Index	SMILES	Probability	Label
Compound_1	CCc1ccccc1C	0.97	1.0
Compound_2	CCCN(=O)=O	0.88	1.0
Compound_3	CC(C(=O)O)CC	0.64	1.0
Compound_4	CCOC(=O)CC	0.91	1.0
Compound_5	CC1OC(C)OC(O1)C	0.45	0.0
Compound_6	CC1COC(=O)O1	0.94	1.0
Compound_7	CC1CCCCC1	0.89	1.0
Compound_8	CC1CCC(=O)O1	0.75	1.0
Compound_9	CC1OC(=O)C(OC1=O)C	0.51	1.0
Compound_10	O=C1OC(=O)C2(C1=CCCC2)C	0.8	1.0
Compound_11	Cc1nn(c(c1)N)c1ccccc1	0.46	0.0
Compound_12	Cc1ccc2c(n1)cccc2	0.99	1.0
Compound_13	Cc1cnccn1	0.96	1.0
Compound_14	Cc1ccc(cn1)O	0.89	1.0
Compound_15	Cc1cccc(n1)C	0.98	1.0
Compound_16	Cc1ccncc1	0.97	1.0
Compound_17	Cc1ccc(cc1)S(=O)(=O)N	0.03	0.0
Compound_18	Cc1ccc(cc1)S	0.98	1.0
Compound_19	Cc1ccc(cc1)O	0.97	1.0
Compound_20	Cc1ccc(cc1)N	0.99	1.0
Compound_21	Cc1ccc(cc1)Cl	0.92	1.0
Compound_22	ClCc1ccc(cc1)C	0.98	1.0
Compound_23	ClC(=O)c1ccc(cc1)C	0.97	1.0
Compound_24	CC1=CC[C@@H]2C[C@H]1C2(C)C	0.93	1.0
Compound_25	Cc1cc(=O)[nH]o1	0.07	0.0
Compound_26	Cc1cccc(c1)O	0.95	1.0
Compound_27	Cc1cccc(c1)N	0.99	1.0
Compound_28	C=Cc1cccc(c1)C	0.99	1.0
Compound_29	Cc1cccc(c1)C	0.99	1.0
Compound_30	COc1cc(C)cc(c1)O	0.96	1.0
Compound_31	Cc1cc(C)cc(c1)O	0.97	1.0
Compound_32	Cc1cc(C)cc(c1)C	0.99	1.0
Compound_33	Cc1ccc(c(c1)C)O	0.99	1.0
Compound_34	Cc1ccc(c(c1)C)N(=O)=O	0.97	1.0
Compound_35	Cc1ccc2c(c1C)cccc2	0.99	1.0
Compound_36	COc1ccc(c(c1)C)N	0.98	1.0
Compound_37	O=N(=O)c1c(C)cccc1N(=O)=O	0.97	1.0
Compound_38	ClN1C(=O)N(C(C1=O)(C)C)Cl	0.81	1.0
Compound_39	ClN1C(=O)N(C(C1=O)(C)C)Br	0.9	1.0
Compound_40	COCC(O)C	0.97	1.0
Compound_41	OCC(c1ccccc1)C	0.39	0.0
Compound_42	OCCC(O)C	0.84	1.0
Compound_43	O=CC(c1ccccc1)C	0.92	1.0
Compound_44	CC(OC(=O)C)C	0.92	1.0
Compound_45	CC(Nc1nc(N)nc(n1)Cl)C	0.98	1.0
Compound_46	CC(Cc1ccccc1)C	0.97	1.0
Compound_47	CC(c1ccc(cc1)O)C	0.98	1.0
Compound_48	NC(=O)NC(C)(C)C	0.29	0.0
Compound_49	OC(=O)C(O)C	0.07	0.0
Compound_50	CC(C(=O)O)Br	0.93	1.0