0 B3R0.2 CC(=O)[O-] M21175 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.2 CC(=O)[O-] M23441 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.2 CC(=O)[S-] M27572 [0,0,0,0,0,0|2,1,0]=3 3 B3R0.2 CC(N)=O M20887 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.2 CC(N)=S M28034 [0,0,0,0,0,0|3,1,0]=4 5 B3R0.2 CN(C)C M19642 [0,0,0,0,0,0|3,0,1]=4 6 B3R0.2 CS(C)=O M15586 [0,0,0,0,0,0|3,0,0]=3 7 B3R0.2 Cl[Gd](Cl)Cl M23222 [0,0,0,0,0,0|4,0,0]=4 8 B3R0.2 Cl[La](Cl)Cl M27559 [0,0,0,0,0,0|4,0,0]=4 9 B3R0.2 Cl[La](Cl)Cl M28738 [0,0,0,0,0,0|4,0,0]=4 10 B3R0.2 N=C(N)N M14674 [0,0,0,0,0,0|4,0,0]=4 11 B3R0.2 NC(N)=O M15084 [0,0,0,0,0,0|3,0,0]=3 12 B3R0.2 NC(N)=S M19716 [0,0,0,0,0,0|3,1,0]=4 13 B3R0.2 O=C([O-])[O-] M18580 [0,0,0,0,0,0|1,0,1]=2 14 B3R0.2 O=C([O-])[O-] M21193 [0,0,0,0,0,0|1,0,1]=2 15 B3R0.2 O=[N+]([O-])[O-] M19468 [0,0,0,0,0,0|0,0,1]=1 16 B3R0.2 O[AlH3](O)O M23979 [0,0,0,0,0,0|1,0,2]=3 17 B2R0.1 CNC M20016 [1,0,0,0,0,0|2,0,1]=4 18 B2R0.1 CON M22875 [1,0,0,0,0,0|3,0,0]=4 19 B2R0.1 Cl[Co]Cl M19444 [1,0,0,0,0,0|3,0,0]=4 20 B2R0.1 N#C[S-] M21391 [1,0,0,0,0,0|2,1,0]=4 21 B2R0.1 NC=O M19662 [1,0,0,0,0,0|2,0,0]=3 22 B2R0.1 O=CO M20283 [1,0,0,0,0,0|1,0,0]=2 23 B2R0.1 O=C[O-] M19984 [1,0,0,0,0,0|1,0,0]=2 24 B2R0.1 O=N[O-] M19521 [1,0,0,0,0,0|0,0,1]=2 25 B2R0.1 O=[Si]=O M11290 [1,0,0,0,0,0|1,0,1]=3 26 B2R0.1 O=[Si]=O M18046 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 C=CC(=O)O M19691 [0,1,0,0,0,0|2,0,0]=3 28 B4R0.1 C=CC(N)=O M20290 [0,1,0,0,0,0|3,0,0]=4 29 B4R0.1 CC(=O)NO M14966 [0,1,0,0,0,0|2,0,0]=3 30 B4R0.1 CC(C)CO M20289 [0,1,0,0,0,0|3,0,0]=4 31 B4R0.1 CC(O)CO M20276 [0,1,0,0,0,0|2,0,1]=4 32 B4R0.1 CCC(=O)O M19664 [0,1,0,0,0,0|2,0,0]=3 33 B4R0.1 COC(N)=O M15223 [0,1,0,0,0,0|2,0,0]=3 34 B4R0.1 NC(=O)CI M23607 [0,1,0,0,0,0|3,0,0]=4 35 B4R0.1 NC(=O)NO M11135 [0,1,0,0,0,0|2,0,0]=3 36 B4R0.1 NCC(=O)O M18816 [0,1,0,0,0,0|2,0,0]=3 37 B4R0.1 NCC(=O)[O-] M18043 [0,1,0,0,0,0|2,0,0]=3 38 B4R0.1 NCC(=O)[O-] M18204 [0,1,0,0,0,0|2,0,0]=3 39 B4R0.1 NCC(N)=O M12544 [0,1,0,0,0,0|3,0,0]=4 40 B4R0.1 NNC(N)=O M15050 [0,1,0,0,0,0|3,0,0]=4 41 B4R0.1 O=C(O)CO M20606 [0,1,0,0,0,0|1,0,1]=3 42 B4R0.1 O=C([O-])CO M16838 [0,1,0,0,0,0|1,0,0]=2 43 B4R0.1 O=C([O-])CS M22100 [0,1,0,0,0,0|1,1,0]=3 44 B4R0.1 O=CC(=O)O M19632 [0,1,0,0,0,0|1,0,1]=3 45 B4R0.3 CS(C)(=O)=O M24689 [0,1,0,0,0,0|2,0,1]=4 46 B4R0.3 C[N+](C)(C)[O-] M20029 [0,1,0,0,0,0|2,0,1]=4 47 B4R0.3 O=P([O-])(O)O M27688 [0,1,0,0,0,0|0,1,0]=2 48 B4R0.3 O=P([O-])([O-])F M10085 [0,1,0,0,0,0|0,1,1]=3 49 B4R0.3 O=P([O-])([O-])O M21197 [0,1,0,0,0,0|0,1,0]=2 50 B4R0.3 O=S(=O)(O)O M25051 [0,1,0,0,0,0|1,0,1]=3 51 B4R0.3 O=S(=O)([O-])[O-] M24754 [0,1,0,0,0,0|1,0,1]=3 52 B4R0.3 O=[Mo](=O)([O-])[O-] M20054 [0,1,0,0,0,0|1,0,1]=3 53 B4R0.3 O=[V-3](=O)(=O)=O M11533 [0,1,0,0,0,0|1,0,2]=4 54 B4R1.2 CC1CO1 M24927 [0,0,0,1,0,0|3,0,0]=4 55 B1R0.1 C#N M11868 [2,0,0,0,0,0|1,0,1]=4 56 B1R0.1 CN M20015 [2,0,0,0,0,0|1,0,1]=4 57 B1R0.1 NO M24781 [2,0,0,0,0,0|0,0,1]=3 58 B1R0.1 [*]N M13985 [2,0,0,0,0,0|1,0,1]=4 59 B1R0.1 [*]N M16014 [2,0,0,0,0,0|1,0,1]=4 60 B1R0.1 [*]N M16467 [2,0,0,0,0,0|1,0,1]=4 61 B1R0.1 [*]N M21596 [2,0,0,0,0,0|1,0,1]=4 62 B1R0.1 [*]N M21614 [2,0,0,0,0,0|1,0,1]=4 63 B1R0.1 [*]N M21618 [2,0,0,0,0,0|1,0,1]=4 64 B1R0.1 [*]N M22683 [2,0,0,0,0,0|1,0,1]=4 65 B1R0.1 [*]N M22701 [2,0,0,0,0,0|1,0,1]=4 66 B1R0.1 [*]N M25046 [2,0,0,0,0,0|1,0,1]=4 67 B1R0.1 [*]N M28038 [2,0,0,0,0,0|1,0,1]=4 68 B1R0.1 [*]N M28041 [2,0,0,0,0,0|1,0,1]=4 69 B1R0.1 [*]N M28042 [2,0,0,0,0,0|1,0,1]=4 70 B1R0.1 [*]N M28045 [2,0,0,0,0,0|1,0,1]=4 71 B1R0.1 [*]N M28050 [2,0,0,0,0,0|1,0,1]=4 72 B1R0.1 [*]N M28057 [2,0,0,0,0,0|1,0,1]=4 73 B1R0.1 [*]N M28061 [2,0,0,0,0,0|1,0,1]=4 74 B1R0.1 [*]N M28062 [2,0,0,0,0,0|1,0,1]=4 75 B1R0.1 [*]N M28064 [2,0,0,0,0,0|1,0,1]=4 76 B1R0.1 [*]N M28068 [2,0,0,0,0,0|1,0,1]=4 77 B1R0.1 [*]N M28072 [2,0,0,0,0,0|1,0,1]=4 78 B1R0.1 [*]N M28074 [2,0,0,0,0,0|1,0,1]=4 79 B1R0.1 [*]N M28077 [2,0,0,0,0,0|1,0,1]=4 80 B1R0.1 [*]N M28079 [2,0,0,0,0,0|1,0,1]=4 81 B1R0.1 [*]N M28082 [2,0,0,0,0,0|1,0,1]=4 82 B1R0.1 [*]N M28083 [2,0,0,0,0,0|1,0,1]=4 83 B1R0.1 [*]N M28096 [2,0,0,0,0,0|1,0,1]=4 84 B1R0.1 [*]N