0 B11R0.46 CCCCOC(=O)CCC(=O)O S10462 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.46 COCCOC(=O)CCC(=O)O D93560 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.4 CC(=O)NCCCCCCN D93510 [1,0,0,0,0,0|3,0,0]=4 3 B10R0.4 O=C(O)CCCCCCCO S10749 [1,0,0,0,0,0|1,0,0]=2 4 B10R0.78 CCCCC(=O)NCC(=O)O 81427 [1,0,0,0,0,0|2,0,1]=4 5 B10R0.78 CCCNC(=O)CCC(=O)O W18569 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.1 COCCCN1CCC(=O)CC1 12003 [0,0,0,1,0,0|3,0,0]=4 7 B12R1.54 O=C(O)CCC(=O)N1CCCC1 F20023 [0,0,0,1,0,0|2,0,1]=4 8 B12R1.1009 CC1CCCC(C)N1CC(=O)O AC8743 [0,0,0,1,0,0|1,0,0]=2 9 B12R1.1343 O=C(O)CCN1CCCCCC1 D82188 [0,0,0,1,0,0|1,0,0]=2 10 B12R1.1416 COCCOC1CC(C(=O)O)C1 D84854 [0,0,0,1,0,0|2,0,0]=3 11 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10061 [0,0,0,0,1,0|2,0,0]=3 12 B12R0.233 CCCCCC(=O)CCCC(=O)O Y13481 [0,0,0,0,0,1|1,0,1]=3 13 B9R0.2 C#CCCCCCC(=O)O AT11953 [2,0,0,0,0,0|0,0,2]=4 14 B9R0.2 C=CCCCCCC(=O)O I11997 [2,0,0,0,0,0|0,0,2]=4 15 B9R0.2 CCCCCCCC(=O)[O-] F12023 [2,0,0,0,0,0|0,0,1]=3 16 B9R0.2 CCC\C=C/CCC(=O)O E70288 [2,0,0,0,0,0|0,0,2]=4 17 B9R0.2 COCCOCCC(=O)O C70448 [2,0,0,0,0,0|2,0,0]=4 18 B9R0.2 O=C(O)CNCCCCO 72467 [2,0,0,0,0,0|2,0,0]=4 19 B9R0.45 CCCCOCCCCO S11917 [2,0,0,0,0,0|1,0,1]=4 20 B9R0.5 CCCCC[C@H](O)CCO A10789 [2,0,0,0,0,0|1,0,0]=3 21 B11R0.30 CC(=O)CCCCCCC(C)=O C73196 [1,1,0,0,0,0|1,0,1]=4 22 B11R0.30 CC(C)\C=C\CCCCC(=O)O C16043 [1,1,0,0,0,0|0,0,2]=4 23 B11R0.40 COC(=O)CCCCCCC#N D93832 [1,1,0,0,0,0|1,0,1]=4 24 B11R0.40 COC(=O)CCCCCCC=O D94271 [1,1,0,0,0,0|1,0,1]=4 25 B11R0.40 COC(=O)CCCCCCCBr D94848 [1,1,0,0,0,0|1,0,0]=3 26 B11R0.42 C=CCCCCC[C@H](N)C(=O)O C77165 [1,1,0,0,0,0|0,0,2]=4 27 B11R0.42 C=CCCCCC[C@H](N)C(=O)O D96783 [1,1,0,0,0,0|0,0,2]=4 28 B11R0.42 CCCCCCC[C@H](N)C(=O)O W18676 [1,1,0,0,0,0|0,0,0]=2 29 B11R0.111 COC(=O)CCCCCC(=O)O A11369 [1,1,0,0,0,0|1,0,1]=4 30 B11R0.148 C#CCCCCCCCC(=O)O AT18721 [1,1,0,0,0,0|0,0,1]=3 31 B11R0.148 NCCCCCCCCC(=O)O D94864 [1,1,0,0,0,0|0,0,0]=2 32 B11R0.148 O=C(O)CCOCCOCCBr S10585 [1,1,0,0,0,0|2,0,0]=4 33 B11R0.107 CCC(C)CCC(O)CC(=O)O A10745 [0,1,0,0,1,0|1,0,0]=3 34 B11R1.86 CN1CCCC[C@@H]1CC(=O)O 33486 [1,0,0,1,0,0|1,0,0]=3 35 B11R1.1 CCCOC1CCC(=O)CC1 O11282 [1,0,0,1,0,0|2,0,0]=4 36 B11R1.211 O=C(O)C1CC(OCCF)C1 D79231 [1,0,0,1,0,0|2,0,0]=4 37 B11R1.157 CC1CCCC(CC(=O)O)C1 C77600 [0,0,0,1,1,0|0,0,0]=2 38 B11R1.928 CC1(CC(=O)O)CCOCC1 D84903 [0,0,0,1,1,0|1,0,0]=3 39 B11R1.928 NC1(CC(=O)O)CCCCC1 25188 [0,0,0,1,1,0|1,0,0]=3 40 B11R1.928 NC1(CC(=O)O)CCCCC1 A50498 [0,0,0,1,1,0|1,0,0]=3 41 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O P20260 [0,1,0,1,0,0|0,0,0]=2 42 B13R1.9 CCCCCCC1CCC(=O)CC1 W17270 [0,1,0,1,0,0|1,0,0]=3 43 B13R2.5037 O=C1CCC2(CCCCC2)CC1 E10021 [0,0,0,2,0,0|1,0,0]=3 44 B13R2.5037 O=C1CCC2(CCOCC2)CC1 67363 [0,0,0,2,0,0|2,0,0]=4 45 B13R2.5187 CC1CCC2C(=O)OC(=O)C2C1 H11995 [0,0,0,2,0,0|1,0,1]=4 46 B13R2.433 O=C(O)C1CC2CCCC(C2)C1 94777 [0,0,0,2,0,0|0,0,0]=2 47 B13R2.13968 O=C(O)C1CC2(CCNCC2)C1 P17620 [0,0,0,2,0,0|1,0,0]=3 48 B9R0.4 CCCC[C@H](C)OC(=O)Cl S11041 [1,0,0,0,1,0|2,0,0]=4 49 B9R0.4 CSCC[C@H](N)CC(=O)O F12355 [1,0,0,0,1,0|2,0,0]=4 50 B9R0.4 CSCC[C@H](N)CC(=O)O FD10029 [1,0,0,0,1,0|2,0,0]=4 51 B9R0.4 CSCC[C@H](N)CC(=O)O FD10030 [1,0,0,0,1,0|2,0,0]=4 52 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [0,0,0,0,2,0|1,0,0]=3 53 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [0,0,0,0,2,0|1,0,0]=3 54 B9R0.47 CCSCC[C@H](N)C(=O)O A12005 [0,0,0,0,2,0|2,0,0]=4 55 B9R0.47 NCCCC[C@H](N)C(=O)O F10821 [0,0,0,0,2,0|2,0,0]=4