0 B4R0.1 CC(=O)C=O T19536 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 CC(=O)NO T1592 [0,0,0,0,0,0|4,0,0]=4 2 B4R0.1 CC(N)C=O T29820 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 CNC(N)=N T4904 [0,0,0,0,0,0|4,0,0]=4 4 B4R0.1 CNC([S-])=S T20178 [0,0,0,0,0,0|4,0,0]=4 5 B4R0.1 COC(C)=N T24458 [0,0,0,0,0,0|4,0,0]=4 6 B4R0.1 COC(N)=O T2151 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.1 CSC(N)=N T22419 [0,0,0,0,0,0|4,0,0]=4 8 B4R0.1 N(C(N)=N)C T21215 [0,0,0,0,0,0|4,0,0]=4 9 B4R0.1 NC(=O)CI T8897 [0,0,0,0,0,0|2,1,1]=4 10 B4R0.1 NC(=O)NO T0676 [0,0,0,0,0,0|4,0,0]=4 11 B4R0.1 NCC(N)=O T3127 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 NCC(O)=O T2O2728 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 NCC([O-])=O T4505 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 NCC([O-])=O T4512 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 NNC(N)=N T0358 [0,0,0,0,0,0|4,0,0]=4 16 B4R0.1 NNC(N)=N T34066 [0,0,0,0,0,0|4,0,0]=4 17 B4R0.1 NNC(N)=O T1732 [0,0,0,0,0,0|4,0,0]=4 18 B4R0.1 OC(=O)C=O T16356 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 OC(=O)C=O T4843 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 OCC(O)=O T5985 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 [O-]C(=O)CS T8530 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 [O-]CC([O-])=O T2410 [0,0,0,0,0,0|3,0,1]=4 23 B3R0.2 CC(N)=S T35367 [1,0,0,0,0,0|2,0,1]=4 24 B3R0.2 CC([O-])=O T23377 [1,0,0,0,0,0|2,0,1]=4 25 B3R0.2 CC([O-])=O T35375 [1,0,0,0,0,0|2,0,1]=4 26 B3R0.2 CC([O-])=O T8129 [1,0,0,0,0,0|2,0,1]=4 27 B3R0.2 CC([S-])=O T22402 [1,0,0,0,0,0|2,0,1]=4 28 B3R0.2 Cl[Gd](Cl)Cl T22795 [1,0,0,0,0,0|1,0,0]=2 29 B3R0.2 Cl[La](Cl)Cl T22353 [1,0,0,0,0,0|1,0,0]=2 30 B3R0.2 Cl[La](Cl)Cl T9524 [1,0,0,0,0,0|1,0,0]=2 31 B3R0.2 NC(N)=N T0415 [1,0,0,0,0,0|3,0,0]=4 32 B3R0.2 NC(N)=O T0738 [1,0,0,0,0,0|3,0,0]=4 33 B3R0.2 NC(N)=O T20188 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 C/C=C/C(O)=O T5301 [0,1,0,0,0,0|3,0,0]=4 35 B5R0.1 CC(C)=CCO T4747 [0,1,0,0,0,0|3,0,0]=4 36 B5R0.1 ClC(Cl)=CC=C T31434 [0,1,0,0,0,0|1,0,0]=2 37 B5R0.1 [O-]C(=O)/C=C\Cl T29626 [0,1,0,0,0,0|2,0,0]=3 38 B5R0.3 C=CC(=O)C=C T31538 [0,1,0,0,0,0|3,0,0]=4 39 B5R0.3 CC(CCl)CCl T31230 [0,1,0,0,0,0|1,0,2]=4 40 B5R0.4 OCC(Cl)(Cl)Cl T37709 [0,1,0,0,0,0|1,0,2]=4 41 B5R0.5 CC(=C)C(N)=O TN7113 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.5 CC(=O)C(O)=O T4804 [0,1,0,0,0,0|3,0,0]=4 43 B5R0.5 CC(=O)C([O-])=O T7717 [0,1,0,0,0,0|3,0,0]=4 44 B5R0.5 Cl[Cl](Cl)[Cl](Cl)Cl T23280 [0,1,0,0,0,0|2,0,0]=3 45 B5R0.5 NC(=O)C([O-])=O T19831 [0,1,0,0,0,0|3,0,0]=4 46 B5R0.5 OC(=O)C(Cl)Br T9288 [0,1,0,0,0,0|1,1,1]=4 47 B5R0.5 OC(=O)C(O)=O T2O2680 [0,1,0,0,0,0|3,0,0]=4 48 B5R0.5 OC(=O)C(O)=O T5064 [0,1,0,0,0,0|3,0,0]=4 49 B5R0.5 [O-]C(=O)C(Cl)Cl T3604 [0,1,0,0,0,0|1,0,1]=3 50 B2R0.1 Cl[Pt]Cl T1564 [2,0,0,0,0,0|1,0,0]=3 51 B2R0.1 NC=O T4767 [2,0,0,0,0,0|2,0,0]=4 52 B2R0.1 [O-]C=O T5300 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.7 CC(Cl)(Cl)C(O)=O T31194 [0,2,0,0,0,0|1,0,1]=4