0 B12R1.567 C=CC=CCC1=C(CCC1=O)C CNP0609536.0 [0,0,0,0,0,0|0,0,4]=4 1 B12R1.567 CCC=CCC1=C(CCC1=O)C CNP0206003.0 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.567 CCCCCC1=C(CCC1=O)C CNP0354329.0 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.180 CCCCCC1=CCCC1=O CNP0080134.0 [1,0,0,0,0,0|0,0,0]=1 4 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [1,0,0,0,0,0|0,0,2]=3 5 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.465 CC=CCC1=C(CCC1=O)C CNP0359607.0 [1,0,0,0,0,0|0,0,2]=3 7 B11R1.465 CCCCC1=C(COC1=O)C CNP0288035.0 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.6200 CC/C=C/CC1=C([C@@H](CC1=O)O)C CNP0292899.3 [0,1,0,0,0,0|0,0,2]=3 9 B13R1.6200 CC/C=C\CC1=C([C@@H](CC1=O)O)C CNP0292899.2 [0,1,0,0,0,0|0,0,2]=3 10 B13R1.6200 CC/C=C\CC1=C([C@H](CC1=O)O)C CNP0292899.1 [0,1,0,0,0,0|0,0,2]=3 11 B11R0.75 CCCCCC(CC)C(=O)OC CNP0271120.0 [0,0,1,0,0,0|1,0,2]=4 12 B11R0.81 C=C(CCCC)OCCCCC CNP0385438.0 [0,0,1,0,0,0|2,0,1]=4 13 B11R0.81 C=CCOC(=O)CCCCCC CNP0085340.0 [0,0,1,0,0,0|1,0,2]=4 14 B11R0.81 CCCCCCC(=O)CCC=O CNP0001517.0 [0,0,1,0,0,0|1,0,1]=3 15 B11R0.81 CCCCCCC(=O)OCCC CNP0320924.0 [0,0,1,0,0,0|1,0,2]=4 16 B11R0.81 CCCCCOC(=O)CCCC CNP0079884.0 [0,0,1,0,0,0|1,0,1]=3 17 B13R2.3042 CC1=C(C(=O)CC1)N2CCCC2 CNP0178945.0 [0,0,0,1,0,0|1,0,0]=2 18 B13R2.3042 O=C1CCC(C1C2CCCC2)O CNP0496537.0 [0,0,0,1,0,0|1,0,2]=4 19 B10R0.24 CCCCC=C(C=O)CCC CNP0589946.0 [1,0,1,0,0,0|0,0,2]=4 20 B10R0.83 CC=C(C)C(=O)CCCCC CNP0394780.0 [1,0,1,0,0,0|0,0,1]=3 21 B10R0.83 CC=C(C)C(=O)OCCCC CNP0152613.0 [1,0,1,0,0,0|1,0,1]=4 22 B10R0.83 CCCCOC(=O)[C@H](C)CC CNP0310161.1 [1,0,1,0,0,0|1,0,1]=4 23 B10R0.86 CCCCCC(=C(C)C)CC CNP0525945.0 [1,0,1,0,0,0|0,0,1]=3 24 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [1,0,1,0,0,0|1,0,1]=4 25 B10R0.1 CCCC(=O)NCCCCCl CNP0333987.0 [1,0,1,0,0,0|2,0,0]=4 26 B10R0.1 CCCC(=O)OCCCSC CNP0006534.0 [1,0,1,0,0,0|2,0,0]=4 27 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [1,0,1,0,0,0|1,0,1]=4 28 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [1,0,1,0,0,0|1,0,1]=4 29 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [1,0,1,0,0,0|1,0,1]=4 30 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [1,0,1,0,0,0|1,0,0]=3 31 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [1,0,1,0,0,0|0,0,1]=3 32 B10R0.71 CCCCC=CCCCC=O CNP0003436.0 [1,0,1,0,0,0|0,0,2]=4 33 B10R0.71 CCCCC=CCCCCC CNP0245948.0 [1,0,1,0,0,0|0,0,1]=3 34 B10R0.71 CCCCC=CCCCCO CNP0201281.0 [1,0,1,0,0,0|1,0,1]=4 35 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [1,0,1,0,0,0|0,0,2]=4 36 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [1,0,1,0,0,0|0,0,0]=2 37 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [1,0,1,0,0,0|0,0,2]=4 38 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [1,0,1,0,0,0|0,0,2]=4 39 B10R0.91 C=CCCC(C)CCCCC CNP0083054.0 [1,0,1,0,0,0|1,0,1]=4 40 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [1,0,1,0,0,0|1,0,1]=4 41 