Index	SMILES	Probability	Label
Compound_1	COc1ccc(cc1)C(=O)C	0.94	1.0
Compound_2	COP(=S)(OC)N	0.85	1.0
Compound_3	COP(=O)(OC)O	0.31	0.0
Compound_4	COP(=O)(SC)N	0.71	1.0
Compound_5	COCCO	0.99	1.0
Compound_6	COCCl	0.92	1.0
Compound_7	COCC(=O)O	0.96	1.0
Compound_8	O=Cc1ccccc1OC	0.98	1.0
Compound_9	COc1ccc(cc1)O	0.95	1.0
Compound_10	COc1ccc(cc1)N	0.97	1.0
Compound_11	OCc1ccc(cc1)OC	0.98	1.0
Compound_12	COC(=O)Nc1nc2c([nH]1)cccc2	0.89	1.0
Compound_13	COC(=O)Cc1ccccc1	0.96	1.0
Compound_14	COC(=O)c1ccc(cc1)C=O	0.97	1.0
Compound_15	COC(=O)c1ccc(cc1)N(=O)=O	0.97	1.0
Compound_16	COC(=O)/C=C/c1ccccc1	0.96	1.0
Compound_17	CNC(=S)NC	0.61	1.0
Compound_18	CN1CN(C)CN(C1)C	0.21	0.0
Compound_19	CN1CCOCC1	0.3	0.0
Compound_20	CN1CCN(CC1)C	0.16	0.0
Compound_21	Cn1[nH]nnc1=S	0.59	1.0
Compound_22	OCCN(C)C	0.68	1.0
Compound_23	CN(c1ccncc1)C	0.38	0.0
Compound_24	O=Cc1ccc(cc1)N(C)C	0.87	1.0
Compound_25	CN(C(=O)Nc1ccccc1)C	0.85	1.0
Compound_26	CN(C(=O)Cl)C	0.87	1.0
Compound_27	OCCOCC	0.99	1.0
Compound_28	OCCNCC	0.91	1.0
Compound_29	CCNc1nc(N)nc(n1)Cl	0.92	1.0
Compound_30	CCNc1ccccc1	0.71	1.0
Compound_31	CCNc1cccc(c1)C	0.66	1.0
Compound_32	CCN(C(=O)Cl)CC	0.74	1.0
Compound_33	CCCCOC=C	0.99	1.0
Compound_34	CCCCO	0.99	1.0
Compound_35	CCCCN	0.64	1.0
Compound_36	CCCCC1CCC(=O)O1	0.92	1.0
Compound_37	CCCCc1ccccc1	0.1	0.0
Compound_38	CCCCC=O	0.97	1.0
Compound_39	CCCCC(=O)O	0.57	1.0
Compound_40	CCCC1CCC(=O)O1	0.89	1.0
Compound_41	CCCc1ccccc1	0.91	1.0
Compound_42	CCCc1ccc(cc1)O	0.98	1.0
Compound_43	CCCc1cc(=O)[nH]c(=S)[nH]1	0.88	1.0
Compound_44	CCCC=NO	0.55	1.0
Compound_45	CCCC(C#C)O	0.86	1.0
Compound_46	CCCC(=O)O	0.34	0.0
Compound_47	CCCC(=O)C	0.86	1.0
Compound_48	CCC1CCC(=O)O1	0.87	1.0
Compound_49	CCc1nccc(c1)C(=S)N	0.02	0.0
Compound_50	CCc1ccc(nc1)C	0.9	1.0