Index	SMILES	Probability	Label
Compound_1	ClC(=O)c1ccc(cc1)C(=O)Cl	0.99	1.0
Compound_2	Oc1ccc(cc1)N(=O)=O	0.99	1.0
Compound_3	Clc1ccc(cc1)N(=O)=O	0.92	1.0
Compound_4	O=N(=O)c1ccc(cc1)N(=O)=O	0.99	1.0
Compound_5	O=N(=O)c1ccc(c(c1)Cl)N	0.86	1.0
Compound_6	Ic1cc(I)c(c(c1)I)O	0.95	1.0
Compound_7	OCC=C	0.99	1.0
Compound_8	C=Cc1ccncc1	0.96	1.0
Compound_9	C=Cc1ccccc1C=C	0.98	1.0
Compound_10	C/C(=C\c1ccccc1)/N(=O)=O	0.93	1.0
Compound_11	ClC/C=C\Cl	0.97	1.0
Compound_12	N#CC(C(=O)N)(Br)Br	0.95	1.0
Compound_13	Cl[C@H]1[C@H]2O[C@H]2[C@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl	0.13	0.0