0 B3R0.2 BC(=O)O R277436 [0,0,0,0,0,0|3,0,1]=4 1 B3R0.2 CC(=O)O R252506 [0,0,0,0,0,0|2,0,1]=3 2 B3R0.2 CC(=O)O R252999 [0,0,0,0,0,0|2,0,1]=3 3 B3R0.2 CC(C)N CDS000378 [0,0,0,0,0,0|0,0,0]=0 4 B3R0.2 CN(C)C S434639 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.2 CS(=O)[O-] S946621 [0,0,0,0,0,0|3,0,0]=3 6 B3R0.2 O=[N+]([O-])[O-] CDS001582 [0,0,0,0,0,0|4,0,0]=4 7 B2R0.1 Cl[Cu]Cl CDS007432 [1,0,0,0,0,0|3,0,0]=4 8 B4R0.1 C#CC(C)N CDS010388 [0,1,0,0,0,0|0,0,1]=2 9 B4R0.1 C=C(C)CN CDS003053 [0,1,0,0,0,0|0,0,2]=3 10 B4R0.1 CC(=O)CN CDS020585 [0,1,0,0,0,0|1,0,1]=3 11 B4R0.1 CC(C)NN CDS002505 [0,1,0,0,0,0|0,0,0]=1 12 B4R0.1 CC(C)NN CDS002842 [0,1,0,0,0,0|0,0,0]=1 13 B4R0.1 CCB(O)O CDS003542 [0,1,0,0,0,0|3,0,0]=4 14 B4R0.1 CCC(=N)N CBR01339 [0,1,0,0,0,0|1,0,1]=3 15 B4R0.1 CCC(=O)[O-] CDS000543 [0,1,0,0,0,0|2,0,1]=4 16 B4R0.1 CCC(=S)N CDS000328 [0,1,0,0,0,0|1,0,1]=3 17 B4R0.1 CNC(=O)Cl CDS009330 [0,1,0,0,0,0|2,0,1]=4 18 B4R0.1 CSC(=O)C CDS001513 [0,1,0,0,0,0|1,0,1]=3 19 B4R0.1 NCC(F)F CDS002768 [0,1,0,0,0,0|2,0,0]=3 20 B4R0.1 O=C(O)CS CDS000504 [0,1,0,0,0,0|2,0,1]=4 21 B4R0.1 O=C([O-])CO CDS000626 [0,1,0,0,0,0|2,0,1]=4 22 B4R0.3 C[N+](C)(C)C S433764 [0,1,0,0,0,0|2,0,0]=3 23 B4R0.3 C[N+](C)(C)C S933384 [0,1,0,0,0,0|2,0,0]=3 24 B4R0.3 C[SH+](C)(C)O S311383 [0,1,0,0,0,0|2,0,0]=3 25 B4R0.3 NS(=O)(=O)[O-] S828300 [0,1,0,0,0,0|3,0,0]=4 26 B3R0.1 C=CCN CDS000416 [1,1,0,0,0,0|0,0,1]=3 27 B3R0.1 CCCC S124796 [1,1,0,0,0,0|0,0,0]=2 28 B3R0.1 CCNC CDS013740 [1,1,0,0,0,0|0,0,0]=2 29 B3R0.1 CC[Hg]Cl S659541 [1,1,0,0,0,0|1,0,0]=3 30 B3R0.1 N#CCN R288616 [1,1,0,0,0,0|0,0,1]=3 31 B3R0.1 NCCN S573019 [1,1,0,0,0,0|0,0,0]=2 32 B3R0.1 [O-]CC[O-] R647071 [1,1,0,0,0,0|1,0,0]=3 33 B5R0.1 C(=O)CC(C)O CDS019977 [0,2,0,0,0,0|1,0,0]=3 34 B5R0.1 C(=O)NC(C)C S378380 [0,2,0,0,0,0|0,0,0]=2 35 B5R0.1 C=C(C)CSC S866024 [0,2,0,0,0,0|1,0,1]=4 36 B5R0.1 CC(=O)/C=C\N S312274 [0,2,0,0,0,0|1,0,1]=4 37 B5R0.1 CC(=O)CCN OTV000740 [0,2,0,0,0,0|1,0,1]=4 38 B5R0.1 CC(Br)CC#N CDS003547 [0,2,0,0,0,0|1,0,0]=3 39 B5R0.1 CC(C)C=NO S388378 [0,2,0,0,0,0|0,0,1]=3 40 B5R0.1 CC(C)CCCl S564524 [0,2,0,0,0,0|1,0,0]=3 41 B5R0.1 CC(O)CNN CBR01627 [0,2,0,0,0,0|1,0,0]=3 42 B5R0.1 CCNC(=N)N PH018983 [0,2,0,0,0,0|1,0,1]=4 43 B5R0.1 CCOC(=S)N PH003667 [0,2,0,0,0,0|1,0,1]=4 44 B5R0.1 CN(C)CCBr PH011840 [0,2,0,0,0,0|2,0,0]=4 