0 B10R1.2 CCC1=C(O)C(=O)C=CO1 HMDB0031735 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.2 CCC1=C(O)C(O)=CC=C1 HMDB0040177 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.3 CC1=C(C)C(O)=CC=C1 HMDB0032148 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.3 CC1=C(O)C(=O)C=CO1 HMDB0030776 [1,0,0,0,0,0|0,0,0]=1 4 B9R1.3 CC1=CC=CC(C)=C1O HMDB0032150 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.3 CC1=CC=CC(C)=C1S HMDB0032019 [1,0,0,0,0,0|2,1,0]=4 6 B9R1.3 OC1=C(Br)C=CC=C1Br HMDB0032080 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.15 CCC1=C(C)N=CC=N1 HMDB0041254 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.15 CCC1=CC=CC=C1S HMDB0041361 [1,0,0,0,0,0|1,1,0]=3 9 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [1,0,0,0,0,0|2,1,0]=4 11 B9R1.15 CSC1=CC=CC=C1O HMDB0041281 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.15 OC1=CC=CC=C1C=O HMDB0034170 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 HMDB0029658 [0,1,0,0,0,0|1,0,2]=4 14 B11R1.267 CCC1=CC=CC(CC)=C1N HMDB0032782 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.267 COC1=CC=CC(OC)=C1O HMDB0034158 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.132 CCC1=C(O)C(=N)CC1 HMDB0039583 [0,0,0,0,1,0|1,0,2]=4 17 B9R1.132 CCC1=C(O)C(=O)CC1 HMDB0031223 [0,0,0,0,1,0|0,0,2]=3 18 B9R1.132 CCC1=C(O)C(=O)CO1 HMDB0031847 [0,0,0,0,1,0|0,0,1]=2 19 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [1,0,1,0,0,0|1,0,1]=4 20 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [1,0,1,0,0,0|1,0,1]=4 21 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [1,0,1,0,0,0|1,0,1]=4 22 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|2,0,0]=4 23 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [2,0,0,0,0,0|2,0,0]=4 24 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.2 CSC1=CC=CC=C1 HMDB0034448 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.2 SCC1=CC=CC=N1 HMDB0041346 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [2,0,0,0,0,0|1,1,0]=4 31 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.5 OC1=CC=COC1=O HMDB0032994 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.8 CCC1=CC(O)=CC(C)=C1 HMDB0038985 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.30 CCC1=C(O)C=CC(C)=C1 HMDB0038988 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.30 CCC1=CC(O)=CC=C1C HMDB0038986 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.30 COC1=CC(=O)C=CC1=O HMDB0032576 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.113 CC(C)C1=CC=CC(C)=C1 HMDB0037051 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.172 COC1=CC(C=O)=CC=C1 HMDB0031459 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.176 CCC1=CC(O)=C(O)C=C1 HMDB0040174 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.176 CCC1=CC=C(O)C(C)=C1 HMDB0038984 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.176 OCC1=CC(=O)C(O)=CO1 HMDB0032923 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 HMDB0032544 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.22 CC1=CC(O)=CC(C)=C1O HMDB0032137 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.119 CC1=C(C)C(O)=C(C)C=C1 HMDB0029667 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.119 CC1=C(O)C(=O)C(O)=CO1 HMDB0032988 [1,1,0,0,0,0|0,0,0]=2 46 B10R1.4 CCCC1=CC=CC=C1C HMDB0032627 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.4 CCCC1=CC=CC=C1O HMDB0032624 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.20 CCC1=C(OC)N=CC=N1 HMDB0040054 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.20 COC1=CC=CC=C1OC HMDB0032139 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.25 CCC1=C(O)C=C(C)C=C1 HMDB0038987 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.61 CC(C)C1=CC=CC=C1C HMDB0037050 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.256 CCC1=C(O)C(=O)CC1C HMDB0036176 [0,1,0,0,1,0|0,0,2]=4 55 B10R1.3 CCC1=CC=C(C=O)C=C1 HMDB0032024 [0,0,1,1,0,0|2,0,0]=4 56 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [1,0,0,0,1,0|2,0,0]=4 57 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,0,1,0|2,0,0]=4 58 B8R1.1 CCC1=NC(C)=CO1 HMDB0037837 [1,0,0,0,1,0|2,0,0]=4 59 B8R1.11 CCC1=C(C)N=CO1 HMDB0037863 [1,0,0,0,1,0|2,0,0]=4 60 B8R1.50 CC1=C(O)C(=O)CO1 HMDB0031859 [1,0,0,0,1,0|0,0,1]=3 61 B8R1.50 CC1=C(O)C(=O)CS1 HMDB0033548 [1,0,0,0,1,0|0,1,1]=4 62 B8R1.50 OC1=C(O)C(=O)C=C1 HMDB0039437 [1,0,0,0,1,0|1,0,0]=3