0 B21R0.2907 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC MCULE-7544559322 [0,0,0,0,0,0|1,0,2]=3 1 B21R0.2907 CCCCCC=CCC=CCCCCCCCC(=O)OCC MCULE-4304799829 [0,0,0,0,0,0|1,0,2]=3 2 B21R0.2907 CCCCCCCC/C=C\CCCCCCCC(=O)OCC MCULE-9535038485 [0,0,0,0,0,0|1,0,0]=1 3 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)NCC MCULE-9596411884 [0,0,0,0,0,0|0,0,0]=0 4 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)OCC MCULE-3486771028 [0,0,0,0,0,0|1,0,0]=1 5 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC MCULE-3414589628 [0,0,0,0,0,0|1,0,2]=3 6 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCCl MCULE-5709243578 [0,0,0,0,0,0|2,0,2]=4 7 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCI MCULE-4466117960 [0,0,0,0,0,0|2,0,2]=4 8 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCC MCULE-3916038569 [1,0,0,0,0,0|1,0,1]=3 9 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCCl MCULE-4551655923 [1,0,0,0,0,0|2,0,1]=4 10 B20R0.3034 CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC MCULE-4142533371 [1,0,0,0,0,0|1,0,2]=4 11 B20R0.3034 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC MCULE-1089286417 [1,0,0,0,0,0|1,0,2]=4 12 B20R0.3034 CCCCCC=CCC=CCCCCCCCC(=O)OC MCULE-4399438587 [1,0,0,0,0,0|1,0,2]=4 13 B20R0.3034 CCCCCCC=CC=CCCCCCCCC(=O)OC MCULE-9043062815 [1,0,0,0,0,0|1,0,2]=4 14 B20R0.3034 CCCCCCCC/C=C/CCCCCCCC(=O)OC MCULE-6969329015 [1,0,0,0,0,0|1,0,0]=2 15 B20R0.3034 CCCCCCCC/C=C\CCCCCCCC(=O)OC MCULE-4995415924 [1,0,0,0,0,0|1,0,0]=2 16 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)NO MCULE-4738313374 [1,0,0,0,0,0|1,0,0]=2 17 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)OC MCULE-8140747078 [1,0,0,0,0,0|1,0,0]=2 18 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NC MCULE-5204951477 [1,0,0,0,0,0|0,0,2]=3 19 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NN MCULE-7304182763 [1,0,0,0,0,0|1,0,2]=4 20 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC MCULE-4040350805 [1,0,0,0,0,0|1,0,2]=4 21 B20R0.3034 CCCCCCCCCCCCCCCCOC(=O)CC MCULE-9277107250 [1,0,0,0,0,0|1,0,2]=4 22 B22R0.54 CCCCCCCCCCCCCCCCCCC(=O)OCC MCULE-8035292791 [0,1,0,0,0,0|1,0,2]=4 23 B22R0.2837 CCCCCC(O)C=CC=CCCCCCCCC(=O)OCC MCULE-2983172633 [0,1,0,0,0,0|1,0,2]=4 24 B22R0.37842 CCCCCC=CCC=CCCCCCCCC(=O)OC(C)C MCULE-6153370220 [0,1,0,0,0,0|1,0,2]=4 25 B22R0.37842 CCCCCCCCCCCCCCCCCC(=O)OC(C)C MCULE-3731648811 [0,1,0,0,0,0|1,0,2]=4 26 B22R0.38211 CCCCCCC(O)CCCCCCCCCCC(=O)OCC MCULE-5339275906 [0,1,0,0,0,0|1,0,2]=4 27 B22R0.38211 [C@H](O)(CC=CCCCCCCCC(=O)OCC)CCCCCC MCULE-7818588594 [0,1,0,0,0,0|1,0,0]=2 28 B22R0.38218 CCCCCCCC/C=C\CCCCCCCC(=O)N(C)OC MCULE-8547437397 [0,1,0,0,0,0|1,0,0]=2 29 