0  B28R3.94142276  CC(=CC1C(C1(C)C)C(=O)OCc2cccc(c2)Oc3ccccc3)C CHEBI:34916 [0,0,0,0,0,0|2,0,0]=2
1  B28R3.94142276  CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCc2cccc(c2)Oc3ccccc3)C CHEBI:39405 [0,0,0,0,0,0|2,0,0]=2
2  B28R3.94142276  CC1(C(C1C(=O)OCc2cccc(c2)Oc3ccccc3)C=C(Cl)Cl)C CHEBI:34911 [0,0,0,0,0,0|0,0,0]=0
3  B28R3.94142276  CC1([C@H]([C@@H]1C(=O)OCc2cccc(c2)Oc3ccccc3)C=C(Cl)Cl)C CHEBI:62523 [0,0,0,0,0,0|0,0,0]=0
4  B30R3.120642734  CC(=CC1C(C1(C)C)C(=O)OC(C#N)c2cccc(c2)Oc3ccccc3)C CHEBI:31450 [0,2,0,0,0,0|2,0,0]=4
5  B30R3.120642734  CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OC(C#N)c2cccc(c2)Oc3ccccc3)C CHEBI:39341 [0,2,0,0,0,0|2,0,0]=4
6  B30R3.120642734  CC(=C[C@@H]1[C@H](C1(C)C)C(=O)O[C@@H](C#N)c2cccc(c2)Oc3ccccc3)C CHEBI:39342 [0,2,0,0,0,0|2,0,0]=4
7  B30R3.120642734  CC(=C[C@@H]1[C@H](C1(C)C)C(=O)O[C@H](C#N)c2cccc(c2)Oc3ccccc3)C CHEBI:39343 [0,2,0,0,0,0|2,0,0]=4
8  B30R3.120642734  CC1(C(C1C(=O)OC(C#N)c2cccc(c2)Oc3ccccc3)C=C(Cl)Cl)C CHEBI:4042 [0,2,0,0,0,0|0,0,0]=2
9  B30R3.120642734  CC1([C@@H]([C@@H]1C(=O)O[C@@H](C#N)c2cccc(c2)Oc3ccccc3)C=C(Cl)Cl)C CHEBI:39335 [0,2,0,0,0,0|0,0,0]=2
10  B30R3.120642734  CC1([C@@H]([C@@H]1C(=O)O[C@H](C#N)c2cccc(c2)Oc3ccccc3)C=C(Cl)Cl)C CHEBI:39339 [0,2,0,0,0,0|0,0,0]=2
11  B30R3.120642734  CC1([C@@H]([C@H]1C(=O)O[C@H](C#N)c2cccc(c2)Oc3ccccc3)C=C(Cl)Cl)C CHEBI:39338 [0,2,0,0,0,0|0,0,0]=2
12  B30R3.120642734  CC1([C@H]([C@@H]1C(=O)O[C@@H](C#N)c2cccc(c2)Oc3ccccc3)C=C(Cl)Cl)C CHEBI:39337 [0,2,0,0,0,0|0,0,0]=2
13  B30R3.120642734  CC1([C@H]([C@@H]1C(=O)O[C@H](C#N)c2cccc(c2)Oc3ccccc3)C=C(Cl)Cl)C CHEBI:39340 [0,2,0,0,0,0|0,0,0]=2
14  B30R3.120642734  CC1([C@H]([C@H]1C(=O)O[C@H](C#N)c2cccc(c2)Oc3ccccc3)C=C(Br)Br)C CHEBI:4388 [0,2,0,0,0,0|0,2,0]=4
15  B30R3.120642734  CC1([C@H]([C@H]1C(=O)O[C@H](C#N)c2cccc(c2)Oc3ccccc3)C=C(Cl)Cl)C CHEBI:39336 [0,2,0,0,0,0|0,0,0]=2