0 B3R0.2 CB(O)O SY001105 [0,0,0,0,0,0|2,0,1]=3 1 B3R0.2 CC(=O)O SY001386 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.2 CC(=O)O SY004125 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.2 CC(=O)[O-] SY001322 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.2 CC(=O)[O-] SY010327 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.2 CC(=O)[O-] SY011498 [0,0,0,0,0,0|2,0,0]=2 6 B3R0.2 CC(=O)[O-] SY011745 [0,0,0,0,0,0|2,0,0]=2 7 B3R0.2 CC(=O)[O-] SY011809 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.2 CC(=O)[O-] SY011846 [0,0,0,0,0,0|2,0,0]=2 9 B3R0.2 CC(=O)[O-] SY013501 [0,0,0,0,0,0|2,0,0]=2 10 B3R0.2 CC(=O)[O-] SY027391 [0,0,0,0,0,0|2,0,0]=2 11 B3R0.2 CC(=O)[O-] SY045651 [0,0,0,0,0,0|2,0,0]=2 12 B3R0.2 CC(=O)[O-] SY067119 [0,0,0,0,0,0|2,0,0]=2 13 B3R0.2 CC(=O)[O-] SY256925 [0,0,0,0,0,0|2,0,0]=2 14 B3R0.2 CC(=O)[O-] SY257453 [0,0,0,0,0,0|2,0,0]=2 15 B3R0.2 CC(C)N SY107348 [0,0,0,0,0,0|4,0,0]=4 16 B3R0.2 CN(C)C SY010907 [0,0,0,0,0,0|3,0,1]=4 17 B3R0.2 CS(=O)[O-] SY002584 [0,0,0,0,0,0|2,0,0]=2 18 B3R0.2 C[S+](C)C SY011509 [0,0,0,0,0,0|4,0,0]=4 19 B3R0.2 C[S+](C)C SY019516 [0,0,0,0,0,0|4,0,0]=4 20 B3R0.2 Cl[Bi](Cl)Cl SY010298 [0,0,0,0,0,0|4,0,0]=4 21 B3R0.2 Cl[Gd](Cl)Cl SY061124 [0,0,0,0,0,0|4,0,0]=4 22 B3R0.2 Cl[Ho](Cl)Cl SY061123 [0,0,0,0,0,0|4,0,0]=4 23 B3R0.2 Cl[Ir](Cl)Cl SY007840 [0,0,0,0,0,0|4,0,0]=4 24 B3R0.2 Cl[Nd](Cl)Cl SY061229 [0,0,0,0,0,0|4,0,0]=4 25 B3R0.2 Cl[Rh](Cl)Cl SY113105 [0,0,0,0,0,0|4,0,0]=4 26 B3R0.2 N=C(N)Cl SY009310 [0,0,0,0,0,0|4,0,0]=4 27 B3R0.2 N=C(N)N SY003172 [0,0,0,0,0,0|4,0,0]=4 28 B3R0.2 O=C([O-])[O-] SY001250 [0,0,0,0,0,0|1,0,1]=2 29 B3R0.2 O=C([O-])[O-] SY009169 [0,0,0,0,0,0|1,0,1]=2 30 B3R0.2 O=C([O-])[O-] SY011697 [0,0,0,0,0,0|1,0,1]=2 31 B3R0.2 O=C([O-])[O-] SY011713 [0,0,0,0,0,0|1,0,1]=2 32 B3R0.2 O=C([O-])[O-] SY011779 [0,0,0,0,0,0|1,0,1]=2 33 B3R0.2 O=C([O-])[O-] SY011799 [0,0,0,0,0,0|1,0,1]=2 34 B3R0.2 O=C([O-])[O-] SY011844 [0,0,0,0,0,0|1,0,1]=2 