0 B10R1.4 CCCC1=C(C)N=CC=N1 HMDB0041252 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.4 CCCC1=CC=CC=C1C HMDB0032627 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.4 CCCC1=CC=CC=C1O HMDB0032624 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.8 CCCC1=CC=CC=N1 HMDB0032497 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 CCCC1=CN=CC=N1 HMDB0041571 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 CSSC1=CC=CC=C1 HMDB0040939 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.8 N#CCC1=CC=CC=C1 HMDB0034171 [1,0,0,0,0,0|0,0,2]=3 9 B9R1.8 OCCC1=CC=CC=C1 HMDB0033944 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 SCCC1=CN=CC=N1 HMDB0037169 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.15 CCC1=C(C)N=CC=N1 HMDB0041254 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 CCC1=CC=CC=C1S HMDB0041361 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.15 CSC1=CC=CC=C1O HMDB0041281 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.15 OC1=CC=CC=C1C=O HMDB0034170 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.17 CCOCC1=CC=CC=C1O HMDB0040449 [0,1,0,0,0,0|2,0,0]=3 20 B9R0.45 CC/C=C\C=C/C=C\C=O HMDB0032441 [0,0,1,0,0,0|2,0,1]=4 21 B9R0.45 CCCC/C=C/C=C\C=O HMDB0031685 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [1,0,1,0,0,0|1,0,1]=4 23 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|0,0,2]=4 24 B8R1.2 C=CC1=CC=CC=C1 HMDB0034240 [2,0,0,0,0,0|0,0,2]=4 25 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|1,0,0]=3 26 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [2,0,0,0,0,0|1,0,0]=3 28 B8R1.2 CSC1=CC=CC=C1 HMDB0034448 [2,0,0,0,0,0|1,0,0]=3 29 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [2,0,0,0,0,0|0,0,0]=2 30 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.2 SCC1=CC=CC=N1 HMDB0041346 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [2,0,0,0,0,0|1,1,0]=4 34 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [1,1,0,0,0,0|0,0,2]=4 38 B10R1.1 OC1=CC=C(CC=C)C=C1 HMDB0034107 [1,1,0,0,0,0|1,0,1]=4 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 OC(C#N)C1=CC=CC=C1 HMDB0034666 [1,1,0,0,0,0|0,0,2]=4 45 B10R1.17 CCCCC1=CN=CC=C1 HMDB0032934 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.17 CSSCC1=CC=CC=C1 HMDB0040590 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.17 N#CCCC1=CC=CC=C1 HMDB0034236 [1,1,0,0,0,0|0,0,1]=3 50 B10R1.17 N#CSCC1=CC=CC=C1 HMDB0034273 [1,1,0,0,0,0|0,0,2]=4 51 B10R1.17 O=CCCC1=CC=CC=C1 HMDB0033716 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.17 O=COCC1=CC=CC=C1 HMDB0041485 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.17 OCCCC1=CC=CC=C1 HMDB0033962 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.17 OCCOC1=CC=CC=C1 HMDB0041607 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.17 S=C=NCC1=CC=CC=C1 HMDB0033969 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.18 CC(C)CC1=CC=CC=N1 HMDB0037291 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.18 CC(C)CC1=CN=CC=C1 HMDB0037287 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.2 CCC1=C(O)C(=O)C=CO1 HMDB0031735 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.2 CCC1=C(O)C(O)=CC=C1 HMDB0040177 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.20 COC1=CC=CC=C1C=C HMDB0036441 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.20 COC1=CC=CC=C1C=O HMDB0033766 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.20 COC1=CC=CC=C1OC HMDB0032139 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.25 CCC1=C(O)C=C(C)C=C1 HMDB0038987 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.30 CCC1=C(O)C=CC(C)=C1 HMDB0038988 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.30 CCC1=CC(O)=CC=C1C HMDB0038986 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.30 COC1=C(O)C=CC(C)=C1 HMDB0032136 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.30 COC1=CC(=O)C=CC1=O HMDB0032576 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.61 CC(C)C1=CC=CC=C1C HMDB0037050 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.61 NC(=O)C1=CC=CC=C1N HMDB0033947 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.125 OC(=O)CCC1=CC=CC=C1O HMDB0033752 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.371 CC(CC1=CC=CC=C1C)C=O HMDB0040245 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.374 CCCCC1=C(O)C=CC(C)=C1 HMDB0032060 [0,2,0,0,0,0|2,0,0]=4 79 B10R1.21 CCC/C=C/C1=CC=CO1 HMDB0039782 [0,0,1,1,0,0|2,0,0]=4 80 B12R2.24 O=C1CCC2=CC=CC=C2O1 HMDB0036626 [0,1,0,1,0,0|2,0,0]=4 81 B12R2.1 NCC1=CNC2=CC=CC=C12 HMDB0029740 [0,1,0,1,0,0|1,0,1]=4 82 B8R1.8 CCCC1=CC=CO1 HMDB0040277 [1,0,0,0,1,0|2,0,0]=4 83 B8R1.8 CCCC1=CC=CS1 HMDB0033160 [1,0,0,0,1,0|2,0,0]=4