45 B5R0.1 CN(C)CCO S573124 [0,2,0,0,0,0|2,0,0]=4 46 B5R0.1 CNCC(=O)C CBR02406 [0,2,0,0,0,0|1,0,1]=4 47 B5R0.1 CNCC(C)C CDS000422 [0,2,0,0,0,0|0,0,0]=2 48 B5R0.1 COCC(=N)N CBR01671 [0,2,0,0,0,0|1,0,1]=4 49 B5R0.1 COCC(=O)N S371874 [0,2,0,0,0,0|1,0,1]=4 50 B5R0.1 COC[C@@H](C)N CDS023796 [0,2,0,0,0,0|0,0,0]=2 51 B5R0.1 COC[C@H](C)N CDS001149 [0,2,0,0,0,0|0,0,0]=2 52 B5R0.1 CONC(=O)N S802999 [0,2,0,0,0,0|1,0,1]=4 53 B5R0.1 CSCC(=N)N OTV000870 [0,2,0,0,0,0|1,0,1]=4 54 B5R0.1 N=C(N)CCO PH014361 [0,2,0,0,0,0|1,0,1]=4 55 B5R0.1 NCCC(=O)N CDS000027 [0,2,0,0,0,0|1,0,1]=4 56 B5R0.3 C(=O)C(S)CO S612626 [0,2,0,0,0,0|1,0,1]=4 57 B5R0.3 C/C(=C\Br)/CO S881295 [0,2,0,0,0,0|1,0,1]=4 58 B5R0.3 C/C(=N\O)/CS R262161 [0,2,0,0,0,0|0,0,2]=4 59 B5R0.3 C=CC(C)C#N PH011344 [0,2,0,0,0,0|0,0,2]=4 60 B5R0.3 C=CC(O)CBr TMT00686 [0,2,0,0,0,0|1,0,1]=4 61 B5R0.3 CC(CN)CO CDS010871 [0,2,0,0,0,0|0,0,0]=2 62 B5R0.3 CCC(=O)CO R277614 [0,2,0,0,0,0|1,0,1]=4 63 B5R0.3 CCC(C)NN PH019109 [0,2,0,0,0,0|0,0,0]=2 64 B5R0.3 CCC(N)CC TMT00064 [0,2,0,0,0,0|0,0,0]=2 65 B5R0.3 CCC(O)CBr PH018186 [0,2,0,0,0,0|1,0,0]=3 66 B5R0.3 CCC(O)CN CDS000624 [0,2,0,0,0,0|1,0,0]=3 67 B5R0.3 CCN(O)CC S623067 [0,2,0,0,0,0|2,0,0]=4 68 B5R0.3 CC[Tl](Br)CC S837075 [0,2,0,0,0,0|2,0,0]=4 69 B5R0.3 CC[Tl](I)CC S837083 [0,2,0,0,0,0|2,0,0]=4 70 B5R0.3 CNC(=O)CCl OTV000964 [0,2,0,0,0,0|1,0,1]=4 71 B5R0.3 CNC(=O)NN CDS019843 [0,2,0,0,0,0|1,0,1]=4 72 B5R0.3 CSC(=S)NN PH008635 [0,2,0,0,0,0|1,0,1]=4 73 B5R0.3 N#CC(Cl)CCl PH011445 [0,2,0,0,0,0|1,0,1]=4 74 B5R0.3 NC(CBr)CBr R150371 [0,2,0,0,0,0|0,0,0]=2 75 B5R0.3 NCC(Br)CBr R151203 [0,2,0,0,0,0|1,0,0]=3 76 B5R0.3 NCC(CN)N S741841 [0,2,0,0,0,0|0,0,0]=2 77 B5R0.3 OC(CF)CBr CDS019708 [0,2,0,0,0,0|1,0,0]=3 78 B5R0.4 CC(C)(O)CN CDS007515 [0,2,0,0,0,0|0,0,0]=2 79 B5R0.5 C=C(C)C(=O)C CDS000556 [0,2,0,0,0,0|1,0,1]=4 80 B5R0.5 C=C(C)C(C)O T277479 [0,2,0,0,0,0|1,0,0]=3 81 B5R0.5 CC(=O)C(C)F CDS002853 [0,2,0,0,0,0|1,0,0]=3 82 B5R0.5 CC(=S)N(C)C S622877 [0,2,0,0,0,0|1,0,1]=4 83 B5R0.5 CC(C)C(=N)N CDS015019 [0,2,0,0,0,0|0,0,0]=2 84 B5R0.5 CC(C)C(=S)N PH006913 [0,2,0,0,0,0|0,0,0]=2 85 B5R0.5 CC(O)C(=O)[O-] S933260 [0,2,0,0,0,0|1,0,1]=4 86 B5R1.2 O=C1CSC1 SYX00053 [0,1,0,1,0,0|1,0,1]=4 87 B5R1.3 CNC1CC1 CDS021441 [0,1,0,1,0,0|0,0,0]=2 88 B5R1.4 CC1CC1N CDS012259 [0,1,0,1,0,0|0,0,0]=2