M28105 [2,0,0,0,0,0|1,0,1]=4 85 B1R0.1 [*]N M28108 [2,0,0,0,0,0|1,0,1]=4 86 B1R0.1 [*]N M28114 [2,0,0,0,0,0|1,0,1]=4 87 B1R0.1 [*]N M28136 [2,0,0,0,0,0|1,0,1]=4 88 B1R0.1 [*]N M28138 [2,0,0,0,0,0|1,0,1]=4 89 B1R0.1 [*]N M28143 [2,0,0,0,0,0|1,0,1]=4 90 B1R0.1 [*]N M28156 [2,0,0,0,0,0|1,0,1]=4 91 B1R0.1 [*]N M28157 [2,0,0,0,0,0|1,0,1]=4 92 B1R0.1 [*]N M28173 [2,0,0,0,0,0|1,0,1]=4 93 B1R0.1 [*]N M28176 [2,0,0,0,0,0|1,0,1]=4 94 B1R0.1 [C-]#N M17986 [2,0,0,0,0,0|1,0,1]=4 95 B1R0.1 [C-]#N M21846 [2,0,0,0,0,0|1,0,1]=4 96 B3R0.1 NCCO M19560 [1,1,0,0,0,0|2,0,0]=4 97 B3R0.1 NCCO M27552 [1,1,0,0,0,0|2,0,0]=4 98 B5R0.1 CCCC(=O)O M19749 [0,2,0,0,0,0|2,0,0]=4 99 B5R0.1 CCCC(=O)[O-] M12232 [0,2,0,0,0,0|2,0,0]=4 100 B5R0.1 CCOC(N)=O M14805 [0,2,0,0,0,0|2,0,0]=4 101 B5R0.1 CNCC(=O)O M17800 [0,2,0,0,0,0|2,0,0]=4 102 B5R0.1 C\C=C\C(=O)O M19987 [0,2,0,0,0,0|2,0,0]=4 103 B5R0.1 NCCC(=O)O M10320 [0,2,0,0,0,0|2,0,0]=4 104 B5R0.1 NCCS(=O)O M20061 [0,2,0,0,0,0|2,0,0]=4 105 B5R0.1 NOCC(=O)O M20571 [0,2,0,0,0,0|1,0,1]=4 106 B5R0.3 O=C(O[Na])O[Na] M27578 [0,2,0,0,0,0|1,0,1]=4 107 B5R0.3 O=CC(O)CO M19681 [0,2,0,0,0,0|1,0,1]=4 108 B5R0.4 COS(=O)(=O)O M15380 [0,2,0,0,0,0|1,0,1]=4 109 B5R0.4 COS(C)(=O)=O M29006 [0,2,0,0,0,0|1,0,1]=4 110 B5R0.5 CC(=O)C(=O)O M19559 [0,2,0,0,0,0|1,0,1]=4 111 B5R0.5 CC(=O)C(=O)[O-] M14821 [0,2,0,0,0,0|1,0,1]=4 112 B5R0.5 CC(=O)C(=O)[O-] M20910 [0,2,0,0,0,0|1,0,1]=4 113 B5R0.5 CC(C)C(=O)O M19754 [0,2,0,0,0,0|2,0,0]=4 114 B5R0.5 CC(N)C(=O)O M18817 [0,2,0,0,0,0|2,0,0]=4 115 B5R0.5 CC(O)C(=O)[O-] M28339 [0,2,0,0,0,0|1,0,0]=3 116 B5R0.5 C[C@@H](N)C(=O)O M19597 [0,2,0,0,0,0|2,0,0]=4 117 B5R0.5 C[C@@H](O)C(=O)O M23238 [0,2,0,0,0,0|1,0,1]=4 118 B5R0.5 C[C@@H](O)C(=O)[O-] M20065 [0,2,0,0,0,0|1,0,0]=3 119 B5R0.5 C[C@H](O)C(=O)O M19665 [0,2,0,0,0,0|1,0,1]=4 120 B5R0.5 C[C@H](O)C(=O)[O-] M19197 [0,2,0,0,0,0|1,0,0]=3 121 B5R0.5 NC(=O)C(=O)[O-] M22595 [0,2,0,0,0,0|1,0,1]=4 122 B5R0.5 O=C(O)C(=O)O M18023 [0,2,0,0,0,0|1,0,1]=4 123 B5R0.5 O=C(O)C(=O)O M19862 [0,2,0,0,0,0|1,0,1]=4 124 B5R0.5 O=C([O-])C(Cl)Cl M18240 [0,2,0,0,0,0|2,0,0]=4