0 B3R0.2 CC(=O)[O-] M21175 [0,0,0,0,0,0|3,0,0]=3 1 B3R0.2 CC(=O)[O-] M23441 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.2 CC(=O)[S-] M27572 [0,0,0,0,0,0|3,0,0]=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|3,0,0]=3 5 B3R0.2 CN(C)C M19642 [0,0,0,0,0,0|0,0,0]=0 6 B3R0.2 CS(C)=O M15586 [0,0,0,0,0,0|2,0,0]=2 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|4,0,0]=4 12 B3R0.2 NC(N)=S M19716 [0,0,0,0,0,0|4,0,0]=4 13 B3R0.2 O=C([O-])[O-] M18580 [0,0,0,0,0,0|4,0,0]=4 14 B3R0.2 O=C([O-])[O-] M21193 [0,0,0,0,0,0|4,0,0]=4 15 B3R0.2 O=[N+]([O-])[O-] M19468 [0,0,0,0,0,0|3,0,1]=4 16 B3R0.2 O[AlH3](O)O M23979 [0,0,0,0,0,0|4,0,0]=4 17 B2R0.1 CNC M20016 [1,0,0,0,0,0|0,0,0]=1 18 B2R0.1 CON M22875 [1,0,0,0,0,0|2,0,0]=3 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|3,0,0]=4 21 B2R0.1 NC=O M19662 [1,0,0,0,0,0|3,0,0]=4 22 B2R0.1 O=CO M20283 [1,0,0,0,0,0|3,0,0]=4 23 B2R0.1 O=C[O-] M19984 [1,0,0,0,0,0|3,0,0]=4 24 B2R0.1 O=N[O-] M19521 [1,0,0,0,0,0|2,0,1]=4 25 B2R0.1 O=[Si]=O M11290 [1,0,0,0,0,0|3,0,0]=4 26 B2R0.1 O=[Si]=O M18046 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.1 CC(=O)NO M14966 [0,1,0,0,0,0|3,0,0]=4 28 B4R0.1 CC(C)CO M20289 [0,1,0,0,0,0|1,0,0]=2 29 B4R0.1 CC(O)CO M20276 [0,1,0,0,0,0|2,0,0]=3 30 B4R0.1 CCC(=O)O M19664 [0,1,0,0,0,0|3,0,0]=4 31 B4R0.1 CNC(=N)N M19576 [0,1,0,0,0,0|3,0,0]=4 32 B4R0.1 COC(N)=O M15223 [0,1,0,0,0,0|3,0,0]=4 33 B4R0.1 NC(=O)CI M23607 [0,1,0,0,0,0|3,0,0]=4 34 B4R0.1 NCC(=O)O M18816 [0,1,0,0,0,0|3,0,0]=4 35 B4R0.1 NCC(=O)[O-] M18043 [0,1,0,0,0,0|3,0,0]=4 36 B4R0.1 NCC(=O)[O-] M18204 [0,1,0,0,0,0|3,0,0]=4 37 B4R0.1 NCC(N)=O M12544 [0,1,0,0,0,0|3,0,0]=4 38 B4R0.1 O=C(O)CO M20606 [0,1,0,0,0,0|3,0,0]=4 39 B4R0.1 O=C([O-])CO M16838 [0,1,0,0,0,0|3,0,0]=4 40 B4R0.1 O=C([O-])CS M22100 [0,1,0,0,0,0|3,0,0]=4 41 B4R0.3 CS(C)(=O)=O M24689 [0,1,0,0,0,0|2,0,0]=3 42 B4R0.3 C[N+](C)(C)[O-] M20029 [0,1,0,0,0,0|0,0,1]=2 43 B4R1.2 CC1CO1 M24927 [0,0,0,1,0,0|2,0,0]=3 44 B1R0.1 C#N M11868 [2,0,0,0,0,0|0,0,2]=4 45 B1R0.1 CN M20015 [2,0,0,0,0,0|0,0,0]=2 46 B1R0.1 NO M24781 [2,0,0,0,0,0|1,0,0]=3 47 B1R0.1 [*]N M13985 [2,0,0,0,0,0|1,0,0]=3 48 B1R0.1 [*]N M16014 [2,0,0,0,0,0|1,0,0]=3 49 B1R0.1 [*]N M16467 [2,0,0,0,0,0|1,0,0]=3 50 B1R0.1 [*]N M21596 [2,0,0,0,0,0|1,0,0]=3 51 B1R0.1 [*]N M21614 [2,0,0,0,0,0|1,0,0]=3 52 B1R0.1 [*]N M21618 [2,0,0,0,0,0|1,0,0]=3 53 B1R0.1 [*]N M22683 [2,0,0,0,0,0|1,0,0]=3 54 B1R0.1 [*]N