Index	SMILES	Probability	Label
Compound_1	Cc1c(C)cccc1O	0.99	1.0
Compound_2	Nc1c(C)cccc1N	0.79	1.0
Compound_3	O=N(=O)c1cccc(c1C)C	0.96	1.0
Compound_4	O=N(=O)c1c(C)cccc1N(=O)=O	0.97	1.0
Compound_5	C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl	0.91	1.0
Compound_6	O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCCCC1	0.08	0.0
Compound_7	OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl	0.59	1.0
Compound_8	O=C1C2=C(OC(CC2)(C)C)c2c(C1=O)cccc2	0.38	0.0
Compound_9	OC(=O)c1ccc(cc1)C1(OCCO1)c1ccc2c(c1)C(C)(C)CCC2(C)C	0.12	0.0
Compound_10	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br	0.98	1.0
Compound_11	OCN1C(=O)NC(=O)C1(C)C	0.06	0.0
Compound_12	O=C1NC(=O)C(N1)(C)C	0.15	0.0
Compound_13	ClN1C(=O)N(C(C1=O)(C)C)Cl	0.81	1.0
Compound_14	BrN1C(=O)N(C(C1=O)(C)C)Cl	0.91	1.0
Compound_15	ClN1C(=O)N(C(C1=O)(C)C)Br	0.9	1.0
Compound_16	BrN1C(=O)N(C(C1=O)(C)C)Br	0.78	1.0
Compound_17	CC=O	0.99	1.0
Compound_18	CC=C1CC2CC1C=C2	0.77	1.0
Compound_19	CC=C(C(=O)C)C	0.92	1.0
Compound_20	CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O	0.97	1.0