0 B13R2.57 COC1=CC2=C(C=CC=C2)C=C1 HMDB0032861 [0,0,0,0,0,0|0,0,0]=0 1 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 HMDB0033115 [1,0,0,0,0,0|1,0,0]=2 2 B12R2.24 CC1=NC2=CC=CC=C2C=C1 HMDB0042004 [1,0,0,0,0,0|1,0,0]=2 3 B12R2.24 NC1=NC2=C(C=CC=C2)C=C1 HMDB0034175 [1,0,0,0,0,0|2,0,0]=3 4 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 HMDB0029689 [1,0,0,0,0,0|0,1,0]=2 5 B14R2.112 CCOC1=CC2=C(C=CC=C2)C=C1 HMDB0029688 [0,1,0,0,0,0|0,0,0]=1 6 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 HMDB0029758 [0,1,0,0,0,0|1,0,0]=2 7 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 HMDB0032412 [0,1,0,0,0,0|1,0,0]=2 8 B14R2.781 CC(=O)C1=CC2=CC=NC=C2C=N1 HMDB0037296 [0,1,0,0,0,0|3,0,0]=4 9 B14R2.1019 O=CC1=CC2=CC=CC=C2C(=O)O1 HMDB0030577 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.27 COC(=O)/C=C\C1=CC=CC=C1 HMDB0033833 [0,0,1,0,0,0|1,0,0]=2 11 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [0,0,1,0,0,0|1,0,2]=4 12 B12R1.71 COC1=CC=C(/C=C/C=O)C=C1 HMDB0032611 [0,0,1,0,0,0|1,0,0]=2 13 B12R1.71 COC1=CC=C(/C=C/CO)C=C1 HMDB0032586 [0,0,1,0,0,0|1,0,1]=3 14 B12R1.71 COC1=CC=C(COC=O)C=C1 HMDB0034993 [0,0,1,0,0,0|2,0,1]=4 15 B12R2.1 NCC1=CNC2=CC=CC=C12 HMDB0029740 [0,0,0,0,1,0|3,0,0]=4 16 B12R2.1 O=CC1=CNC2=C1C=CC=C2 HMDB0029737 [0,0,0,0,1,0|3,0,0]=4 17 B12R2.32 CCC1=NC2=CC=CC=C2S1 HMDB0040034 [0,0,0,0,1,0|3,0,0]=4 18 B12R2.32 O=CC1=CC2=CC=CC=C2O1 HMDB0033183 [0,0,0,0,1,0|3,0,0]=4 19 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [1,0,1,0,0,0|1,0,0]=3 20 B11R1.91 CC(O)/C=C\C1=CC=CC=C1 HMDB0031616 [1,0,1,0,0,0|0,0,2]=4 21 B11R1.1 CC1=CC=C(/C=C/C=O)C=C1 HMDB0029640 [1,0,1,0,0,0|1,0,0]=3 22 B11R1.1 OC1=CC=C(/C=C/C=O)C=C1 HMDB0040986 [1,0,1,0,0,0|1,0,0]=3 23 B11R1.83 COC1=CC=C(/C=C\C)C=C1 HMDB0030837 [1,0,1,0,0,0|0,0,1]=3 24 B11R1.83 COC1=CC=C(CC=C)C=C1 HMDB0034121 [1,0,1,0,0,0|0,0,1]=3 25 B11R1.40 C/C(C=O)=C/C1=CC=CC=C1 HMDB0031566 [1,0,1,0,0,0|1,0,0]=3 26 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [1,0,1,0,0,0|1,0,1]=4 27 B11R1.17 OC1=CC=CC=C1/C=C/C=O HMDB0031725 [1,0,1,0,0,0|1,0,1]=4 28 B11R2.20 C1=CC2=CC=CC=C2C=C1 HMDB0029751 [2,0,0,0,0,0|0,0,0]=2 29 B11R2.20 C1=CC=C2C=NC=CC2=C1 HMDB0034244 [2,0,0,0,0,0|1,0,0]=3 30 B11R2.20 C1=CC=C2N=CC=CC2=C1 HMDB0033731 [2,0,0,0,0,0|1,0,0]=3 31 B13R1.42 CCOC(=O)/C=C\C1=CC=CC=C1 HMDB0033834 [0,1,1,0,0,0|1,0,0]=3 32 B13R1.3 COC1=CC=C(/C=C/N(=O)=O)C=C1 HMDB0032595 [0,1,1,0,0,0|2,0,0]=4 33 B13R1.5 COC1=CC=C(/C=C(\C)C=O)C=C1 HMDB0037145 [0,1,1,0,0,0|1,0,0]=3 34 B13R1.1249 COC1=CC(OC)=C(CC=C)C=C1 HMDB0040356 [0,1,1,0,0,0|1,0,1]=4 35 B13R1.79 CSC/C(C=O)=C/C1=CC=CC=C1 HMDB0037166 [0,1,1,0,0,0|1,1,0]=4 36 B13R2.155 OC1=CC2=C(C=C1)C=CC(=O)O2 HMDB0029865 [1,1,0,0,0,0|1,0,0]=3 37 B13R2.3683 CC1=CC2=C(OC(=O)C=C2)C=C1 HMDB0032394 [1,1,0,0,0,0|1,0,0]=3 38 B13R2.1 CNCC1=CNC2=CC=CC=C12 HMDB0038456 [0,1,0,0,1,0|2,0,0]=4 39 B13R2.2121 COC1=CC=C2NC(=O)OC2=C1 HMDB0036582 [0,1,0,0,1,0|2,0,0]=4 40 B15R2.4774 COC1=C(O)C2=C(C=CC(=O)O2)C=C1 HMDB0030692 [0,2,0,0,0,0|1,0,0]=3 41 B15R2.1824 COC1=CC2=C(C=CC(=O)O2)C=C1C HMDB0032991 [0,2,0,0,0,0|1,0,0]=3 42 B15R2.1754 COC1=C(O)C=C2OC(=O)C=CC2=C1 HMDB0034344 [0,2,0,0,0,0|1,0,0]=3 43 B11R1.25 COC(=O)/C=C/C1=CC=CO1 HMDB0032399 [0,0,1,0,1,0|2,0,0]=4 44 B11R1.12 C/C=C(/C=O)C1=CC=CC=C1 HMDB0031619 [0,0,1,0,1,0|2,0,0]=4 45 B11R1.222 COC(=O)C1=CC=CC=C1N HMDB0029703 [0,0,1,0,1,0|2,0,0]=4 46 B11R1.222 COC(=O)C1=CC=CC=C1O HMDB0034172 [0,0,1,0,1,0|2,0,0]=4 47 B11R2.10 CC1=NC2=CC=CC=C2O1 HMDB0032390 [1,0,0,0,1,0|2,0,0]=4 48 B11R2.10 CC1=NC2=CC=CC=C2S1 HMDB0033001 [1,0,0,0,1,0|2,0,0]=4