35 B3R0.2 O=C([O-])[O-] SY066643 [0,0,0,0,0,0|1,0,1]=2 36 B3R0.2 O=C([O-])[O-] SY076666 [0,0,0,0,0,0|1,0,1]=2 37 B3R0.2 O=C([O-])[O-] SY274515 [0,0,0,0,0,0|1,0,1]=2 38 B3R0.2 O=C([O-])[O-] SY288394 [0,0,0,0,0,0|1,0,1]=2 39 B3R0.2 O=[N+]([O-])[O-] SY061250 [0,0,0,0,0,0|0,0,1]=1 40 B3R0.2 O=[N+]([O-])[O-] SY061261 [0,0,0,0,0,0|0,0,1]=1 41 B3R0.2 O=[Ti]([O-])[O-] SY061132 [0,0,0,0,0,0|1,0,1]=2 42 B3R0.2 O=[Ti]([O-])[O-] SY284367 [0,0,0,0,0,0|1,0,1]=2 43 B3R0.2 O=[Ti]([O-])[O-] SY284368 [0,0,0,0,0,0|1,0,1]=2 44 B3R0.2 O=[V](=O)[O-] SY106462 [0,0,0,0,0,0|1,0,1]=2 45 B3R0.2 P(C)(C)=O SY009874 [0,0,0,0,0,0|2,1,0]=3 46 B3R0.2 P(C)(C)=O SY237149 [0,0,0,0,0,0|2,1,0]=3 47 B2R0.1 C=NO SY022552 [1,0,0,0,0,0|1,0,1]=3 48 B2R0.1 CC#N SY009905 [1,0,0,0,0,0|3,0,0]=4 49 B2R0.1 CNN SY114943 [1,0,0,0,0,0|2,0,1]=4 50 B2R0.1 CNO SY013476 [1,0,0,0,0,0|1,0,1]=3 51 B2R0.1 Cl[Pt]Cl SY011160 [1,0,0,0,0,0|3,0,0]=4 52 B2R0.1 Cl[Pt]Cl SY062001 [1,0,0,0,0,0|3,0,0]=4 53 B2R0.1 FCI SY274057 [1,0,0,0,0,0|3,0,0]=4 54 B2R0.1 I[Ca]I SY069679 [1,0,0,0,0,0|3,0,0]=4 55 B2R0.1 I[Co]I SY073177 [1,0,0,0,0,0|3,0,0]=4 56 B2R0.1 I[Pt]I SY296016 [1,0,0,0,0,0|3,0,0]=4 57 B2R0.1 N#C[O-] SY006099 [1,0,0,0,0,0|2,0,0]=3 58 B2R0.1 N=CN SY007749 [1,0,0,0,0,0|3,0,0]=4 59 B2R0.1 NCN SY106478 [1,0,0,0,0,0|3,0,0]=4 60 B2R0.1 O=C[O-] SY027875 [1,0,0,0,0,0|1,0,0]=2 61 B2R0.1 O=N[O-] SY010058 [1,0,0,0,0,0|0,0,1]=2 62 B2R0.1 O=[Ru]=O SY009293 [1,0,0,0,0,0|1,0,1]=3 63 B2R0.1 O=[Ru]=O SY010110 [1,0,0,0,0,0|1,0,1]=3 64 B2R0.1 O[Pd]O SY001180 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.1 C#CC(N)=O SY060790 [0,1,0,0,0,0|3,0,0]=4 66 B4R0.1 C=C(Br)CO SY043202 [0,1,0,0,0,0|3,0,0]=4 67 B4R0.1 CC(=O)CN SY018511 [0,1,0,0,0,0|3,0,0]=4 68 B4R0.1 CC(C)NO SY059927 [0,1,0,0,0,0|3,0,0]=4 69 B4R0.1 CC(C)ON SY019006 [0,1,0,0,0,0|3,0,0]=4 70 B4R0.1 CC(S)CO SY195125 [0,1,0,0,0,0|2,1,0]=4 71 B4R0.1 CCB(O)O SY004385 [0,1,0,0,0,0|2,0,1]=4 72 B4R0.1 CCC(N)=O SY048276 [0,1,0,0,0,0|3,0,0]=4 