0 B3R0.1 C=CCN CDS000416 [0,0,0,0,0,0|1,0,1]=2 1 B3R0.1 C=C[Hg]Cl S881899 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.1 CCCC S124796 [0,0,0,0,0,0|1,0,3]=4 3 B3R0.1 CCNC CDS013740 [0,0,0,0,0,0|2,0,2]=4 4 B3R0.1 CC[Hg]Cl S659541 [0,0,0,0,0,0|2,0,2]=4 5 B3R0.1 N#CCN R288616 [0,0,0,0,0,0|2,0,2]=4 6 B3R0.1 NCCN S573019 [0,0,0,0,0,0|2,0,2]=4 7 B3R0.1 [O-]CC[O-] R647071 [0,0,0,0,0,0|1,0,3]=4 8 B2R0.1 Cl[Cu]Cl CDS007432 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 C(=O)C(=O)[O-] S573140 [0,1,0,0,0,0|1,0,0]=2 10 B4R0.1 C=C(C)CN CDS003053 [0,1,0,0,0,0|1,0,1]=3 11 B4R0.1 CC(=O)CN CDS020585 [0,1,0,0,0,0|1,0,1]=3 12 B4R0.1 CCC(=N)N CBR01339 [0,1,0,0,0,0|1,0,2]=4 13 B4R0.1 CCC(=O)[O-] CDS000543 [0,1,0,0,0,0|0,0,2]=3 14 B4R0.1 CCC(=S)N CDS000328 [0,1,0,0,0,0|0,1,2]=4 15 B4R0.1 CNC(=O)Cl CDS009330 [0,1,0,0,0,0|1,0,1]=3 16 B4R0.1 CSC(=O)C CDS001513 [0,1,0,0,0,0|1,0,1]=3 17 B4R0.1 O=C(O)CS CDS000504 [0,1,0,0,0,0|1,0,1]=3 18 B4R0.1 O=C([O-])CO CDS000626 [0,1,0,0,0,0|1,0,1]=3 19 B4R0.1 O=S(O)O[TlH2] S826111 [0,1,0,0,0,0|3,0,0]=4 20 B4R0.2 C=CCCN CDS021978 [0,1,0,0,0,0|1,0,1]=3 21 B4R0.2 OC/C=C/Br S880973 [0,1,0,0,0,0|0,0,2]=3 22 B3R0.2 BC(=O)O R277436 [1,1,0,0,0,0|1,0,0]=3 23 B3R0.2 CC(=O)O R252506 [1,1,0,0,0,0|0,0,1]=3 24 B3R0.2 CC(=O)O R252999 [1,1,0,0,0,0|0,0,1]=3 25 B3R0.2 CS(=O)[O-] S946621 [1,1,0,0,0,0|1,0,1]=4 26 B3R0.2 O=[N+]([O-])[O-] CDS001582 [1,1,0,0,0,0|2,0,0]=4 27 B5R0.1 C(=O)CC(C)O CDS019977 [0,2,0,0,0,0|0,0,2]=4 28 B5R0.1 C(=O)NC(C)C S378380 [0,2,0,0,0,0|0,0,2]=4 29 B5R0.1 C=C(C)CSC S866024 [0,2,0,0,0,0|0,1,1]=4 30 B5R0.1 C=COC(=O)C S458201 [0,2,0,0,0,0|0,0,0]=2 31 B5R0.1 CC(=O)/C=C\N S312274 [0,2,0,0,0,0|0,0,0]=2 32 B5R0.1 CC(=O)CCN OTV000740 [0,2,0,0,0,0|0,0,2]=4 33 B5R0.1 CNCC(=O)C CBR02406 [0,2,0,0,0,0|0,0,2]=4 34 B5R0.1 COCC(=O)N S371874 [0,2,0,0,0,0|0,0,2]=4 35 B5R0.1 CONC(=O)N S802999 [0,2,0,0,0,0|1,0,1]=4 36 B5R0.1 NCCC(=O)N CDS000027 [0,2,0,0,0,0|0,0,2]=4 37 B5R0.1 O=C(O)/C=C/Cl R426903 [0,2,0,0,0,0|0,0,0]=2 38 B5R0.1 O=C(O)/C=C\I PH010791 [0,2,0,0,0,0|0,0,0]=2 39 B5R0.1 O=C(O)C[Hg]Cl S881910 [0,2,0,0,0,0|1,0,1]=4 40 B5R0.1 O=C([O-])/C=C\Cl T234753 [0,2,0,0,0,0|0,0,0]=2 41 B5R0.3 Br/C=C(\Br)/CBr S53202 [0,2,0,0,0,0|1,0,1]=4 42 B5R0.3 C(=O)C(S)CO S612626 [0,2,0,0,0,0|0,0,2]=4 43 B5R0.3 C/C(=C\Br)/CO S881295 [0,2,0,0,0,0|0,0,2]=4 44 B5R0.3 C=CC(C)C#N PH011344 [0,2,0,0,0,0|1,0,1]=4 45 B5R0.3 C=CC(O)CBr TMT00686 [0,2,0,0,0,0|0,0,2]=4 46 B5R0.3 CCC(=O)CO R277614 [0,2,0,0,0,0|0,0,2]=4 47 B5R0.3 CNC(=O)CCl OTV000964 [0,2,0,0,0,0|1,0,1]=4 48 B5R0.3 CNC(=O)NN CDS019843 [0,2,0,0,0,0|1,0,1]=4 49 B5R0.3 Cl/C=C(/Cl)\CCl PH008783 [0,2,0,0,0,0|1,0,1]=4 50 B5R0.5 C=C(C)C(=O)C CDS000556 [0,2,0,0,0,0|0,0,0]=2 51 B5R0.5 C=C(C)C(=O)[O-] S457930 [0,2,0,0,0,0|0,0,0]=2 52 B5R0.5 C=C(C)C(=O)[O-] S460389 [0,2,0,0,0,0|0,0,0]=2 53 B5R0.5 C=C(C)C(=O)[O-] S461806 [0,2,0,0,0,0|0,0,0]=2 54 B5R0.5 C=C(C)C(C)O T277479 [0,2,0,0,0,0|0,0,2]=4 55 B5R0.5 CC(=O)C(C)F CDS002853 [0,2,0,0,0,0|0,0,2]=4 56 B5R0.5 CC(O)C(=O)[O-] S933260 [0,2,0,0,0,0|0,0,2]=4 57 B5R0.5 O=C(O)C(=O)O S647829 [0,2,0,0,0,0|1,0,0]=3 58 B5R0.2 C(=O)CCC=C CDS000721 [0,2,0,0,0,0|0,0,0]=2 59 B5R0.2 C=C=CCCI T230871 [0,2,0,0,0,0|1,0,1]=4 60 B5R0.2 C=CCNCC PH014544 [0,2,0,0,0,0|1,0,1]=4 61 B5R0.2 C=CCSCC S620327 [0,2,0,0,0,0|0,1,1]=4 62 B5R0.2 C=CSCCO PH007226 [0,2,0,0,0,0|0,0,2]=4 63 B5R0.2 OC/C=C/CO PH000110 [0,2,0,0,0,0|0,0,2]=4 64 B5R1.2 O=C1CSC1 SYX00053 [0,1,0,1,0,0|0,0,2]=4 65 B5R1.1 C1=CCNC1 ANV00248 [0,1,0,1,0,0|1,0,1]=4