0 B6R1.1 C1=CN=CC=N1 HMDB0034176 [0,0,0,0,0,0|0,0,0]=0 1 B6R1.1 [C]1=CC=CC=C1 HMDB0031789 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.1 [C]1=CC=CC=C1 HMDB0031790 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.1 [C]1=CC=CC=C1 HMDB0031807 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 CC1=CC=CC=C1 HMDB0034168 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.3 CC1=CC=CCC1 HMDB0031532 [0,1,0,0,0,0|2,0,1]=4 6 B7R1.3 CC1=CCCC=C1 HMDB0032395 [0,1,0,0,0,0|2,0,1]=4 7 B7R1.3 CC1=CN=CC=N1 HMDB0033112 [0,1,0,0,0,0|0,0,0]=1 8 B7R1.3 O=C1CCC=CO1 HMDB0040145 [0,1,0,0,0,0|2,0,1]=4 9 B7R1.3 SC1=CC=CC=C1 HMDB0033746 [0,1,0,0,0,0|2,0,0]=3 10 B5R0.2 C=C/C=C\C=O HMDB0031597 [0,0,1,0,0,0|2,0,0]=3 11 B5R0.2 C=CCCC=O HMDB0032458 [0,0,1,0,0,0|2,0,1]=4 12 B5R1.1 C1CC=CS1 HMDB0033875 [0,0,0,0,1,0|1,0,2]=4 13 B5R1.1 N1C=CC=C1 HMDB0035924 [0,0,0,0,1,0|0,0,1]=2 14 B5R1.1 S1C=CC=C1 HMDB0029718 [0,0,0,0,1,0|1,0,0]=2 15 B5R1.1 S1C=CN=C1 HMDB0029713 [0,0,0,0,1,0|1,0,0]=2 16 B4R0.2 C/C=C\C=O HMDB0034233 [1,0,1,0,0,0|1,0,1]=4 17 B4R0.2 C=CSC=C HMDB0033922 [1,0,1,0,0,0|1,0,0]=3 18 B6R0.6 C/C=C/C=C\C=O HMDB0034729 [0,1,1,0,0,0|2,0,0]=4 19 B6R0.6 C/C=C/S/C=C/C HMDB0040234 [0,1,1,0,0,0|2,0,0]=4 20 B6R1.2 CC1=CC=CN1 HMDB0033114 [0,1,0,0,1,0|0,0,1]=3 21 B6R1.2 CC1=CC=CS1 HMDB0033118 [0,1,0,0,1,0|1,0,0]=3 22 B6R1.2 CC1=CN=CS1 HMDB0033117 [0,1,0,0,1,0|1,0,0]=3 23 B6R1.2 CC1=CSC=C1 HMDB0033119 [0,1,0,0,1,0|1,0,0]=3 24 B6R1.2 CC1=CSC=N1 HMDB0033116 [0,1,0,0,1,0|1,0,0]=3 25 B6R1.2 CN1C=CC=C1 HMDB0033113 [0,1,0,0,1,0|0,0,1]=3 26 B6R1.2 O=C1OCC=C1 HMDB0032330 [0,1,0,0,1,0|1,0,1]=4 27 B6R1.2 S=C1SSC=C1 HMDB0035702 [0,1,0,0,1,0|2,0,0]=4 28 B6R1.2 SC1=CC=CS1 HMDB0029720 [0,1,0,0,1,0|1,0,0]=3 29 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [0,2,0,0,0,0|2,0,0]=4 30 B8R1.2 C=CC1=CC=CC=C1 HMDB0034240 [0,2,0,0,0,0|2,0,0]=4 31 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [0,2,0,0,0,0|1,0,0]=3 32 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [0,2,0,0,0,0|0,0,0]=2 33 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [0,2,0,0,0,0|2,0,0]=4 34 B8R1.2 COC1=CN=CC=N1 HMDB0033156 [0,2,0,0,0,0|0,0,0]=2 35 B8R1.2 CSC1=CC=CC=C1 HMDB0034448 [0,2,0,0,0,0|2,0,0]=4 36 B8R1.2 CSC1=CN=CC=N1 HMDB0033152 [0,2,0,0,0,0|0,0,0]=2 37 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [0,2,0,0,0,0|2,0,0]=4 38 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [0,2,0,0,0,0|2,0,0]=4 39 B8R1.2 SCC1=CC=CC=N1 HMDB0041346 [0,2,0,0,0,0|1,0,0]=3 40 B8R1.2 SCC1=CN=CC=N1 HMDB0036186 [0,2,0,0,0,0|0,0,0]=2 41 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [0,2,0,0,0,0|2,0,0]=4 42 B8R1.3 CC1=CN=C(C)C=N1 HMDB0035289 [0,2,0,0,0,0|0,0,0]=2 43 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [0,2,0,0,0,0|1,0,0]=3 44 B8R1.4 CC1=CC=CC(C)=N1 HMDB0032972 [0,2,0,0,0,0|1,0,0]=3 45 B8R1.4 CC1=CN=CC(C)=N1 HMDB0035248 [0,2,0,0,0,0|0,0,0]=2 46 B8R1.4 OC1=CC(O)=CC=C1 HMDB0032037 [0,2,0,0,0,0|2,0,0]=4 47 B8R1.5 CC1=C(C)N=CC=N1 HMDB0032971 [0,2,0,0,0,0|0,0,0]=2 48 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [0,2,0,0,0,0|2,0,0]=4 49 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [0,2,0,0,0,0|2,0,0]=4 50 B8R1.5 OC1=CC=COC1=O HMDB0032994 [0,2,0,0,0,0|2,0,0]=4