Index	SMILES	Probability	Label
Compound_1	Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1ccc(cc1)C(C)(C)C	0.89	1.0
Compound_2	NCCCN	0.19	0.0
Compound_3	CCOc1ccc(cc1c1[nH]c(=O)c2c(n1)c(CCC)nn2C)S(=O)(=O)N1CCN(CC1)CC	0.07	0.0
Compound_4	CO	0.85	1.0
Compound_5	CC(=CCc1ccc(cc1)O)C	0.53	1.0
Compound_6	COC(=O)C(=C)C#N	0.94	1.0
Compound_7	ClCOCCl	0.93	1.0
Compound_8	OC(=O)[C@H](Cc1ccc(cc1)O)N	0.01	0.0
Compound_9	CCCCC(COC(=O)c1ccc(cc1)N(=O)=O)CC	0.96	1.0
Compound_10	CN(=O)(CCC=C1c2ccccc2CCc2c1cccc2)C	0.01	0.0
Compound_11	N#CSCSc1nc2c(s1)cccc2	0.96	1.0
Compound_12	OCOc1ccccc1S(=O)(=O)O	0.58	1.0
Compound_13	ClCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl	0.04	0.0
Compound_14	CC(Cn1c(C)ncc1N(=O)=O)O	0.04	0.0
Compound_15	CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c1ccccc1)C(=O)O	0.0	0.0
Compound_16	O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl	0.78	1.0
Compound_17	Oc1cc2[nH]ccc2cc1O	0.87	1.0
Compound_18	OC(c1cc(O)cc(c1)O)CNC(C)(C)C	0.0	0.0
Compound_19	Fc1ccc(c(c1)F)C(=O)Cn1cncn1	0.58	1.0