0 B31R4.658664122 CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C Amb5638544 [0,0,0,0,0,0|0,0,0]=0 1 B31R4.658664122 C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C Amb18511757 [0,0,0,0,0,0|0,0,0]=0 2 B31R4.658664122 C[C@@H](CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4CC(=O)CC[C@]4(C)C3C[C@H](O)[C@@]21C Amb28463780 [0,0,0,0,0,0|0,0,2]=2 3 B31R4.658664122 C[C@@H](CCC(=O)[O-])[C@@H]1CCC2C3CC[C@H]4C[C@@H](O)CC[C@@]4(C)C3C[C@@H](O)[C@]21C Amb22746203 [0,0,0,0,0,0|0,0,1]=1 4 B31R4.658664122 C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C Amb34915264 [0,0,0,0,0,0|0,0,0]=0 5 B31R4.658664122 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C Amb33850682 [0,0,0,0,0,0|0,0,0]=0 6 B31R4.658664122 C[C@H](CCC(=O)[O-])[C@@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C Amb34915281 [0,0,0,0,0,0|0,0,1]=1 7 B31R4.658664122 C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C Amb34916010 [0,0,0,0,0,0|0,0,1]=1 8 B31R4.658664122 C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C Amb8514577 [0,0,0,0,0,0|0,0,1]=1 9 B31R4.658664122 [C@H]12CCC3=C4CCC([C@@H](C)CCC(=O)O)[C@@]4(C)[C@@H](O)CC3[C@@]1(C)CC[C@@H](O)C2 Amb17779140 [0,0,0,0,0,0|0,0,2]=2 10 B30R4.2228022101 C[C@@H](CCC(=O)O)[C@H]1CCC2C3CC[C@@H]4CC(=O)CC[C@]4(C)C3CC[C@@]21C Amb2387473 [1,0,0,0,0,0|0,0,2]=3 11 B30R4.2228022101 C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C Amb34916483 [1,0,0,0,0,0|0,0,0]=1 12 B30R4.2228022101 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C Amb2718760 [1,0,0,0,0,0|0,0,0]=1 13 B30R4.4543104134 [C@@H]12CCCC[C@]1(C)C3C[C@H](O)[C@@]4(C)C(CC[C@@H]4[C@@H](C)CCC(=O)O)C3CC2 Amb17844196 [1,0,0,0,0,0|0,0,0]=1 14 B32R4.2009115830 CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(=O)C12C Amb17776952 [0,1,0,0,0,0|0,0,2]=3 15 B32R4.2009115830 CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C Amb9695037 [0,1,0,0,0,0|0,0,0]=1 16 B32R4.2009115830 CC(CCC(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C Amb22757728 [0,1,0,0,0,0|0,0,1]=2 17 B32R4.2009115830 CC(CCC(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C Amb33512858 [0,1,0,0,0,0|0,0,1]=2 18 B32R4.2009115830 C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C Amb22823250 [0,1,0,0,0,0|0,0,0]=1 19 B32R4.2009115830 C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C Amb34915623 [0,1,0,0,0,0|0,0,0]=1 20 B32R4.2009115830 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C Amb33824249 [0,1,0,0,0,0|0,0,1]=2 21 B32R4.2009115830 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]4(C)CC[C@@H](O)C[C@H]4C[C@H]3O Amb2709171 [0,1,0,0,0,0|0,0,0]=1 22 B32R4.2009115830 C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]4(C)CC[C@@H](O)C[C@H]4C[C@H]3O Amb533393 [0,1,0,0,0,0|0,0,1]=2 23 B32R4.2009115830 [C@@H]12C[C@H](O)CC[C@]1(C)C3CC(=O)[C@@]4(C)C(CC[C@@H]4[C@@H](C)CCC(=O)O)C3[C@H](O)C2 Amb17844194 [0,1,0,0,0,0|0,0,2]=3 24 B32R4.2009117572 CC(CCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CC(O)C12C Amb22732221 [0,1,0,0,0,0|0,0,0]=1 25 B32R4.2596864598 C[C@@H](CCC(=O)O[Na])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C Amb18511758 [0,1,0,0,0,0|0,0,0]=1 26 B30R4.2228036356 CC(CC(=O)O)C1CCC2C3C=CC4CC(O)CCC4(C)C3CC(O)C12C Amb17776950 [0,0,0,0,1,0|0,0,2]=3 27 B29R4.6025907869 [C@H]12C=CC3C4CCC([C@@H](C)CCC(=O)O)[C@@]4(C)CCC3[C@@]1(C)CCCC2 Amb17779143 [2,0,0,0,0,0|0,0,2]=4 28 B31R4.2567562094 C[C@@H](CCC(=O)O)[C@@H]1CCC2C3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]4(C)C3CC[C@]21C Amb32409367 [1,1,0,0,0,0|0,0,0]=2 29 B31R4.2567562094 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C Amb4090524 [1,1,0,0,0,0|0,0,0]=2 30 B31R4.2567562094 C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C Amb34915910 [1,1,0,0,0,0|0,0,1]=3 31 B31R4.2568380403 CC(CCC(=O)O)C1CCC2C3CCC4C(Br)C(=O)CCC4(C)C3CCC12C Amb17776932 [1,1,0,0,0,0|0,0,2]=4 32 B31R4.3395208764 COC(=O)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C Amb22757707 [1,1,0,0,0,0|0,0,2]=4 33 B31R4.3395208764 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C Amb532965 [1,1,0,0,0,0|0,0,2]=4 34 B31R4.3395208764 COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C Amb28524767 [1,1,0,0,0,0|0,0,2]=4 35 B31R4.3395208764 [C@H]1([C@@H](C)CCC(=O)OC)CCC2C3CC[C@@H]4CC(=O)CC[C@]4(C)C3CC[C@@]21C Amb17779145 [1,1,0,0,0,0|0,0,2]=4 36 B31R4.3579412452 CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C Amb2704860 [1,1,0,0,0,0|0,0,0]=2 37 B31R4.3579412452 C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2C3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C Amb19515073 [1,1,0,0,0,0|0,0,0]=2 38 B31R4.3579412452 C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)CC4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C Amb29085408 [1,1,0,0,0,0|0,0,0]=2 39 B31R4.3579412452 C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C Amb19134216 [1,1,0,0,0,0|0,0,0]=2 40 B31R4.3579412452 C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](O)CC4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C Amb34916391 [1,1,0,0,0,0|0,0,0]=2 41 B31R4.3579412452 C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C Amb34915283 [1,1,0,0,0,0|0,0,0]=2 42 B31R4.3579412452 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C Amb22232934 [1,1,0,0,0,0|0,0,1]=3 43 B31R4.3579412452 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C Amb3940926 [1,1,0,0,0,0|0,0,0]=2 44 B31R4.3579412452 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]4(C)CC[C@@H](O)CC4C[C@H]3O Amb6307407 [1,1,0,0,0,0|0,0,0]=2 45 B31R4.3579412452 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]4(C)CC[C@@H](O)C[C@H]4C[C@H]3O Amb2712151 [1,1,0,0,0,0|0,0,0]=2 46 B31R4.3579412452 C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C Amb34915026 [1,1,0,0,0,0|0,0,1]=3 47 B31R4.3579412452 [C@@H]12C[C@H](O)CC[C@]1(C)C3CC[C@@]4(C)C(CC[C@@H]4[C@@H](C)CCC(=O)O)C3[C@H](O)C2 Amb17779156 [1,1,0,0,0,0|0,0,0]=2 48 B31R4.3579412452 [C@H]12CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]3[C@@H]1[C@@H](O)CC4C[C@@H](O)CC[C@@]42C Amb17678814 [1,1,0,0,0,0|0,0,0]=2 49 B31R4.3395202660 COC(=O)CC[C@H](C)[C@H]1CCC2C3CC[C@@H]4CCCC[C@]4(C)C3CC(=O)[C@@]21C Amb2387475 [1,1,0,0,0,0|0,0,2]=4 50 B31R4.3395202660 COC(=O)CC[C@H](C)[C@H]1CCC2C3CC[C@@H]4CCCC[C@]4(C)C3C[C@H](O)[C@@]21C Amb28463779 [1,1,0,0,0,0|0,0,0]=2 51 B33R4.2673725966 CC(CCS(=O)(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C Amb22261598 [0,2,0,0,0,0|1,0,1]=4 52 B33R4.2673725966 CC(CCS(=O)(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C Amb28993953 [0,2,0,0,0,0|1,0,1]=4 53 B33R4.2673725966 [C@@H]12C[C@H](O)CC[C@]1(C)C3C[C@H](O)[C@@]4(C)C(CC[C@@H]4[C@@H](C)CCC(O)(Cl)Cl)C3[C@H](O)C2 Amb17779142 [0,2,0,0,0,0|1,0,1]=4 54 B33R4.2673813964 C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C Amb32411864 [0,2,0,0,0,0|0,0,0]=2 55 B33R4.3141891710 COC(=O)CCC(=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C Amb22261548 [0,2,0,0,0,0|1,0,1]=4 56 B33R4.3141891710 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C Amb33858454 [0,2,0,0,0,0|0,0,1]=3 57 B33R4.3141891710 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]4(C)CC[C@@H](O)C[C@H]4C[C@H]3O Amb34916016 [0,2,0,0,0,0|0,0,0]=2 58 B33R4.3141891710 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]4(C)CC[C@@H](O)C[C@H]4C[C@H]3O Amb10241330 [0,2,0,0,0,0|0,0,0]=2 59 B33R4.3141891710 COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C Amb22746189 [0,2,0,0,0,0|0,0,1]=3 60 B33R4.3141891710 COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C Amb29085487 [0,2,0,0,0,0|0,0,0]=2 61 B33R4.3141891710 C[C@@H](CCC(=O)O[Na])[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C Amb18511756 [0,2,0,0,0,0|0,0,0]=2