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [1,0,1,0,0,0|1,0,1]=4 42 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [1,0,1,0,0,0|1,0,1]=4 43 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [1,0,1,0,0,0|1,0,0]=3 44 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [1,0,1,0,0,0|0,0,1]=3 45 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [1,0,1,0,0,0|1,0,1]=4 46 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [1,0,1,0,0,0|2,0,0]=4 47 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [1,0,1,0,0,0|1,0,1]=4 48 B10R0.91 CCCCOC(=O)CCCC CNP0085853.0 [1,0,1,0,0,0|1,0,1]=4 49 B10R0.91 CCCC[Se]C(=O)CCCC CNP0604167.0 [1,0,1,0,0,0|1,0,1]=4 50 B12R0.47 CCCCCCC(=O)OCCCC CNP0305116.0 [0,1,1,0,0,0|0,0,2]=4 51 B12R0.47 CCCCCOC(=O)CCCCC CNP0135873.0 [0,1,1,0,0,0|1,0,1]=4 52 B12R0.95 CCCCC(=O)OCCCC(C)C CNP0320343.0 [0,1,1,0,0,0|1,0,1]=4 53 B12R0.102 CC[C@@H](C)CCC[C@@H](C)CCC=O CNP0244248.3 [0,1,1,0,0,0|0,0,2]=4 54 B12R0.102 CC[C@@H](C)CCC[C@H](C)CCC=O CNP0244248.1 [0,1,1,0,0,0|0,0,2]=4 55 B12R0.102 CC[C@H](C)CCC[C@@H](C)CCC=O CNP0244248.2 [0,1,1,0,0,0|0,0,2]=4 56 B12R0.102 CC[C@H](C)CCC[C@H](C)CCC=O CNP0244248.4 [0,1,1,0,0,0|0,0,2]=4 57 B12R0.111 CCCCCC=C(C=O)CCCC CNP0422738.0 [0,1,1,0,0,0|0,0,1]=3 58 B12R0.206 CCCCC=COC(=O)CCCC CNP0548851.0 [0,1,1,0,0,0|0,0,2]=4 59 B12R0.206 CCCCCCCC(=O)CCCC CNP0528685.0 [0,1,1,0,0,0|0,0,2]=4 60 B12R0.206 CCCCCCOC(=O)CCCC CNP0076877.0 [0,1,1,0,0,0|0,0,2]=4 61 B12R0.255 CCCCCCC(=O)CCC(=O)C CNP0196471.0 [0,1,1,0,0,0|0,0,1]=3 62 B12R0.255 CCCCCCC(=O)CCC(=O)O CNP0192324.0 [0,1,1,0,0,0|1,0,1]=4 63 B12R0.255 CCCCCOC(=O)CCC(=O)C CNP0609109.0 [0,1,1,0,0,0|1,0,0]=3 64 B12R0.255 CCCCCOC(=O)CCC(C)C CNP0532674.0 [0,1,1,0,0,0|1,0,1]=4 65 B12R0.648 CCCCC[C@H](C)[C@H](C)CCC=O CNP0312819.1 [0,1,1,0,0,0|0,0,2]=4 66 B12R1.1624 C/C=C/CC1=C([C@@H](CC1=O)O)C CNP0231361.1 [1,1,0,0,0,0|0,0,2]=4 67 B12R1.1624 C/C=C\CC1=C([C@@H](CC1=O)O)C CNP0231361.2 [1,1,0,0,0,0|0,0,2]=4 68 B14R1.13103 CCCCCCC1=C(C(=O)OC1=O)C CNP0145424.0 [0,2,0,0,0,0|1,0,1]=4 69 B14R1.9530 CC1=C(C(=O)CC1)CC(O)CC(=O)O CNP0356542.0 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.321 CCCCC1CCCCC(=O)O1 CNP0167621.0 [0,0,1,1,0,0|1,0,1]=4 71 B12R2.10 O=C1CCC=C1N2CCCC2 CNP0285485.0 [1,0,0,1,0,0|1,0,0]=3 72 B12R2.586 O=C1CCC2=C1NCCCC2 CNP0002630.0 [1,0,0,1,0,0|1,0,0]=3 73 B14R2.8504 C[C@@]12CCCCCC1=CC(=O)CC2 CNP0514651.1 [0,0,0,1,0,1|0,0,1]=3 74 B14R2.29234 C[C@]12CCC(=O)C=C1CCC[C@@H]2O CNP0095297.1 [0,0,0,1,0,1|1,0,1]=4 75 B14R2.3292 CCC1=C(C(=O)CC1)N2CCCC2 CNP0321108.0 [0,1,0,1,0,0|1,0,0]=3 76 B14R2.4452 CC1=C(C(=O)C(O1)C)N2CCCC2 CNP0055127.0 [0,1,0,1,0,0|2,0,0]=4 77 B14R2.4452 CC1=C(C(=O)CC1C)N2CCCC2 CNP0134096.0 [0,1,0,1,0,0|1,0,0]=3 78 B12R1.28 CCCCCC1=CC=CC(=O)O1 CNP0184251.0 [1,0,0,0,0,1|0,0,2]=4 79 B12R1.28 CCCCC[C@@H]1CCCC(=O)O1 CNP0259863.1 [1,0,0,0,0,1|0,0,2]=4 80 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 CNP0259863.2 [1,0,0,0,0,1|0,0,2]=4