M22701 [2,0,0,0,0,0|1,0,0]=3 55 B1R0.1 [*]N M25046 [2,0,0,0,0,0|1,0,0]=3 56 B1R0.1 [*]N M28038 [2,0,0,0,0,0|1,0,0]=3 57 B1R0.1 [*]N M28041 [2,0,0,0,0,0|1,0,0]=3 58 B1R0.1 [*]N M28042 [2,0,0,0,0,0|1,0,0]=3 59 B1R0.1 [*]N M28045 [2,0,0,0,0,0|1,0,0]=3 60 B1R0.1 [*]N M28050 [2,0,0,0,0,0|1,0,0]=3 61 B1R0.1 [*]N M28057 [2,0,0,0,0,0|1,0,0]=3 62 B1R0.1 [*]N M28061 [2,0,0,0,0,0|1,0,0]=3 63 B1R0.1 [*]N M28062 [2,0,0,0,0,0|1,0,0]=3 64 B1R0.1 [*]N M28064 [2,0,0,0,0,0|1,0,0]=3 65 B1R0.1 [*]N M28068 [2,0,0,0,0,0|1,0,0]=3 66 B1R0.1 [*]N M28072 [2,0,0,0,0,0|1,0,0]=3 67 B1R0.1 [*]N M28074 [2,0,0,0,0,0|1,0,0]=3 68 B1R0.1 [*]N M28077 [2,0,0,0,0,0|1,0,0]=3 69 B1R0.1 [*]N M28079 [2,0,0,0,0,0|1,0,0]=3 70 B1R0.1 [*]N M28082 [2,0,0,0,0,0|1,0,0]=3 71 B1R0.1 [*]N M28083 [2,0,0,0,0,0|1,0,0]=3 72 B1R0.1 [*]N M28096 [2,0,0,0,0,0|1,0,0]=3 73 B1R0.1 [*]N M28105 [2,0,0,0,0,0|1,0,0]=3 74 B1R0.1 [*]N M28108 [2,0,0,0,0,0|1,0,0]=3 75 B1R0.1 [*]N M28114 [2,0,0,0,0,0|1,0,0]=3 76 B1R0.1 [*]N M28136 [2,0,0,0,0,0|1,0,0]=3 77 B1R0.1 [*]N M28138 [2,0,0,0,0,0|1,0,0]=3 78 B1R0.1 [*]N M28143 [2,0,0,0,0,0|1,0,0]=3 79 B1R0.1 [*]N M28156 [2,0,0,0,0,0|1,0,0]=3 80 B1R0.1 [*]N M28157 [2,0,0,0,0,0|1,0,0]=3 81 B1R0.1 [*]N M28173 [2,0,0,0,0,0|1,0,0]=3 82 B1R0.1 [*]N M28176 [2,0,0,0,0,0|1,0,0]=3 83 B1R0.1 [C-]#N M17986 [2,0,0,0,0,0|0,0,2]=4 84 B1R0.1 [C-]#N M21846 [2,0,0,0,0,0|0,0,2]=4 85 B3R0.1 NCCO M19560 [1,1,0,0,0,0|2,0,0]=4 86 B3R0.1 NCCO M27552 [1,1,0,0,0,0|2,0,0]=4 87 B3R0.1 NCCS M12233 [1,1,0,0,0,0|2,0,0]=4 88 B3R0.1 NCCS M15246 [1,1,0,0,0,0|2,0,0]=4 89 B5R0.1 CC(C)=CCO M19629 [0,2,0,0,0,0|1,0,0]=3 90 B5R0.1 CC(C)\C=N\O M19919 [0,2,0,0,0,0|1,0,1]=4 91 B5R0.1 CONC(C)=S M11551 [0,2,0,0,0,0|2,0,0]=4 92 B5R0.1 C[C@H](O)CCO M23286 [0,2,0,0,0,0|2,0,0]=4 93 B5R0.3 CCC(C)C=O M19674 [0,2,0,0,0,0|1,0,1]=4 94 B5R0.3 CNC(=S)NC M28317 [0,2,0,0,0,0|2,0,0]=4 95 B5R0.3 OCC(O)CO M19631 [0,2,0,0,0,0|2,0,0]=4 96 B5R0.3 OCC(S)CS M15209 [0,2,0,0,0,0|2,0,0]=4 97 B5R0.4 CCC(C)(C)O M19505 [0,2,0,0,0,0|1,0,0]=3 98 B5R0.4 COS(C)(=O)=O M29006 [0,2,0,0,0,0|2,0,0]=4 99 B5R0.5 CC(=O)C(C)=O M19605 [0,2,0,0,0,0|2,0,0]=4 100 B5R0.5 CC(C)C(=O)O M19754 [0,2,0,0,0,0|1,0,1]=4 101 B5R0.5 CC(O)C(C)O M27050 [0,2,0,0,0,0|2,0,0]=4 102 B5R0.5 C[C@@H](O)[C@@H](C)O M19583 [0,2,0,0,0,0|2,0,0]=4 103 B5R1.3 ClCC1CO1 M12141 [0,1,0,1,0,0|2,0,0]=4 104 B5R1.3 ClCC1CO1 M19169 [0,1,0,1,0,0|2,0,0]=4 105 B5R1.3 N#CC1CC1 M14988 [0,1,0,1,0,0|1,0,1]=4