0 B19R1.53618 CCCCCCCOC1OC(C(C(C1O)O)O)CO MCULE-9313246034 [0,0,0,0,0,0|0,0,0]=0 1 B19R1.53618 CCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-6043319750 [0,0,0,0,0,0|0,0,0]=0 2 B19R1.53618 CCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-6899785533 [0,0,0,0,0,0|0,0,0]=0 3 B19R1.53618 CCCCCCCSC1OC(C(C(C1O)O)O)CO MCULE-2029113652 [0,0,0,0,0,0|0,1,0]=1 4 B19R1.53618 CCCCCCCS[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-7647913602 [0,0,0,0,0,0|0,1,0]=1 5 B18R1.35378 CC/C=C\CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-7318989687 [1,0,0,0,0,0|0,0,2]=3 6 B18R1.35378 CCC=CCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-3816207915 [1,0,0,0,0,0|0,0,2]=3 7 B18R1.35378 CCCCCCOC1OC(C(C(C1O)O)O)CO MCULE-9839640426 [1,0,0,0,0,0|0,0,0]=1 8 B18R1.35378 CCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-8433345996 [1,0,0,0,0,0|0,0,0]=1 9 B18R1.35378 CCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-9146461009 [1,0,0,0,0,0|0,0,0]=1 10 B18R1.35378 CCCCCCSC1OC(C(C(C1O)O)O)CO MCULE-4942076727 [1,0,0,0,0,0|0,1,0]=2 11 B20R1.17332 CCCCCCCCOC1OC(C(C(C1O)O)O)CO MCULE-2019552419 [0,1,0,0,0,0|0,0,0]=1 12 B20R1.17332 CCCCCCCCOC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-2851684857 [0,1,0,0,0,0|0,0,0]=1 13 B20R1.17332 CCCCCCCCOC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-8793059759 [0,1,0,0,0,0|0,0,0]=1 14 B20R1.17332 CCCCCCCCO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-4407100556 [0,1,0,0,0,0|0,0,0]=1 15 B20R1.17332 CCCCCCCCO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-5008327640 [0,1,0,0,0,0|0,0,0]=1 16 B20R1.17332 CCCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO MCULE-3632548885 [0,1,0,0,0,0|0,0,0]=1 17 B20R1.17332 CCCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-2215255114 [0,1,0,0,0,0|0,0,0]=1 18 B20R1.17332 CCCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-9090233102 [0,1,0,0,0,0|0,0,0]=1 19 B20R1.17332 CCCCCCCCO[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-1041392992 [0,1,0,0,0,0|0,0,0]=1 20 B20R1.17332 CCCCCCCCO[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-1541302607 [0,1,0,0,0,0|0,0,0]=1 21 B20R1.17332 CCCCCCCCO[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO MCULE-4144279026 [0,1,0,0,0,0|0,0,0]=1 22 B20R1.17332 CCCCCCCCO[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO MCULE-9306934635 [0,1,0,0,0,0|0,0,0]=1 23 B20R1.17332 CCCCCCCCO[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-5075824332 [0,1,0,0,0,0|0,0,0]=1 24 B20R1.17332 CCCCCCCCSC1OC(C(C(C1O)O)O)CO MCULE-3089654029 [0,1,0,0,0,0|0,1,0]=2 25 B20R1.17332 CCCCCCCCS[C@@H]1OC([C@H]([C@H](C1O)O)O)CO MCULE-9330950664 [0,1,0,0,0,0|0,1,0]=2 26 B20R1.17332 CCCCCCCCS[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-4954452189 [0,1,0,0,0,0|0,1,0]=2 27 B20R1.17332 CCCCCCCCS[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-1289096435 [0,1,0,0,0,0|0,1,0]=2 28 B20R1.17332 CCCCCCCCS[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-3364003892 [0,1,0,0,0,0|0,1,0]=2 29 B20R1.116050 NCCCCCC(=O)NC1OC(C(C(C1O)O)O)CO MCULE-4808734675 [0,1,0,0,0,0|2,0,1]=4 30 B20R1.116050 NCCCCCC(=O)N[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO MCULE-9902860946 [0,1,0,0,0,0|2,0,1]=4 31 B17R1.17264 C=CCCCOC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-7516708801 [2,0,0,0,0,0|0,0,2]=4 32 B17R1.17264 CCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-2456347206 [2,0,0,0,0,0|0,0,0]=2 33 B19R0.23019 CCCCCCCCNCC(O)C(O)C(O)C(O)CO MCULE-7183452131 [0,1,1,0,0,0|1,0,0]=3 34 B19R0.23019 CCCCCCCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-2512417173 [0,1,1,0,0,0|1,0,0]=3 35 B19R0.23019 CCCCCCCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-7838877474 [0,1,1,0,0,0|1,0,0]=3 36 B19R1.562 CC(O)CCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-2989946017 [1,1,0,0,0,0|0,0,0]=2 37 B19R1.562 CC(O)CCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-3975856684 [1,1,0,0,0,0|0,0,0]=2 38 B21R1.18555 CCCCCCCCOC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O MCULE-3160328855 [0,2,0,0,0,0|0,0,1]=3 39 B21R1.96294 CCCCC[C@@H](O)CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-2441948198 [0,2,0,0,0,0|0,0,0]=2 40 B21R1.96294 CCCCC[C@@H](O)CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-9980594808 [0,2,0,0,0,0|0,0,0]=2 41 B21R1.107254 C#CCOCCOCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-3488997041 [0,2,0,0,0,0|0,0,2]=4 42 B21R1.107254 CCCCCCCCCOC1OC(C(C(C1O)O)O)CO MCULE-9979156146 [0,2,0,0,0,0|0,0,0]=2 43 B21R1.107254 CCCCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-3558642394 [0,2,0,0,0,0|0,0,0]=2 44 B21R1.107254 CCCCCCCCCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-5115555672 [0,2,0,0,0,0|0,0,0]=2 45 B21R1.107254 CCCCCCCCCSC1OC(C(C(C1O)O)O)CO MCULE-5748908506 [0,2,0,0,0,0|0,1,0]=3 46 B21R1.107254 CCCCCCCCCS[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-5215606256 [0,2,0,0,0,0|0,1,0]=3 47 B21R1.313556 CCCCCCCC(=O)NC1OC(C(C(C1O)O)O)CO MCULE-6000769388 [0,2,0,0,0,0|1,0,0]=3 48 B21R1.313556 CCCCCCCC(=O)OC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-8750490542 [0,2,0,0,0,0|0,0,0]=2