73 B4R0.1 CCS(=O)[O-] SY005659 [0,1,0,0,0,0|2,0,0]=3 74 B4R0.1 CNC(N)=O SY018863 [0,1,0,0,0,0|3,0,0]=4 75 B4R0.1 COC(=N)N SY021749 [0,1,0,0,0,0|3,0,0]=4 76 B4R0.1 COC(=N)N SY023512 [0,1,0,0,0,0|3,0,0]=4 77 B4R0.1 C[C@@H](Cl)CO SY240135 [0,1,0,0,0,0|3,0,0]=4 78 B4R0.1 C[C@@H](O)CN SY002691 [0,1,0,0,0,0|3,0,0]=4 79 B4R0.1 C[C@@H](O)CO SY003769 [0,1,0,0,0,0|2,0,1]=4 80 B4R0.1 C[C@H](O)CO SY003770 [0,1,0,0,0,0|2,0,1]=4 81 B4R0.1 C\C(Cl)=N\O SY307714 [0,1,0,0,0,0|3,0,0]=4 82 B4R0.1 C\C(N)=N\O SY011082 [0,1,0,0,0,0|3,0,0]=4 83 B4R0.1 NCC(N)=O SY003860 [0,1,0,0,0,0|3,0,0]=4 84 B4R0.1 NCC(N)=O SY104505 [0,1,0,0,0,0|3,0,0]=4 85 B4R0.1 O=C([O-])CI SY066613 [0,1,0,0,0,0|2,0,0]=3 86 B4R0.1 ON=C(Br)Br SY007120 [0,1,0,0,0,0|3,0,0]=4 87 B4R0.3 CS(=O)(=O)[O-] SY003606 [0,1,0,0,0,0|1,0,1]=3 88 B4R0.3 CS(C)(=N)=O SY037343 [0,1,0,0,0,0|3,0,0]=4 89 B4R0.3 CS(N)(=O)=O SY001366 [0,1,0,0,0,0|2,0,1]=4 90 B4R0.3 C[N+](C)(C)[O-] SY010773 [0,1,0,0,0,0|2,0,1]=4 91 B4R0.3 C[S+](C)(C)=O SY002188 [0,1,0,0,0,0|3,0,0]=4 92 B4R0.3 C[S+](C)(C)=O SY036350 [0,1,0,0,0,0|3,0,0]=4 93 B4R0.3 C[S+](C)(C)=O SY039178 [0,1,0,0,0,0|3,0,0]=4 94 B4R0.3 NS(=O)(=O)Cl SY006415 [0,1,0,0,0,0|2,0,1]=4 95 B4R0.3 NS(N)(=O)=O SY004124 [0,1,0,0,0,0|2,0,1]=4 96 B4R0.3 O=P([O-])(F)F SY251926 [0,1,0,0,0,0|1,1,0]=3 97 B4R0.3 O=P([O-])([O-])F SY061225 [0,1,0,0,0,0|0,1,1]=3 98 B4R0.3 O=P([O-])([O-])O SY010082 [0,1,0,0,0,0|0,1,0]=2 99 B4R0.3 O=P([O-])([O-])[O-] SY066671 [0,1,0,0,0,0|0,1,1]=3 100 B4R0.3 O=S(=O)([O-])[O-] SY009915 [0,1,0,0,0,0|1,0,1]=3 101 B4R0.3 O=S(=O)([O-])[O-] SY011700 [0,1,0,0,0,0|1,0,1]=3 102 B4R0.3 O=S(=O)([O-])[O-] SY011749 [0,1,0,0,0,0|1,0,1]=3 103 B4R0.3 O=S(=O)([O-])[O-] SY011800 [0,1,0,0,0,0|1,0,1]=3 104 B4R0.3 O=S(=O)([O-])[O-] SY011843 [0,1,0,0,0,0|1,0,1]=3 105 B4R0.3 O=[Cr](=O)([O-])[O-] SY061436 [0,1,0,0,0,0|1,0,1]=3 106 B4R1.2 O=C1CC1 SY037762 [0,0,0,1,0,0|3,0,0]=4 107 B4R1.2 OC1CC1 SY028267 [0,0,0,1,0,0|3,0,0]=4 108 B1R0.1 