0 B10R1.13 C=C(C)C1=CC=C(C)C=C1 HMDB0029641 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 CC1=CC=C(C(C)C)C=C1 HMDB0005805 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HMDB0001392 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HMDB0000500 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.13 O=C(O)C1=CN=C(O)C=C1 HMDB0002658 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 HMDB0001232 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.1 O=CC1=CC=C(O)C=C1 HMDB0011718 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.6 NC(=O)C1=NC=CN=C1 HMDB0014483 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.6 O=C(O)C1=CC=CC=C1 HMDB0001870 [1,0,0,0,0,0|0,0,0]=1 12 B9R1.6 O=C(O)C1=CC=CC=N1 HMDB0002243 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.6 O=C(O)C1=CC=NC=C1 HMDB0060665 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.6 O=C(O)C1=CN=CC=C1 HMDB0001488 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.6 O=C(O)C1=CN=CC=N1 HMDB0059734 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 HMDB0002097 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.3 COC1=CC=C(C(=O)O)C=N1 HMDB0059749 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 HMDB0014404 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.19 NS(=O)(=O)C1=CC=C(Cl)C=C1 HMDB0061173 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.19 OC1=CC=C(C(F)(F)F)C=C1 HMDB0014023 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.21 CC1=CC(C(=O)O)=CC=C1O HMDB0004815 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.21 CN1C=C(C(N)=O)C=CC1=O HMDB0004193 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 HMDB0001856 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 HMDB0004825 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 HMDB0014378 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,1,0,0,0,0|0,0,0]=1 28 B9R0.7 C\C(=C/CC(=O)O)C(=O)O HMDB0002266 [0,0,1,0,0,0|1,0,2]=4 29 B9R1.35 CC1=CC=C(C(=O)O)O1 HMDB0059735 [0,0,0,0,1,0|2,0,0]=3 30 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 HMDB0060946 [0,0,0,0,0,1|1,0,1]=3 31 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 HMDB0001859 [0,0,0,0,0,1|1,0,0]=2 32 B11R1.20 CC(N)CC1=CC=C(O)C=C1 HMDB0060765 [0,0,0,0,0,1|2,0,1]=4 33 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 HMDB0000020 [0,0,0,0,0,1|0,0,0]=1 34 B8R0.28 O=C(O)\C=C\CC(=O)O HMDB0000620 [1,0,1,0,0,0|1,0,1]=4 35 B8R0.28 O=C(O)\C=C\CC(=O)O HMDB0061185 [1,0,1,0,0,0|1,0,1]=4 36 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [2,0,0,0,0,0|1,0,1]=4 38 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [2,0,0,0,0,0|0,0,1]=3 39 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [2,0,0,0,0,0|1,0,0]=3 40 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [2,0,0,0,0,0|0,0,1]=3 41 B8R1.3 OC1=CC=C(O)C=C1 HMDB0002434 [2,0,0,0,0,0|0,0,0]=2 42 B10R0.13 C=C(CC(=O)O)C(=C)C(=O)O HMDB0059731 [0,1,1,0,0,0|1,0,1]=4 43 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [1,1,0,0,0,0|0,0,1]=3 45 B10R1.176 O=CC1=CC=C(O)C(O)=C1 HMDB0059965 [1,1,0,0,0,0|0,0,0]=2 46 B10R1.15 C=C(C=O)C1=CC=CC=C1 HMDB0060671 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.15 CNC(=O)C1=CN=CC=C1 HMDB0003152 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.15 NNC(=O)C1=CC=NC=C1 HMDB0015086 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.61 CC1=C(C(=O)O)C=CC=C1 HMDB0002340 [1,1,0,0,0,0|0,0,0]=2 51 B10R1.61 NC(=O)C1=CC=CC=C1O HMDB0015687 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.61 NC1=CC=CC=C1C(=O)O HMDB0001123 [1,1,0,0,0,0|0,0,0]=2 53 B10R1.61 O=C(O)C1=C(O)C=CC=N1 HMDB0013188 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.61 O=C(O)C1=CC=CC=C1O HMDB0001895 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.61 O=C(O)C1=CC=CNC1=O HMDB0059710 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 HMDB0000875 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 HMDB0000699 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.113 NC1=CC=CC(C(=O)O)=C1 HMDB0001891 [1,1,0,0,0,0|0,0,0]=2 59 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 HMDB0001544 [1,1,0,0,0,0|0,0,0]=2 60 B10R1.113 O=C(O)C1=CC(O)=CC=C1 HMDB0002466 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.31 O=C(O)C1=CC=C(CO)O1 HMDB0002432 [0,1,0,0,1,0|1,0,0]=3 62 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 HMDB0002072 [0,1,0,0,0,1|0,0,0]=2 63 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,1,0,0,0,1|1,0,0]=3 64 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 HMDB0001336 [0,1,0,0,0,1|0,0,0]=2 65 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 HMDB0041683 [0,1,0,0,0,1|0,0,0]=2 66 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 HMDB0000822 [0,1,0,0,0,1|0,0,0]=2 67 B12R1.106 CC1=CC=C(OS(=O)(=O)O)C=C1 HMDB0011635 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.6 C=CC1=CC=C(S(=O)(=O)O)C=C1 HMDB0015435 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.48 COC1=CC=C(C(=O)O)C=C1O HMDB0060003 [0,2,0,0,0,0|0,0,0]=2 70 B12R1.256 O=C(O)C1=CC=C(C(=O)O)C=C1 HMDB0002428 [0,2,0,0,0,0|0,0,0]=2 71 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 HMDB0000484 [0,2,0,0,0,0|0,0,0]=2 72 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 HMDB0000216 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 HMDB0000318 [0,2,0,0,0,0|0,0,2]=4 74 B12R1.893 O=C(O)C1=C(O)C(O)=C(O)C=C1 HMDB0059964 [0,2,0,0,0,0|0,0,0]=2 75 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 HMDB0005807 [0,2,0,0,0,0|0,0,0]=2 76 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 HMDB0004826 [0,2,0,0,0,0|1,0,1]=4 77 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 HMDB0014500 [0,0,0,1,0,1|2,0,0]=4 78 B8R0.23 C\C(=C\C(=O)O)C(=O)O HMDB0000634 [0,0,1,0,1,0|1,0,1]=4 79 B8R1.7 O=C(O)C1=CC=CN1 HMDB0004230 [1,0,0,0,1,0|1,0,0]=3 80 B8R1.7 O=C(O)C1=CC=CO1 HMDB0000617 [1,0,0,0,1,0|1,0,0]=3 81 B8R1.7 O=C(O)C1=CNN=C1 HMDB0060760 [1,0,0,0,1,0|2,0,0]=4 82 B10R1.18 O=C(O)CC1=CC=CC=C1 HMDB0000209 [1,0,0,0,0,1|0,0,0]=2 83 B10R1.18 O=C(O)CC1=CC=CC=N1 HMDB0060722 [1,0,0,0,0,1|1,0,0]=3 84 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 HMDB0002199 [0,0,0,0,0,2|0,0,0]=2 85 B12R1.21 O=C(O)\C=C/C1=CC=C(O)C=C1 HMDB0030677 [0,0,0,0,0,2|0,0,0]=2 86 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HMDB0002035 [0,0,0,0,0,2|0,0,0]=2