0 B10R1.3 CCC1=CC=C(C=O)C=C1 HMDB0032024 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.3 CCC1=CN=C(CC)C=N1 HMDB0036808 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.3 COC1=CC=C(C=O)C=C1 HMDB0029686 [0,0,0,0,0,0|0,0,2]=2 3 B10R1.3 COC1=CC=C(CO)C=C1 HMDB0034241 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.3 COC1=CC=C(OC)C=C1 HMDB0029671 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.3 OCC1=CC=C(C=C1)[N+]#N HMDB0032593 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [1,0,0,0,0,0|0,0,2]=3 7 B9R1.1 CC1=CC=C(CO)C=C1 HMDB0041609 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.1 CCC1=NC=C(C)C=C1 HMDB0040041 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.1 CCC1=NC=C(C)N=C1 HMDB0041568 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [1,0,0,0,0,0|0,0,0]=1 13 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [1,0,0,0,0,0|0,0,0]=1 15 B9R1.1 COC1=NC=C(C)N=C1 HMDB0040141 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.1 CSC1=NC=C(C)N=C1 HMDB0040060 [1,0,0,0,0,0|2,1,0]=4 17 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.3 CC(=C)C1=CC=C(C=O)C=C1 HMDB0035925 [0,1,0,0,0,0|1,0,2]=4 19 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [0,1,0,0,0,0|0,0,2]=3 21 B11R1.3 COC1=NC=C(N=C1)C(C)C HMDB0040052 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.83 CCCC1=CC=C(OC)C=C1 HMDB0032626 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.83 CCOC1=CC=C(C=O)C=C1 HMDB0033970 [0,1,0,0,0,0|0,0,2]=3 24 B11R1.83 COC1=CC=C(/C=C\C)C=C1 HMDB0030837 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.83 COC1=CC=C(CC=C)C=C1 HMDB0034121 [0,1,0,0,0,0|1,0,0]=2 26 B9R1.21 OCC1=CC=C(O1)C=O HMDB0034355 [0,0,0,0,1,0|3,0,0]=4 27 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [1,0,1,0,0,0|2,0,0]=4 28 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|1,0,1]=4 29 B8R1.2 C=CC1=CC=CC=C1 HMDB0034240 [2,0,0,0,0,0|1,0,1]=4 30 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [2,0,0,0,0,0|0,0,0]=2 32 B8R1.2 COC1=CN=CC=N1 HMDB0033156 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.2 CSC1=CC=CC=C1 HMDB0034448 [2,0,0,0,0,0|0,1,0]=3 34 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [2,0,0,0,0,0|1,0,0]=3 35 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|0,1,0]=3 36 B8R1.2 SCC1=CC=CC=N1 HMDB0041346 [2,0,0,0,0,0|1,1,0]=4 37 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [2,0,0,0,0,0|0,0,0]=2 38 B8R1.3 CC1=CN=C(C)C=N1 HMDB0035289 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [1,1,0,0,0,0|0,0,1]=3 41 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [1,1,0,0,0,0|0,0,0]=2 43 B10R1.1 CCOC1=NC=C(C)N=C1 HMDB0040142 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.1 OC1=CC=C(CC=C)C=C1 HMDB0034107 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.1 OC1=CC=C(SC#N)C=C1 HMDB0040578 [1,1,0,0,0,0|0,1,1]=4 47 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.13 CC(=O)C1=NC=C(C)C=C1 HMDB0040222 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.13 CC(O)C1=CC=C(C)C=C1 HMDB0034378 [1,1,0,0,0,0|0,0,0]=2 52 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [1,1,0,0,0,0|0,0,1]=3 53 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [1,1,0,0,0,0|0,0,2]=4 54 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [1,1,0,0,0,0|0,0,2]=4 55 B10R1.25 CCC1=C(O)C=C(C)C=C1 HMDB0038987 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,1,0,0,0,0|0,0,0]=2 57 B10R1.25 COC1=C(C)N=C(C)C=N1 HMDB0040911 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.176 CCC1=CC(O)=C(O)C=C1 HMDB0040174 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.176 CCC1=CC=C(O)C(C)=C1 HMDB0038984 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.176 OCC1=CC(=O)C(O)=CO1 HMDB0032923 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 HMDB0032639 [0,2,0,0,0,0|0,0,1]=3 62 B12R1.113 CC(C)C1=CC=C(CC=O)C=C1 HMDB0041493 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)=O HMDB0032025 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.256 CC(C)C1=CC=C(C=C1)C(O)=O HMDB0035268 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.452 CC(O)C1=COC(CO)=CC1=O HMDB0038761 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 HMDB0032891 [0,2,0,0,0,0|0,0,1]=3 67 B12R1.71 COC1=CC=C(/C=C/C=O)C=C1 HMDB0032611 [0,2,0,0,0,0|0,0,2]=4 68 B12R1.71 COC1=CC=C(/C=C/CO)C=C1 HMDB0032586 [0,2,0,0,0,0|0,0,0]=2 69 B12R1.71 COC1=CC=C(CN=C=S)C=C1 HMDB0032581 [0,2,0,0,0,0|0,1,0]=3 70 B12R1.71 COC1=CC=C(COC=O)C=C1 HMDB0034993 [0,2,0,0,0,0|0,0,0]=2 71 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 HMDB0040176 [0,2,0,0,0,0|1,0,0]=3 72 B12R1.78 COC1=C(OC)C=C(C=C)C=C1 HMDB0040359 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 HMDB0032138 [0,2,0,0,0,0|0,0,2]=4 74 B12R1.450 COC1=CC(=O)C(OC)=CC1=O HMDB0034335 [0,2,0,0,0,0|2,0,0]=4 75 B12R2.44 O=CC1=CC2=C(OCO2)C=C1 HMDB0032612 [0,1,0,1,0,0|0,0,2]=4 76 B8R1.1 CC1=CC=C(CS)O1 HMDB0039800 [1,0,0,0,1,0|1,1,0]=4 77 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.1 COC1=CN=C(C)S1 HMDB0037178 [1,0,0,0,1,0|2,0,0]=4 80 B8R1.1 CSC1=CC=C(C)O1 HMDB0041566 [1,0,0,0,1,0|1,1,0]=4 81 B8R1.1 CSC1=CC=C(C)S1 HMDB0040259 [1,0,0,0,1,0|1,1,0]=4 82 B10R1.172 COC1=CC(C=O)=CC=C1 HMDB0031459 [0,0,0,0,1,1|0,0,2]=4 83 B10R1.172 COC1=CC(OC)=CC=C1 HMDB0029672 [0,0,0,0,1,1|2,0,0]=4