.2 BrC1COC1 M10239305P [1,0,0,1,0,0|1,1,0]=4 185 B5R1.2 ClC1CCC1 M10027170P [1,0,0,1,0,0|1,0,0]=3 186 B5R1.2 NC1CNC1 M10646351P [1,0,0,1,0,0|2,0,0]=4 187 B5R1.2 NC1CNC1 M10646354P [1,0,0,1,0,0|2,0,0]=4 188 B5R1.2 O=C1CSC1 M10173528P [1,0,0,1,0,0|1,0,1]=4 189 B5R1.2 OC1CNC1 M10251272P [1,0,0,1,0,0|1,1,0]=4 190 B5R1.3 Br[Mg]C1CC1 M10181403P [1,0,0,1,0,0|2,0,0]=4 191 B5R1.3 CC[C@H]1OC1 M10057431P [1,0,0,1,0,0|0,1,0]=3 192 B5R1.3 CNC1CC1 M10424936P [1,0,0,1,0,0|1,0,0]=3 193 B5R1.3 NNC1CC1 M10835729P [1,0,0,1,0,0|2,0,0]=4 194 B5R1.4 N[C@H]1[C@H](N)C1 M10052054P [1,0,0,1,0,0|2,0,0]=4 195 B5R1.5 NC1(C)CC1 M10177511P [1,0,0,1,0,0|1,0,0]=3 196 B7R1.2 CN1CC(Br)CC1 M10116614P [0,0,0,1,0,1|2,0,0]=4 197 B7R1.2 CN1C[C@H](O)CC1 M10655228P [0,0,0,1,0,1|1,1,0]=4 198 B7R1.2 OC1CC(N)CC1 M10107887P [0,0,0,1,0,1|1,1,0]=4 199 B7R1.2 OC1CC(N)CC1 M10126049P [0,0,0,1,0,1|1,1,0]=4 200 B7R1.2 O[C@@H]1C[C@H](N)CC1 M10095935P [0,0,0,1,0,1|1,1,0]=4 201 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127739P [0,0,0,1,0,1|1,1,0]=4 202 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127951P [0,0,0,1,0,1|1,1,0]=4 203 B7R1.4 O=C1C(C)CCC1 M10027182P [0,1,0,1,0,0|0,1,1]=4 204 B7R1.4 O[C@@H]1[C@@H](N)CCC1 M10430095P [0,1,0,1,0,0|1,1,0]=4 205 B7R1.4 O[C@@H]1[C@H](N)CCC1 M10841437P [0,1,0,1,0,0|1,1,0]=4 206 B7R1.4 O[C@H]1COC[C@@H]1O M10498718P [0,1,0,1,0,0|1,1,0]=4 207 B7R1.4 O[C@H]1[C@@H](N)CCC1 M10743008P [0,1,0,1,0,0|1,1,0]=4 208 B7R1.4 O[C@H]1[C@H](N)CCC1 M10215039P [0,1,0,1,0,0|1,1,0]=4 209 B7R1.4 O[C@H]1[C@H](N)CCC1 M10430096P [0,1,0,1,0,0|1,1,0]=4 210 B7R1.4 O[C@H]1[C@H](O)CCC1 M10192705P [0,1,0,1,0,0|1,1,0]=4 211 B7R1.23 N#CC1C(C)(C)C1 M10079621P [0,1,0,1,0,0|1,0,0]=3 212 B7R1.27 CC1(C#N)C(C)C1 M10785688P [0,1,0,1,0,0|1,0,0]=3 213 B7R2.1 C1(C2CO2)CO1 M10031201P [0,0,0,2,0,0|1,1,0]=4 214 B7R0.6 CC(O)C#CC(O)C M10050361P [0,0,0,0,0,2|1,1,0]=4