0 B4R0.1 C=CC(=O)O M19691 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 C=CC(N)=O M20290 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.1 CC(=O)NO M14966 [0,0,0,0,0,0|4,0,0]=4 3 B4R0.1 CCC(=O)O M19664 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 CNC(=N)N M19576 [0,0,0,0,0,0|4,0,0]=4 5 B4R0.1 COC(N)=O M15223 [0,0,0,0,0,0|4,0,0]=4 6 B4R0.1 NC(=O)CI M23607 [0,0,0,0,0,0|2,1,1]=4 7 B4R0.1 NC(=O)NO M11135 [0,0,0,0,0,0|4,0,0]=4 8 B4R0.1 NCC(=O)O M18816 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 NCC(=O)[O-] M18043 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 NCC(=O)[O-] M18204 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 NCC(N)=O M12544 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 NN=C(N)N M13039 [0,0,0,0,0,0|4,0,0]=4 13 B4R0.1 NNC(N)=O M15050 [0,0,0,0,0,0|4,0,0]=4 14 B4R0.1 O=C(O)CO M20606 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 O=C([O-])CO M16838 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 O=C([O-])CS M22100 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 O=CC(=O)O M19632 [0,0,0,0,0,0|3,0,0]=3 18 B3R0.2 CC(=O)[O-] M21175 [1,0,0,0,0,0|2,0,1]=4 19 B3R0.2 CC(=O)[O-] M23441 [1,0,0,0,0,0|2,0,1]=4 20 B3R0.2 CC(=O)[S-] M27572 [1,0,0,0,0,0|2,0,1]=4 21 B3R0.2 CC(N)=O M20887 [1,0,0,0,0,0|2,0,1]=4 22 B3R0.2 CC(N)=S M28034 [1,0,0,0,0,0|2,0,1]=4 23 B3R0.2 Cl[Gd](Cl)Cl M23222 [1,0,0,0,0,0|1,0,0]=2 24 B3R0.2 Cl[La](Cl)Cl M27559 [1,0,0,0,0,0|1,0,0]=2 25 B3R0.2 Cl[La](Cl)Cl M28738 [1,0,0,0,0,0|1,0,0]=2 26 B3R0.2 N=C(N)N M14674 [1,0,0,0,0,0|3,0,0]=4 27 B3R0.2 NC(N)=O M15084 [1,0,0,0,0,0|3,0,0]=4 28 B3R0.2 NC(N)=S M19716 [1,0,0,0,0,0|3,0,0]=4 29 B3R0.2 O=C([O-])[O-] M18580 [1,0,0,0,0,0|3,0,0]=4 30 B3R0.2 O=C([O-])[O-] M21193 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 CC(C)=CCO M19629 [0,1,0,0,0,0|3,0,0]=4 32 B5R0.1 C\C=C\C(=O)O M19987 [0,1,0,0,0,0|3,0,0]=4 33 B5R0.4 OCC(Cl)(Cl)Cl M28141 [0,1,0,0,0,0|1,0,2]=4 34 B5R0.5 C=C(C)C(N)=O M29491 [0,1,0,0,0,0|3,0,0]=4 35 B5R0.5 CC(=O)C(=O)O M19559 [0,1,0,0,0,0|3,0,0]=4 36 B5R0.5 CC(=O)C(=O)[O-] M14821 [0,1,0,0,0,0|3,0,0]=4 37 B5R0.5 CC(=O)C(=O)[O-] M20910 [0,1,0,0,0,0|3,0,0]=4 38 B5R0.5 CC(=O)C(C)=O M19605 [0,1,0,0,0,0|3,0,0]=4 39 B5R0.5 NC(=O)C(=O)[O-] M22595 [0,1,0,0,0,0|3,0,0]=4 40 B5R0.5 O=C(O)C(=O)O M18023 [0,1,0,0,0,0|3,0,0]=4 41 B5R0.5 O=C(O)C(=O)O M19862 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.5 O=C([O-])C(Cl)Cl M18240 [0,1,0,0,0,0|1,0,1]=3 43 B2R0.1 Cl[Co]Cl M19444 [2,0,0,0,0,0|1,0,0]=3 44 B2R0.1 NC=O M19662 [2,0,0,0,0,0|2,0,0]=4 45 B2R0.1 O=CO M20283 [2,0,0,0,0,0|2,0,0]=4 46 B2R0.1 O=C[O-] M19984 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.3 [NH3+][Pt-2]([NH3+])(Cl)Cl M12235 [1,1,0,0,0,0|2,0,0]=4