0 B11R0.40 COC(=O)CCCCCCC#N D93832 [0,0,0,0,0,0|1,0,1]=2 1 B11R0.40 COC(=O)CCCCCCC=O D94271 [0,0,0,0,0,0|1,0,1]=2 2 B11R0.40 COC(=O)CCCCCCCBr D94848 [0,0,0,0,0,0|1,0,0]=1 3 B10R0.4 CC(=O)NCCCCCCN D93510 [1,0,0,0,0,0|2,0,0]=3 4 B10R0.4 O=C(O)CCCCCCCO S10749 [1,0,0,0,0,0|1,0,0]=2 5 B12R0.184 COC(=O)CCNCCCN(C)C Y11404 [0,1,0,0,0,0|2,0,0]=3 6 B12R0.248 COC(=O)CCCCCCCC=O S10595 [0,1,0,0,0,0|0,0,1]=2 7 B12R1.1 COCCCN1CCC(=O)CC1 12003 [0,0,0,1,0,0|3,0,0]=4 8 B12R1.27 COC(=O)CCC1CCNCC1 AT13298 [0,0,0,1,0,0|1,0,0]=2 9 B12R1.27 COC(=O)CCC1CCNCC1 P20545 [0,0,0,1,0,0|1,0,0]=2 10 B12R1.27 COC(=O)CCN1CCNCC1 AT22940 [0,0,0,1,0,0|2,0,0]=3 11 B12R1.27 COC(=O)CO[C@@H]1CCCCO1 C72430 [0,0,0,1,0,0|2,0,0]=3 12 B12R1.371 COC(=O)CC1CNCCC1C P16234 [0,0,0,1,0,0|1,0,0]=2 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 B9R0.46 CCNCCCC(=O)OC 72977 [2,0,0,0,0,0|1,0,0]=3 21 B9R0.46 COC(=O)CSCCCCl W12305 [2,0,0,0,0,0|2,0,0]=4 22 B11R0.30 CC(=O)CCCCCCC(C)=O C73196 [1,1,0,0,0,0|0,0,1]=3 23 B11R0.30 CC(C)\C=C\CCCCC(=O)O C16043 [1,1,0,0,0,0|0,0,2]=4 24 B11R0.42 C=CCCCCC[C@H](N)C(=O)O C77165 [1,1,0,0,0,0|0,0,2]=4 25 B11R0.42 C=CCCCCC[C@H](N)C(=O)O D96783 [1,1,0,0,0,0|0,0,2]=4 26 B11R0.42 CCCCCCC[C@H](N)C(=O)O W18676 [1,1,0,0,0,0|0,0,0]=2 27 B11R0.46 CCCCOC(=O)CCC(=O)O S10462 [1,1,0,0,0,0|1,0,1]=4 28 B11R0.111 COC(=O)CCCCCC(=O)O A11369 [1,1,0,0,0,0|1,0,1]=4 29 B11R0.148 C#CCCCCCCCC(=O)O AT18721 [1,1,0,0,0,0|0,0,1]=3 30 B11R0.148 CCCC\C=C/CCOC(C)=O D93562 [1,1,0,0,0,0|0,0,2]=4 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 B11R0.3 CCCCCCCCCCNC A11532 [1,1,0,0,0,0|1,0,1]=4 34 B11R0.3 CCCCCCCCSCCO A10652 [1,1,0,0,0,0|2,0,0]=4 35 B11R0.3 CNCCCCCCCCNC D93197 [1,1,0,0,0,0|1,0,1]=4 36 B13R0.201 COC(=O)CCCCCCC(=O)OC D91828 [0,2,0,0,0,0|0,0,1]=3 37 B13R0.147 COC(=O)CCCCCCCCC=O F19637 [0,2,0,0,0,0|0,0,0]=2 38 B11R1.86 CN1CCCC[C@@H]1CC(=O)O 33486 [1,0,0,1,0,0|1,0,0]=3 39 B11R1.1 CCCOC1CCC(=O)CC1 O11282 [1,0,0,1,0,0|2,0,0]=4 40 B11R1.25 COC(=O)CCC1CCCC1 AB7510 [1,0,0,1,0,0|0,0,0]=2 41 B11R1.25 COC(=O)CC[C@H]1CCNC1 37986 [1,0,0,1,0,0|1,0,0]=3 