B22R0.38515 CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO MCULE-5510847560 [0,1,0,0,0,0|0,0,2]=3 30 B22R0.38515 CCCCCC=CCC=CCCCCCCCC(=O)NCCO MCULE-1367738522 [0,1,0,0,0,0|0,0,2]=3 31 B22R0.38515 CCCCCC=CCC=CCCCCCCCC(=O)OCCC MCULE-3374497067 [0,1,0,0,0,0|1,0,2]=4 32 B22R0.38515 CCCCCCCC/C=C\CCCCCCCC(=O)NCCO MCULE-5627823576 [0,1,0,0,0,0|0,0,0]=1 33 B22R0.38515 CCCCCCCCC=CCCCCCCCC(=O)NCCO MCULE-7789529745 [0,1,0,0,0,0|0,0,0]=1 34 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)NCCO MCULE-2155628141 [0,1,0,0,0,0|0,0,2]=3 35 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)OCCCl MCULE-7434426499 [0,1,0,0,0,0|1,0,2]=4 36 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)OCCO MCULE-6821432182 [0,1,0,0,0,0|1,0,2]=4 37 B22R0.38849 CCCCCCCCC(=O)CCCCCCCCC(=O)OCC MCULE-7249115888 [0,1,0,0,0,0|1,0,1]=3 38 B22R1.39595 CCCCCCCCCCCCCCCCCC1=NCCN1 MCULE-1788691463 [0,0,0,1,0,0|1,0,2]=4 39 B22R1.39595 CCCCCCCCCCCCCCCCCC1=NCCN1 MCULE-4668485119 [0,0,0,1,0,0|1,0,2]=4 40 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC MCULE-4465312774 [2,0,0,0,0,0|1,0,1]=4 41 B19R0.182 CCCCCC/C=C\CCCCCCCC(=O)OCC MCULE-3295314962 [2,0,0,0,0,0|1,0,0]=3 42 B19R0.182 CCCCCCC=CCCCCCCCC(=O)OCC MCULE-7712829052 [2,0,0,0,0,0|1,0,0]=3 43 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC MCULE-8045613210 [2,0,0,0,0,0|1,0,0]=3 44 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCCl MCULE-1596942672 [2,0,0,0,0,0|2,0,0]=4 45 B19R0.182 CCCCCCCCCCCCCCOC(=O)CCC MCULE-9781248122 [2,0,0,0,0,0|2,0,0]=4 46 B19R0.182 CCCCCCCCCCCCNCCC(=O)OCC MCULE-4138162164 [2,0,0,0,0,0|2,0,0]=4 47 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)N MCULE-7860164761 [2,0,0,0,0,0|0,0,2]=4 48 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)N MCULE-1749485522 [2,0,0,0,0,0|0,0,2]=4 49 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)N MCULE-5519396278 [2,0,0,0,0,0|0,0,0]=2 50 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)O MCULE-3046418352 [2,0,0,0,0,0|1,0,0]=3 51 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)Cl MCULE-5061148760 [2,0,0,0,0,0|1,0,0]=3 52 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)N MCULE-1236789578 [2,0,0,0,0,0|0,0,0]=2 53 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)O MCULE-6044533117 [2,0,0,0,0,0|1,0,0]=3 54 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)[O-] MCULE-1498747483 [2,0,0,0,0,0|1,0,0]=3 55 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)[O-] MCULE-4937469311 [2,0,0,0,0,0|1,0,0]=3 56 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl MCULE-5110239318 [2,0,0,0,0,0|1,0,0]=3 57 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)N MCULE-2101563329 [2,0,0,0,0,0|0,0,0]=2 58 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O MCULE-9547538729 [2,0,0,0,0,0|1,0,0]=3 59 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] MCULE-2893862044 [2,0,0,0,0,0|1,0,0]=3 60 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] MCULE-4188975486 [2,0,0,0,0,0|1,0,0]=3 61 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C MCULE-4728028088 [2,0,0,0,0,0|0,0,2]=4 62 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N MCULE-4542342972 [2,0,0,0,0,0|0,0,2]=4 63 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCCO MCULE-9792925645 [1,1,0,0,0,0|0,0,1]=3 64 B21R0.36664 CCCCCCCCC=CCCCCCCCCNCCO MCULE-1577515300 [1,1,0,0,0,0|0,0,1]=3 65 B21R0.36664 CCCCCCCCC=CCCCCCCCCOCCO MCULE-8416658564 [1,1,0,0,0,0|1,0,1]=4 66 B21R0.2929 CCCCCCCCCC(=O)CCCCCCCC(=O)OC MCULE-3135311657 [1,1,0,0,0,0|1,0,1]=4 67 B21R0.10777 CCCCCCCCC(=O)CCCCCCCCC(=O)OC MCULE-5431651592 [1,1,0,0,0,0|1,0,1]=4 68 B21R0.21192 CCCCCCC(O)CC=CCCCCCCCC(=O)OC MCULE-5183068201 [1,1,0,0,0,0|1,0,0]=3 69 B21R0.21192 CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)OC MCULE-5897136444 [1,1,0,0,0,0|1,0,0]=3 70 B21R0.36769 CCCCCCCC/C=C/CCCCCCCC(=O)N(C)C MCULE-9119397055 [1,1,0,0,0,0|0,0,0]=2 71 B21R0.36769 CCCCCCCCCCCCCCCCCC(=O)N(C)C MCULE-1840809648 [1,1,0,0,0,0|0,0,2]=4 72 B23R0.36661 CCCCCCCCCCCCCCCCNCCC(=O)NCC MCULE-4720685979 [0,2,0,0,0,0|0,0,2]=4 73 B23R0.36737 CCCCCCCC(O)CC=CCCCCCCCC(=O)OCC MCULE-3519298534 [0,2,0,0,0,0|1,0,0]=3 74 B23R0.36737 CCCCCCC[C@@H](O)CC=CCCCCCCCC(=O)OCC MCULE-4154240375 [0,2,0,0,0,0|1,0,0]=3 75 B23R0.44099 CCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)NCCO MCULE-8958231121 [0,2,0,0,0,0|0,0,2]=4 76 B23R0.37240 CCCCCC=CCC=CCCCCCCCC(=O)N[C@H](C)CO MCULE-8219174229 [0,2,0,0,0,0|0,0,2]=4 77 B23R0.37240 CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](C)CO MCULE-9773241850 [0,2,0,0,0,0|0,0,0]=2 78 B23R0.37240 CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C)CO MCULE-2565084241 [0,2,0,0,0,0|0,0,0]=2 79 B23R0.37240 CCCCCCCCC=CCCCCCCCC(=O)N[C@@H](C)CO MCULE-3188673047 [0,2,0,0,0,0|0,0,0]=2 80 B23R0.37240 CCCCCCCCC=CCCCCCCCC(=O)N[C@H](C)CO MCULE-8238670768 [0,2,0,0,0,0|0,0,0]=2 81 B23R0.9276 CCCCCCCC/C=C\CCCCCCCC(=O)NCC(=O)O MCULE-3641715772 [0,2,0,0,0,0|0,0,1]=3 82 B23R0.9276 CCCCCCCCC=CCCCCCCCC(=O)NCC(=O)O MCULE-7858903054 [0,2,0,0,0,0|0,0,1]=3 83 B23R0.9276 CCCCCCCCC=CCCCCCCCC(=O)OCC(C)O MCULE-4810165071 [0,2,0,0,0,0|1,0,0]=3 84 B23R0.36743 CCCCCCCC/C=C\CCCCCCCC(=O)OCCCC MCULE-3277376632 [0,2,0,0,0,0|1,0,0]=3 85 B23R0.36743 CCCCCCCCC=CCCCCCCCC(=O)OCCCC MCULE-5174909262 [0,2,0,0,0,0|1,0,0]=3 86 B23R0.36743 CCCCCCCCCCCCCCCCCC(=O)NCCCO MCULE-3125296611 [0,2,0,0,0,0|0,0,2]=4