0 B10R1.10 NCCC1=CC(O)=CC=C1 HMDB0004989 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.8 CCCC1=CC=CC=N1 HMDB0032497 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.157 CC1=CC(CC(O)=O)=CC=C1 HMDB0002222 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 HMDB0012219 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.192 NCCC1=CC(O)=C(O)C=C1 HMDB0000073 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.192 OC1=C(O)C=C(CC=O)C=C1 HMDB0003791 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.7 CN1C=NC(CCN)=C1 HMDB0000898 [0,0,0,0,1,0|3,0,0]=4 13 B9R1.33 CN1C=NC=C1CCN HMDB0001861 [0,0,0,0,1,0|3,0,0]=4 14 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [1,0,1,0,0,0|2,0,0]=4 15 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [1,0,1,0,0,0|1,0,1]=4 16 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|0,0,2]=4 17 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|1,0,0]=3 18 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [2,0,0,0,0,0|2,0,0]=4 19 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [2,0,0,0,0,0|1,0,1]=4 20 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|1,0,0]=3 21 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [2,0,0,0,0,0|2,0,0]=4 22 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [2,0,0,0,0,0|1,0,0]=3 23 B8R1.4 OC1=CC(O)=CC=C1 HMDB0032037 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.2 CCC1=C(O)C(=O)C=CO1 HMDB0031735 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.30 COC1=C(O)C=CC(C)=C1 HMDB0032136 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.30 COC1=CC(=O)C=CC1=O HMDB0032576 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.172 COC1=CC(C=O)=CC=C1 HMDB0031459 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.172 COC1=CC(OC)=CC=C1 HMDB0029672 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.176 NCC1=CC=C(O)C(O)=C1 HMDB0012153 [1,1,0,0,0,0|1,0,0]=3 30 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [1,1,0,0,0,0|0,0,0]=2 34 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [1,1,0,0,0,0|0,0,2]=4 35 B10R1.1 OC1=CC=C(CC=O)C=C1 HMDB0003767 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.4 CCCC1=CC=CC=C1C HMDB0032627 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.4 CCCC1=CC=CC=C1O HMDB0032624 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [1,1,0,0,0,0|0,0,1]=3 44 B10R1.15 NCC(O)C1=CC=CC=C1 HMDB0001065 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [1,1,0,0,0,0|0,0,1]=3 50 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 HMDB0000216 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 HMDB0000318 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.374 CCCCC1=C(O)C=CC(C)=C1 HMDB0032060 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 HMDB0032020 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 HMDB0041888 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.44 NCCC1=CC(O)=C(O)C(O)=C1 HMDB0004817 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 HMDB0001537 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.286 CCCC1=CC(OC)=C(O)C=C1 HMDB0032135 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.286 COC1=C(O)C=CC(CCN)=C1 HMDB0000022 [0,2,0,0,0,0|1,0,0]=3 60 B12R1.288 COC1=C(O)C=C(CCN)C=C1 HMDB0012162 [0,2,0,0,0,0|1,0,0]=3 61 B10R2.7 C1=CC=C2C(OCC2)=C1 HMDB0013815 [1,0,0,1,0,0|1,0,0]=3 62 B10R2.7 N1C=CC2=C1C=CC=C2 HMDB0000738 [1,0,0,1,0,0|0,0,2]=4 63 B12R2.100 OC1=C(O)C=C2NCCC2=C1 HMDB0012992 [0,1,0,1,0,0|1,0,0]=3 64 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [1,0,0,0,1,0|2,0,0]=4 65 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,0,1,0|2,0,0]=4 66 B8R1.8 NCCC1=CNC=N1 HMDB0000870 [1,0,0,0,1,0|2,0,0]=4