Index	SMILES	Probability	Label
Compound_1	CC(=O)SCC(C(=O)O)CC(=O)c1ccc(cc1)C	0.36	0.0
Compound_2	N#Cc1ccc(cc1)C	0.98	1.0
Compound_3	Cc1ccc(cc1)C	0.99	1.0
Compound_4	Cc1ccc(cc1)Br	0.99	1.0
Compound_5	Oc1cc(O)c2c(c1)oc(=O)cc2C	0.91	1.0
Compound_6	Oc1ccc2c(c1)oc(=O)cc2C	0.76	1.0
Compound_7	O=c1cc(C)c2c(o1)cc(cc2)N(C)C	0.82	1.0
Compound_8	Cc1cc(=O)[nH]o1	0.07	0.0
Compound_9	O=C1C=C(C)C(=O)c2c1cccc2	0.2	0.0
Compound_10	Nc1noc(c1)C	0.2	0.0
Compound_11	Cc1oc(c(c1)C(=O)C)C	0.68	1.0
Compound_12	Cc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C	0.04	0.0
Compound_13	N#CC(c1cc(C)c(cc1Cl)NC(=O)c1cc(I)cc(c1O)I)c1ccc(cc1)Cl	0.49	0.0
Compound_14	Cc1ccc(c(c1)N)O	0.97	1.0
Compound_15	Cc1ccc(c(c1)C)O	0.99	1.0
Compound_16	OC(=O)Cc1cc(C)ccc1Nc1c(F)cccc1Cl	0.01	0.0
Compound_17	COc1cc(C)ccc1C(C)C	0.87	1.0
Compound_18	COc1cc(C)c(c(c1C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	0.08	0.0
Compound_19	O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C	0.58	1.0
Compound_20	Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1	0.95	1.0
Compound_21	Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3	1.0	1.0
Compound_22	Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3	1.0	1.0