Index	SMILES	Probability	Label
Compound_1	CCCCCC/C=C/CCCCCCCC(=O)O	0.59	1.0
Compound_2	ClP(Cl)(Cl)(Cl)Cl	0.98	1.0
Compound_3	ClP(=O)(Cl)Cl	0.98	1.0
Compound_4	[O-]S(=O)(=O)[O-]	0.35	0.0
Compound_5	[O-]S(=O)(=O)[O-]	0.35	0.0
Compound_6	O	0.96	1.0
Compound_7	OS(=O)(=O)O	0.35	0.0
Compound_8	I[Hg]I	0.99	1.0
Compound_9	NC1[C@@H]2[C@H]1CN(C2)c1nc2c(cc1F)c(=O)c(cn2c1ccc(cc1F)F)C(=O)O	0.01	0.0
Compound_10	Fc1cccc(c1)COc1ccc(cc1Cl)Nc1ncnc2c1cc(cc2)c1ccc(o1)CNCCS(=O)(=O)C	0.03	0.0
Compound_11	O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C	0.77	1.0
Compound_12	COP(OC)OC	0.94	1.0
Compound_13	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	0.93	1.0
Compound_14	COP(=O)(SC)N	0.71	1.0
Compound_15	COCCOC(=O)CC#N	0.93	1.0
Compound_16	COCCO[Si](OCCOC)(OCCOC)C=C	0.83	1.0
Compound_17	COCCl	0.92	1.0
Compound_18	COc1cccc2c1cc(N(=O)=O)c1c2c2OCOc2cc1C(=O)[O-]	0.89	1.0
Compound_19	COc1cccc(c1O)O	0.98	1.0
Compound_20	COc1ccc(cc1)Nc1ccc(cc1)OC	0.99	1.0
Compound_21	COc1ccc(cc1)N	0.97	1.0
Compound_22	OCc1ccc(cc1)OC	0.98	1.0
Compound_23	COc1ccc(cc1)C(=O)OC	0.91	1.0
Compound_24	COc1ccc(cc1)C(=O)/C(=C\C(=O)O)/Br	0.75	1.0
Compound_25	COc1ccc(cc1)C(=O)/C(=C\C(=O)[O-])/Br	0.9	1.0