0 B9R1.23 CC1=C(SC(=N1)C=O)C D194862 [0,0,0,0,0,0|1,0,3]=4 1 B9R1.23 CCC1=NC(=C(S1)Br)C B187221 [0,0,0,0,0,0|1,0,2]=3 2 B8R1.1 CCC1=NC(=CS1)C E124072 [1,0,0,0,0,0|0,0,2]=3 3 B8R1.1 CCC1=NC=C(N1)C E104846 [1,0,0,0,0,0|1,0,2]=4 4 B8R1.1 CCC1CCC(=O)O1 C111339 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.18 CC1=C(SC(=N1)C)C T161779 [1,0,0,0,0,0|0,0,2]=3 6 B8R1.18 CC1=C(SC(=N1)N)C A122571 [1,0,0,0,0,0|1,0,2]=4 7 B8R1.18 CC1=C(SC(=N1)N)C A151214 [1,0,0,0,0,0|1,0,2]=4 8 B8R1.18 CC1=CC(=C(S1)C)C T162829 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.8 CCCCC(=O)C(C)C M158862 [0,0,1,0,0,0|3,0,0]=4 10 B8R0.8 CCCCC(C)C(=O)O M158388 [0,0,1,0,0,0|3,0,0]=4 11 B8R0.8 CCCCC(C)C(=O)O M424064 [0,0,1,0,0,0|3,0,0]=4 12 B8R0.8 CCCCC(C)C(C)C D155224 [0,0,1,0,0,0|2,0,1]=4 13 B8R0.8 CCCOC(=O)C(C)C P133971 [0,0,1,0,0,0|3,0,0]=4 14 B8R0.8 CCCOC(=O)C(C)O P160122 [0,0,1,0,0,0|2,1,0]=4 15 B8R0.19 CCC(C)CC(=O)CC M158857 [0,0,1,0,0,0|3,0,0]=4 16 B8R0.19 CCC(C)NC(C)CC D108054 [0,0,1,0,0,0|1,0,2]=4 17 B8R0.19 CCC(C)OC(C)CC B113704 [0,0,1,0,0,0|1,1,1]=4 18 B8R0.22 CCC(OCC)OCC P160796 [0,0,1,0,0,0|1,1,1]=4 19 B8R0.22 CCCC(CC)CCC E156246 [0,0,1,0,0,0|2,0,1]=4 20 B10R1.176 CCC1=CN=C(C(=N1)C)C E156377 [0,0,0,0,0,1|1,0,2]=4 21 B7R0.3 CCCCC(=C)CC E156236 [1,0,1,0,0,0|1,0,1]=4 22 B7R0.3 CCCCC(=O)CC H103766 [1,0,1,0,0,0|2,0,0]=4 23 B7R0.3 CCCCC(C)CC M113650 [1,0,1,0,0,0|1,0,1]=4 24 B7R0.3 CCCNC(C)CC N158968 [1,0,1,0,0,0|0,0,2]=4 25 B7R0.3 CCCOC(=O)CC P111531 [1,0,1,0,0,0|2,0,0]=4 26 B7R0.3 CCCOC(=O)CC P111532 [1,0,1,0,0,0|2,0,0]=4 27 B7R0.4 CCCCCC(=C)C M158504 [1,0,1,0,0,0|2,0,0]=4 28 B7R0.4 CCCCCC(=O)C H103803 [1,0,1,0,0,0|2,0,0]=4 29 B7R0.4 CCCCCC(=O)C H103827 [1,0,1,0,0,0|2,0,0]=4 30 B7R0.5 CCCC(C)C(=O)C M158798 [1,0,1,0,0,0|1,0,0]=3 31 B7R0.5 CCCC(C)C(=O)O B300596 [1,0,1,0,0,0|2,0,0]=4 32 B7R0.5 CCCC(C)C(=O)O M117868 [1,0,1,0,0,0|2,0,0]=4 33 B7R0.5 CCCC(C)C(=O)O M427193 [1,0,1,0,0,0|2,0,0]=4 34 B7R0.5 CCCC(C)C(C)C D155209 [1,0,1,0,0,0|1,0,1]=4 35 B7R0.5 CCOC(=O)C(C)S E156189 [1,0,1,0,0,0|2,0,0]=4 36 B7R0.5 CCSC(C)C(=O)O E168418 [1,0,1,0,0,0|2,0,0]=4 37 B7R0.2 CCC(C)CC(C)C D155187 [1,0,1,0,0,0|2,0,0]=4 38 B7R1.2 CC1=CSC(=N1)C D119299 [2,0,0,0,0,0|0,0,2]=4 39 B7R1.4 CC1=C(SC=N1)C D119298 [2,0,0,0,0,0|0,0,2]=4 40 B7R1.4 CC1C(=O)CCS1 M102985 [2,0,0,0,0,0|2,0,0]=4 41 B9R0.17 CCOC(C=CC)OCC T349700 [0,1,1,0,0,0|1,1,0]=4 42 B9R1.35 CC1=CSC(=N1)C(C)C I102627 [1,1,0,0,0,0|0,0,2]=4 43 B11R1.80 CC1C(=NC(S1)CC(C)C)C D102931 [0,2,0,0,0,0|0,0,0]=2 44 B9R1.6 CC(=O)C1CCCCC1 C139296 [0,0,1,1,0,0|2,0,0]=4 45 B9R1.69 CC1CCC(C(=O)C1)C D154367 [0,0,1,1,0,0|2,0,0]=4 46 B7R0.10 CCC(C(=O)CC)O P121219 [0,0,1,0,1,0|1,1,0]=4 47 B7R0.10 CCC(C(C)CO)S M404750 [0,0,1,0,1,0|1,0,1]=4 48 B9R0.24 CCC(C)SSC(C)CC B133932 [0,0,1,0,0,1|1,0,1]=4