Index	SMILES	Probability	Label
Compound_1	O=S1OC[C@@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.99	1.0
Compound_2	O=S1OC[C@@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.99	1.0
Compound_3	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@H]1[C@H]1[C@@H]2O1)(Cl)Cl)Cl	0.91	1.0
Compound_4	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@@H]2C[C@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl	0.91	1.0
Compound_5	Cl[C@H]1C[C@@H]2[C@H]([C@@H]1Cl)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.96	1.0
Compound_6	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	0.25	0.0
Compound_7	ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl	0.96	1.0
Compound_8	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	0.96	1.0
Compound_9	Clc1ccc(cc1)C(=C(Cl)Cl)c1ccccc1Cl	0.95	1.0
Compound_10	Clc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccccc1Cl	0.85	1.0
Compound_11	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	0.95	1.0
Compound_12	COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC	0.99	1.0
Compound_13	ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl	0.09	0.0
Compound_14	ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl	0.09	0.0
Compound_15	ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl	0.09	0.0
Compound_16	ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl	0.09	0.0
Compound_17	OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl	0.97	1.0
Compound_18	O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C	0.31	0.0
Compound_19	Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl	0.99	1.0