0 B12R0.268 CC(O)CCCCCCCC(=O)O S888087 [0,0,0,0,0,0|1,0,1]=2 1 B12R0.268 NC(=O)OCCCCCOC(=O)N PH002291 [0,0,0,0,0,0|4,0,0]=4 2 B12R0.268 O=C(O)CCCOCCCC(=O)O T279013 [0,0,0,0,0,0|1,0,0]=1 3 B12R0.268 O=C(O)CCSCSCCC(=O)O S614513 [0,0,0,0,0,0|2,0,0]=2 4 B12R0.268 O=C(O)CSCCCSCC(=O)O L497126 [0,0,0,0,0,0|2,0,0]=2 5 B11R0.148 C(=O)CCCCCCOC(=O)C T168823 [1,0,0,0,0,0|2,0,0]=3 6 B11R0.148 CCCCCCCCCC(=O)N S549878 [1,0,0,0,0,0|2,0,1]=4 7 B11R0.148 O=C(O)CCCCCCCCBr T333328 [1,0,0,0,0,0|1,0,1]=3 8 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [1,0,0,0,0,0|0,0,1]=2 9 B13R1.589 O=C(O)CC1=C(CCCC1)C(=O)O PH000618 [0,0,0,1,0,0|0,0,2]=3 10 B13R1.1082 O=C(O)C1=C(CCCCC1)C(=O)O T229199 [0,0,0,1,0,0|0,0,2]=3 11 B13R1.8832 O=C(O)CN1CCCCCS1(=O)=O PH018162 [0,0,0,1,0,0|2,0,1]=4 12 B11R0.30 CC(=O)NCCCCCC(=O)O PH010928 [0,0,0,0,1,0|2,0,0]=3 13 B11R0.30 N=C(N)NCCCCCC(=O)O S787256 [0,0,0,0,1,0|3,0,0]=4 14 B11R0.30 O=C(O)CC/C=C/CCC(=O)O CDS008155 [0,0,0,0,1,0|0,0,2]=3 15 B13R0.179 CC(=O)CCCCCCCCC(=O)O S826499 [0,0,0,0,0,1|1,0,0]=2 16 B13R0.179 CC(Br)CCCCCCCCC(=O)O L203696 [0,0,0,0,0,1|2,0,1]=4 17 B13R0.179 NC(=O)CCCCCCCCC(=O)N R750662 [0,0,0,0,0,1|2,0,0]=3 18 B13R0.179 O=C(O)CCOCCOCCC(=O)O ANV00315 [0,0,0,0,0,1|1,0,0]=2 19 B13R0.179 O=C(O)CSCCCCSCC(=O)O S359068 [0,0,0,0,0,1|1,0,0]=2 20 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] CDS000582 [0,0,0,0,0,1|0,0,2]=3 21 B10R0.4 CCCCCCCCC(=O)N S595268 [2,0,0,0,0,0|1,0,1]=4 22 B12R0.234 C=CCCCCCCCCC(=O)[O-] CDS003850 [1,1,0,0,0,0|1,0,1]=4 23 B12R0.234 CCCCCCCCOCC(=O)O PH010016 [1,1,0,0,0,0|1,0,1]=4 24 B12R0.234 N#CCCCCCCCCC(=O)O S367591 [1,1,0,0,0,0|1,0,1]=4 25 B12R0.248 COC(=O)CCCCCCCCI T266353 [1,1,0,0,0,0|1,0,1]=4 26 B12R0.42 CC(=O)NCCCCC(N)C(=O)O S783579 [0,1,0,0,1,0|2,0,0]=4 27 B12R0.42 NC(=O)NCCCCC(N)C(=O)O S786659 [0,1,0,0,1,0|2,0,0]=4 28 B12R0.42 NC(CCCCCC(=O)O)C(=O)O PH009856 [0,1,0,0,1,0|0,0,0]=2 29 B12R0.44 O=C(O)CCCC(=O)CCC(=O)O T273805 [0,1,0,0,1,0|0,0,1]=3 30 B14R0.305 COC(=O)CCCCCCCCC(=O)O S669768 [0,1,0,0,0,1|0,0,0]=2 31 B14R0.305 O=C(O)CCCCCCCCC(O)CO S489425 [0,1,0,0,0,1|0,0,2]=4 32 B14R0.405 NC(CSCSCC(N)C(=O)O)C(=O)O S449229 [0,2,0,0,0,0|2,0,0]=4 33 B14R0.4266 O=C(O)CCCC(=NO)CCCC(=O)O S906654 [0,2,0,0,0,0|0,0,1]=3 34 B12R1.125 CN1CCCCC1CCC(=O)O CBR01004 [1,0,0,1,0,0|2,0,0]=4 35 B12R1.125 O=C(O)CCC1CCCCC1=O PH010413 [1,0,0,1,0,0|0,0,0]=2 36 B12R1.130 NC(=O)CCCN1CCCC1=O S364320 [1,0,0,1,0,0|2,0,0]=4 37 B12R1.130 O=C(O)CCCN1CCCC1=O CBR00225 [1,0,0,1,0,0|1,0,0]=3 38 B12R1.210 NC(=O)CN1CCCCCC1=O T323020 [1,0,0,1,0,0|2,0,0]=4 39 B12R1.212 N[C@H]1CCCCCC[C@H]1C(=O)O BBO000396 [1,0,0,1,0,0|1,0,1]=4 40 B12R1.252 O=C(O)CCCC1CCCCC1 S462837 [1,0,0,1,0,0|1,0,1]=4 41 B12R1.252 O=C(O)COCC1CCCCO1 CBR01455 [1,0,0,1,0,0|1,0,1]=4 42 B12R1.261 O=C(O)C1CC=CCC1C(=O)O S676896 [0,0,0,1,1,0|0,0,2]=4 43 B12R1.261 O=C(O)[C@H]1CCCC[C@H]1C(=O)O S443824 [0,0,0,1,1,0|0,0,0]=2 44 B14R1.1499 CC1(CCCC=C1CC(=O)O)C(=O)O PH008879 [0,1,0,1,0,0|0,0,2]=4 45 B14R1.6337 O=C(O)CCC1CC(C1)CCC(=O)O T237078 [0,1,0,1,0,0|0,0,0]=2 46 B10R0.97 O=C(O)CSCSCC(=O)O S352896 [0,0,0,0,2,0|2,0,0]=4 47 B14R0.68 O=C(O)CSCCOCCSCC(=O)O S359343 [0,0,0,0,0,2|1,0,0]=3