0 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 CCCNOCCC(=O)C S581321 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.7 CC(=O)NCCCCN CDS021099 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [1,0,0,0,0,0|1,0,0]=2 4 B8R0.7 CCCCCOC(=O)Cl CDS000346 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.7 CCCCOCC(=O)O CDS008145 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.7 CCCC[Hg]OC(=O)C S814512 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.7 CCCNCCC(=O)O OTV000481 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.4 CCCCCCCNC(=O)C R704377 [0,1,0,0,0,0|1,0,2]=4 9 B10R0.4 COCCOCCOC(=O)C S705659 [0,1,0,0,0,0|1,0,1]=3 10 B10R0.6 CCCOCC(C)OC(=O)C S84450 [0,1,0,0,0,0|1,0,1]=3 11 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [0,1,0,0,0,0|1,0,2]=4 12 B10R0.74 C(=O)/C(=C/C=C/CCCC)/C S881708 [0,1,0,0,0,0|1,0,2]=4 13 B10R0.74 CCCCCCCC(=O)CC S544043 [0,1,0,0,0,0|1,0,2]=4 14 B10R0.74 CCCCCCNC(=O)NC S892793 [0,1,0,0,0,0|1,0,2]=4 15 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,1,0,0,0,0|0,0,2]=3 16 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [0,0,0,1,0,0|1,0,2]=4 17 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [0,0,0,1,0,0|1,0,2]=4 18 B10R1.39 CCN1C=CC=C1C(=O)C CDS003863 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.61 NC(=O)[C@@H]1CC=CC[C@@H]1N BBO000351 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.61 N[C@H]1CC=CC[C@@H]1C(=O)O BBO000678 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O BBO000677 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.78 C=C1C=CC=CCCCC1 T211605 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.78 O=C1C=CC=CCCCC1 T211648 [0,0,0,1,0,0|1,0,1]=3 24 B7R0.1 CCCCCON=O CDS000385 [2,0,0,0,0,0|1,0,1]=4 25 B7R0.4 C=CCCOC(=O)C S510343 [2,0,0,0,0,0|0,0,2]=4 26 B7R0.4 CC(=O)NCCCO OTV000276 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.4 CC(=O)OCCCS S786683 [2,0,0,0,0,0|1,0,0]=3 28 B7R0.4 CC/C=C/CC(C)C R289604 [2,0,0,0,0,0|1,0,1]=4 29 B7R0.4 CCC/C=C/C(=O)C CDS001219 [2,0,0,0,0,0|0,0,0]=2 30 B7R0.4 CCC/C=C/C(=O)N PH008310 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.4 CCC/C=C/C(C)C R289590 [2,0,0,0,0,0|1,0,1]=4 32 B7R0.4 CCC/C=C/C(C)C S369713 [2,0,0,0,0,0|1,0,1]=4 33 B7R0.4 CCCCNC(=O)C CDS013581 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.4 CCO/C=C/C(=O)O CDS016341 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.4 CSCCOC(=O)C S375721 [2,0,0,0,0,0|1,0,0]=3 36 B9R0.1 COC(C)CCOC(=O)C CDS000509 [1,1,0,0,0,0|1,0,1]=4 37 B9R0.4 CC(=O)CC(=O)OCCCl PH003373 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.4 CCCCC(=O)CC(=O)C CDS001230 [1,1,0,0,0,0|0,0,1]=3 39 B9R0.4 CCCCC(=O)CC(=O)C S839590 [1,1,0,0,0,0|0,0,1]=3 40 B9R0.4 CCCNC(=O)CC(=O)C R466107 [1,1,0,0,0,0|1,0,0]=3 41 B9R0.4 CCCOC(=O)CC(=O)C CDS000562 [1,1,0,0,0,0|1,0,0]=3 42 B11R0.147 C(=O)CC/C(=C/COC(=O)C)/C S328812 [0,2,0,0,0,0|0,0,1]=3 43 B11R0.42 CCCCCCOC(=O)C(Cl)Cl PH008761 [0,2,0,0,0,0|0,0,2]=4 44 B11R0.148 C(=C/CCOC(=O)C)\CCCI T165999 [0,2,0,0,0,0|0,0,0]=2 45 B11R0.148 C(=O)CCCCCCOC(=O)C T168823 [0,2,0,0,0,0|0,0,2]=4 46 B11R0.176 CCCC(=O)OCCCC(=O)C R396044 [0,2,0,0,0,0|1,0,1]=4 47 B9R1.15 C(=O)C1CC=CCC1C S430153 [1,0,0,1,0,0|1,0,0]=3 48 B9R1.83 C(=C/C1CC1)\CCOC T183911 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.6 CC(=O)C1CCCCC1 PH000084 [1,0,0,1,0,0|0,0,2]=4 50 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [1,0,0,1,0,0|1,0,1]=4 51 B9R1.6 CC(O)C1C=CCCC1 T181412 [1,0,0,1,0,0|0,0,2]=4 52 B9R1.6 O=C(Cl)C1CC=CCC1 PH015122 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.7 CCCC1=CC=C(O1)C L159743 [1,0,0,1,0,0|0,0,2]=4 54 B9R1.7 CCCC1=NNC(=O)C1 PH011118 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.13 CC(=O)C=C1CCCC1 L170097 [1,0,0,1,0,0|0,0,2]=4 56 B9R1.13 CC(=O)CC1CCCC1 L162353 [1,0,0,1,0,0|0,0,2]=4 57 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [1,0,0,1,0,0|0,0,1]=3 58 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [0,1,0,1,0,0|0,0,2]=4 59 B11R1.91 CC(=O)OCC1CCCCO1 S364959 [0,1,0,1,0,0|0,0,2]=4 60 B11R1.101 O=C1CCC=CCCCCC1 S939781 [0,1,0,1,0,0|1,0,0]=3 61 B11R1.706 O=C(O)C1CCC=CCCC1 T179795 [0,1,0,1,0,0|2,0,0]=4 62 B11R1.742 CC(=O)OC1CCC=CCC1 T166618 [0,1,0,1,0,0|0,0,2]=4 63 B11R1.1121 CS(=O)(=O)N1CC=CCCC1 T274631 [0,1,0,1,0,0|2,0,0]=4 64 B11R1.20 CC(=O)OC1CCC(CC1)O S722197 [0,1,0,1,0,0|0,0,2]=4 65 B11R1.40 O=C(CBr)OC1CCCCC1 PH001483 [0,1,0,1,0,0|0,0,2]=4 66 B11R1.40 O=C(CCl)OC1CCCCC1 PH009865 [0,1,0,1,0,0|0,0,2]=4 67 B11R1.36 NC(C(=O)O)C1C=CCCC1 PH000749 [0,1,0,1,0,0|2,0,0]=4 68 B11R2.10 O=C1CC2CC=CC[C@@H]2O1 S330272 [0,0,0,2,0,0|0,0,2]=4 69 B11R2.200 CC12CC=CCC1C(=O)N2 T171824 [0,0,0,2,0,0|2,0,0]=4