42 B11R1.40 CCC(=O)NC1CCCCC1 D93363 [1,0,0,1,0,0|2,0,0]=4 43 B11R1.40 COC(=O)CN1CCNCC1 20983 [1,0,0,1,0,0|2,0,0]=4 44 B11R1.40 COC(=O)C[C@H]1CCCNC1 64247 [1,0,0,1,0,0|1,0,0]=3 45 B11R1.40 COC(=O)C[C@H]1CCCNC1 64248 [1,0,0,1,0,0|1,0,0]=3 46 B11R1.40 COC(=O)C[C@H]1COCCN1 67400 [1,0,0,1,0,0|2,0,0]=4 47 B11R1.222 COC(=O)C1CCNCC1C P18679 [1,0,0,1,0,0|1,0,0]=3 48 B11R1.222 COC(=O)C1CNCCC1C 85191 [1,0,0,1,0,0|1,0,0]=3 49 B11R1.222 COC(=O)[C@@H]1CNCCN1C C15749 [1,0,0,1,0,0|2,0,0]=4 50 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N P18320 [1,0,0,1,0,0|2,0,0]=4 51 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N AB11610 [1,0,0,1,0,0|1,0,0]=3 52 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N P16222 [1,0,0,1,0,0|1,0,0]=3 53 B11R1.222 COC(=O)[C@H]1CCNC[C@H]1C 60938 [1,0,0,1,0,0|1,0,0]=3 54 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C P16722 [1,0,0,1,0,0|1,0,0]=3 55 B11R1.852 COC(=O)C1CCCCCC1 70466 [1,0,0,1,0,0|0,0,0]=2 56 B11R1.852 COC(=O)N1CCCNCC1 72804 [1,0,0,1,0,0|2,0,0]=4 57 B11R1.852 COC(=O)[C@H]1CCCNCC1 P12663 [1,0,0,1,0,0|1,0,0]=3 58 B13R1.42 CCOC(=O)CO[C@@H]1CCCCO1 O11739 [0,1,0,1,0,0|2,0,0]=4 59 B13R1.470 CCOC(=O)CC1CCNCC1C P14638 [0,1,0,1,0,0|1,0,0]=3 60 B13R1.470 CCOC(=O)CC1CCOCC1F W11884 [0,1,0,1,0,0|2,0,0]=4 61 B13R1.135 CNC(=O)[C@@H](N)CC1CCCCC1 P18304 [0,1,0,1,0,0|1,0,0]=3 62 B13R1.546 COC(=O)[C@@H]1CCCCCCC1=O 33748 [0,1,0,1,0,0|0,0,1]=3 63 B13R1.547 COC(=O)C1CCCCC1C(=O)O O10526 [0,1,0,1,0,0|1,0,1]=4 64 B13R1.547 COC(=O)[C@H]1CCCC[C@@H]1C(=O)O C74281 [0,1,0,1,0,0|1,0,1]=4 65 B13R1.9 CCCCCCC1CCC(=O)CC1 W17270 [0,1,0,1,0,0|1,0,0]=3 66 B13R2.5037 O=C1CCC2(CCCCC2)CC1 E10021 [0,0,0,2,0,0|1,0,0]=3 67 B13R2.5037 O=C1CCC2(CCOCC2)CC1 67363 [0,0,0,2,0,0|2,0,0]=4 68 B13R2.32 CN1C(=O)CCC2CNCCC21 W12225 [0,0,0,2,0,0|2,0,0]=4 69 B13R2.528 COC(=O)[C@H]1CC12CCNCC2 AT12760 [0,0,0,2,0,0|1,0,0]=3 70 B13R2.1153 COC(=O)[C@@H]1CC2CCN1CC2 73894 [0,0,0,2,0,0|1,0,0]=3 71 B13R2.1100 COC(=O)C1C2CCC1CNC2 38735 [0,0,0,2,0,0|1,0,0]=3 72 B13R2.14995 COC(=O)C12CCCN1CCC2 P10993 [0,0,0,2,0,0|1,0,0]=3