Br[Ag] SY059381 [2,0,0,0,0,0|2,0,0]=4 109 B1R0.1 CN SY236298 [2,0,0,0,0,0|1,0,1]=4 110 B1R0.1 [C-]#[O+] SY009926 [2,0,0,0,0,0|1,0,1]=4 111 B3R0.1 CCON SY009566 [1,1,0,0,0,0|2,0,0]=4 112 B3R0.1 CNOC SY001763 [1,1,0,0,0,0|1,0,1]=4 113 B3R0.1 COCBr SY029084 [1,1,0,0,0,0|2,0,0]=4 114 B3R0.1 N\C=N\O SY086195 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.1 C#CCC(=O)O SY040154 [0,2,0,0,0,0|2,0,0]=4 116 B5R0.1 CC(=O)CCO SY002849 [0,2,0,0,0,0|2,0,0]=4 117 B5R0.1 CC(=O)NCO SY047960 [0,2,0,0,0,0|2,0,0]=4 118 B5R0.1 CC(=O)OCBr SY051438 [0,2,0,0,0,0|2,0,0]=4 119 B5R0.1 CC(=O)\C=N/O SY112549 [0,2,0,0,0,0|2,0,0]=4 120 B5R0.1 CNCC(=O)O SY001630 [0,2,0,0,0,0|2,0,0]=4 121 B5R0.1 NCC[N+](=O)[O-] SY279282 [0,2,0,0,0,0|1,0,0]=3 122 B5R0.1 O=C(O)CCF SY008508 [0,2,0,0,0,0|2,0,0]=4 123 B5R0.1 O=C(O)CCO SY003982 [0,2,0,0,0,0|1,0,1]=4 124 B5R0.1 O=C(O)\C=C\Br SY026854 [0,2,0,0,0,0|2,0,0]=4 125 B5R0.1 O=[N+]([O-])CCO SY008757 [0,2,0,0,0,0|0,0,0]=2 126 B5R0.3 COC(=O)CN SY001589 [0,2,0,0,0,0|2,0,0]=4 127 B5R0.3 COC(=O)CO SY003097 [0,2,0,0,0,0|1,0,1]=4 128 B5R0.3 NNC(=O)CO SY059283 [0,2,0,0,0,0|2,0,0]=4 129 B5R0.3 O=C(CO)CO SY038299 [0,2,0,0,0,0|1,0,1]=4 130 B5R0.4 CCS(=O)(=O)O SY036762 [0,2,0,0,0,0|1,0,1]=4 131 B5R0.4 NCP(=O)(O)O SY011283 [0,2,0,0,0,0|0,1,1]=4 132 B5R0.4 O=S(=O)([O-])CBr SY294735 [0,2,0,0,0,0|1,0,1]=4 133 B5R0.5 C=C(F)C(=O)O SY021247 [0,2,0,0,0,0|2,0,0]=4 134 B5R0.5 CC(N)C(=O)O SY005245 [0,2,0,0,0,0|2,0,0]=4 135 B5R0.5 C[C@@H](Br)C(=O)O SY102226 [0,2,0,0,0,0|2,0,0]=4 136 B5R0.5 C[C@@H](N)C(=O)O SY002277 [0,2,0,0,0,0|2,0,0]=4 137 B5R0.5 C[C@@H](O)C(N)=O SY022608 [0,2,0,0,0,0|2,0,0]=4 138 B5R0.5 C[C@H](Cl)C(=O)O SY018972 [0,2,0,0,0,0|2,0,0]=4 139 B5R0.5 O=C(O)C(F)Br SY040308 [0,2,0,0,0,0|2,0,0]=4 140 B5R0.5 O=C(O)C(F)Cl SY275169 [0,2,0,0,0,0|2,0,0]=4 141 B5R0.5 O=C(O)[C@@H](F)Cl SY276751 [0,2,0,0,0,0|2,0,0]=4 142 B5R0.5 O=C(O)[C@H](F)Cl SY276752 [0,2,0,0,0,0|2,0,0]=4 143 B5R1.2 O=C1COC1 SY003915 [0,1,0,1,0,0|2,0,0]=4