0 B11R0.81 C=CCSC(=S)OCCCCC PH008775 [0,0,0,0,0,0|1,2,0]=3 1 B11R0.81 O=C(CCCCCO)NCCO PH009131 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.1 CCCCCOC(=O)CC#N S549703 [1,0,0,0,0,0|2,0,1]=4 3 B10R0.1 CCCNCCC(=O)OCC OTV000022 [1,0,0,0,0,0|1,0,1]=3 4 B10R0.71 C=CCC/C=C\CCCCO S310573 [1,0,0,0,0,0|2,0,1]=4 5 B10R0.91 C=CCNC(=O)NCCCC S607363 [1,0,0,0,0,0|2,0,0]=3 6 B10R0.91 CCCCNC(=O)OCCI PH005343 [1,0,0,0,0,0|2,0,1]=4 7 B12R0.47 CCCCOCC(=O)OCCCC S540676 [0,1,0,0,0,0|1,0,2]=4 8 B12R1.30 C=CCCC(=O)C1SCCCS1 T280526 [0,0,0,1,0,0|3,0,0]=4 9 B12R1.30 O=C(NCCO)C1CCCCC1 R677264 [0,0,0,1,0,0|2,0,1]=4 10 B12R1.567 CCCCCN1C(=O)CCC1=O PH011424 [0,0,0,1,0,0|3,0,0]=4 11 B9R0.5 C=CCC(O)CCCCC S417475 [2,0,0,0,0,0|0,0,2]=4 12 B9R0.5 CCCCCC(=O)CCC S411825 [2,0,0,0,0,0|0,0,2]=4 13 B9R0.5 CCCCNC(=O)OCC S406988 [2,0,0,0,0,0|1,0,1]=4 14 B9R0.5 CCOC(=O)CCCCI S677175 [2,0,0,0,0,0|1,0,1]=4 15 B9R0.5 CCOC(=O)CCCCN CDS023812 [2,0,0,0,0,0|1,0,1]=4 16 B9R0.45 CCCCCCOCC#N S240370 [2,0,0,0,0,0|1,0,1]=4 17 B9R0.46 CCCCC#CC(=O)OC PH000094 [2,0,0,0,0,0|0,0,2]=4 18 B9R0.46 CCCCCNC(=O)CCl S627690 [2,0,0,0,0,0|2,0,0]=4 19 B9R0.46 COC(=O)CCCCCBr S125334 [2,0,0,0,0,0|1,0,0]=3 20 B9R0.18 [NH2+](CC)CC(=O)OCC=C R240648 [2,0,0,0,0,0|1,0,0]=3 21 B11R0.2 CC(C)OC(=O)CCCCCCl S362891 [1,1,0,0,0,0|1,0,1]=4 22 B11R0.2 CCCCCCC(=O)CC(C)C S350567 [1,1,0,0,0,0|0,0,2]=4 23 B11R0.4 CCCCCC#CC(=O)OCC S414107 [1,1,0,0,0,0|0,0,2]=4 24 B11R0.4 CCCCCCCC(=O)CCC CDS001481 [1,1,0,0,0,0|0,0,2]=4 25 B11R0.4 CCCCCCCC(=O)OCCl PH007966 [1,1,0,0,0,0|1,0,0]=3 26 B11R0.4 CCOC(=O)CCCCCCO R174513 [1,1,0,0,0,0|0,0,1]=3 27 B11R0.5 CCCCC(N)CC(=O)OCC CBR00803 [1,1,0,0,0,0|0,0,1]=3 28 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [1,1,0,0,0,0|2,0,0]=4 29 B11R0.46 CCCCCC(=O)CCC(=O)O T330051 [1,1,0,0,0,0|2,0,0]=4 30 B13R0.1 CCCCCCC(=O)CCCC(=O)O S580511 [0,2,0,0,0,0|1,0,1]=4 31 B13R0.338 CCCCCCCC(=O)OCCCC CDS000585 [0,2,0,0,0,0|0,0,2]=4 32 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 CDS003427 [1,0,0,1,0,0|1,0,1]=4 33 B11R1.26 O=C\1CCCCCC/C1=C\O R238813 [1,0,0,1,0,0|1,0,1]=4 34 B11R1.30 CCOC(=O)CC1CCCC1 S433101 [1,0,0,1,0,0|0,0,1]=3 35 B11R1.101 O=C1C=CCCCCCCC1 T231835 [1,0,0,1,0,0|0,0,2]=4 36 B11R1.101 O=C1CCC=CCCCCC1 S939781 [1,0,0,1,0,0|0,0,2]=4 37 B11R1.101 O=C1CCCCCCCCN1 S929964 [1,0,0,1,0,0|1,0,1]=4 38 B11R1.180 CCCCCC1CCCC1=O S148938 [1,0,0,1,0,0|0,0,2]=4 39 B11R1.774 [18OH][C@@]1(CCCC[C@@H]1C)CC=C T244465 [1,0,0,1,0,0|0,0,2]=4 40 B13R1.154 C=CCOC1CCC=CCCC1=O T273015 [0,1,0,1,0,0|0,0,2]=4 41 B13R1.685 C=CCOC(=O)C1NCSC1(C)C ANV00266 [0,1,0,1,0,0|2,0,0]=4 42 B13R1.44 C=CCNC(=O)NC1CCCCC1 S603457 [0,1,0,1,0,0|1,0,0]=3 43 B13R1.44 CCCOC(=O)NC1CCCCC1 S624802 [0,1,0,1,0,0|0,0,2]=4 44 B13R1.44 O=C(NC1CCCCC1)OCCCl S624934 [0,1,0,1,0,0|1,0,1]=4 45 B13R1.9128 C=CCC1(CCCCCCC1=O)O T273007 [0,1,0,1,0,0|1,0,0]=3 46 B13R2.67 C1=CCC2=C(C1)CCCCCC2 T169773 [0,0,0,2,0,0|2,0,0]=4 47 B13R2.371 [C@H]12CCCCC1C(=O)CCC2=O S305375 [0,0,0,2,0,0|2,0,0]=4 48 B13R2.210 [C@@H]12CCCC1=CCCC(=O)CC2 T220272 [0,0,0,2,0,0|1,0,0]=3