Index	SMILES	Probability	Label
Compound_1	COCCl	0.92	1.0
Compound_2	CC(CC(O)(C)C)O	0.73	1.0
Compound_3	C[Si](O[Si](C)(C)C)(C)C	0.27	0.0
Compound_4	C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C	0.08	0.0
Compound_5	Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O	0.13	0.0
Compound_6	CC(CC(C#C)(O)C)C	0.71	1.0
Compound_7	O=C(c1c(Cl)ccc(c1Cl)C(F)(F)F)N[C@@H]([C@@H]1CN2CCC1CC2)c1ccccc1	0.09	0.0
Compound_8	OC(=O)C1CCC(CC1)C(=O)O	0.34	0.0
Compound_9	O=CCC(CCCC(O)(C)C)C	0.29	0.0
Compound_10	CCCC(=O)C	0.86	1.0
Compound_11	OCCC(O)C	0.84	1.0
Compound_12	CCCC(=O)O	0.34	0.0
Compound_13	COCC(O)C	0.97	1.0
Compound_14	OCCN(C)C	0.68	1.0
Compound_15	CC(CC(O)C)C	0.57	1.0
Compound_16	CC(OC(=O)C)C	0.92	1.0
Compound_17	CC1COC(=O)O1	0.94	1.0
Compound_18	Cc1cccc(c1)C	0.99	1.0
Compound_19	Cc1cccc(c1)O	0.95	1.0
Compound_20	CCC(C(CCOC(=O)C)C)CC	0.94	1.0
Compound_21	Cc1cccc(c1)N	0.99	1.0
Compound_22	Nc1cccc(c1)N	0.95	1.0
Compound_23	Oc1cccc(c1)O	0.97	1.0
Compound_24	CCCCCCCOC(=O)c1ccc(cc1)O	0.99	1.0
Compound_25	COC(=O)CC(=O)OC	0.65	1.0
Compound_26	Cc1cc(C)cc(c1)O	0.97	1.0
Compound_27	Clc1nc(Cl)nc(n1)Cl	0.98	1.0
Compound_28	O=c1[nH]c(=O)[nH]c(=O)[nH]1	0.03	0.0
Compound_29	NC1CCCCC1	0.17	0.0
Compound_30	OC1CCCCC1	0.88	1.0
Compound_31	O=C1CCCCC1	0.96	1.0
Compound_32	Oc1ccccc1	0.96	1.0
Compound_33	Sc1ccccc1	0.98	1.0
Compound_34	CCCCOC(=O)CCCCCCCCC(=O)OCCCC	0.92	1.0
Compound_35	CCCCNC(=S)NCCCC	0.59	1.0
Compound_36	CCCCC(=O)O	0.57	1.0
Compound_37	NCCCN(C)C	0.19	0.0
Compound_38	CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N(C)C)C	0.02	0.0
Compound_39	N#CCC#N	0.83	1.0
Compound_40	COCCO	0.99	1.0
Compound_41	CC(OOC(C)(C)C)(C)C	0.94	1.0
Compound_42	CC(CCC(=O)C)C	0.68	1.0
Compound_43	OC(=O)CCC(=O)O	0.05	0.0
Compound_44	OC(=O)/C=C\C(=O)O	0.15	0.0
Compound_45	OC(=O)/C=C/C(=O)O	0.16	0.0
Compound_46	CCCCCCCC/C=C\CCCCCCCC(=O)N(CC(=O)O)C	0.14	0.0
Compound_47	C=CC(=O)NCNC(=O)C=C	0.79	1.0
Compound_48	CCCCCCCCCCCCCC(=O)OC(C)C	0.91	1.0
Compound_49	CCCCCCCCCC(=O)OC	0.95	1.0
Compound_50	CCCCCC(=O)C	0.93	1.0
Compound_51	C/C=C/C=C/C(=O)O	0.88	1.0
Compound_52	COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl	0.92	1.0
Compound_53	CCCCC=O	0.97	1.0
Compound_54	OCCCCO	0.94	1.0
Compound_55	OCC#CCO	0.9	1.0
Compound_56	CCCC=NO	0.55	1.0
Compound_57	OCCNCC	0.91	1.0
Compound_58	OCCOCC	0.99	1.0
Compound_59	N1CCNCC1	0.02	0.0
Compound_60	C1COC=CC1	0.96	1.0