Index	SMILES	Probability	Label
Compound_1	O=c1[nH]nc2n1ccc1c2cc(c(n1)c1ccc(cc1)C1(N)CCC1)c1ccccc1	0.01	0.0
Compound_2	Oc1cccc2c1nccc2	0.97	1.0
Compound_3	OC(=O)C(CC(=O)O)(CC(=O)O)O	0.02	0.0
Compound_4	Nc1c2ccccc2nc2c1cccc2	0.74	1.0
Compound_5	[O-]C(=O)Cc1cccc(c1N)C(=O)c1ccccc1	0.11	0.0
Compound_6	NCCNC(=O)c1ccc(cn1)Cl	0.04	0.0
Compound_7	N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1	0.78	1.0