Index	SMILES	Probability	Label
Compound_1	CC(COC(=O)c1ccc(cc1)O)C	0.99	1.0
Compound_2	Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O	0.97	1.0
Compound_3	Cc1ccc(cc1)/C=C/1\C(=O)C2(C(C1CC2)(C)C)C	0.97	1.0
Compound_4	Cc1ccc(cc1)/C=C\1/C(=O)C2(C(C1CC2)(C)C)C	0.97	1.0
Compound_5	Cc1ccc(cc1)/C=C\1/C(=O)[C@]2(C([C@@H]1CC2)(C)C)C	0.97	1.0
Compound_6	Cc1ccc(cc1)/C=C\1/C(=O)[C@@]2(C([C@H]1CC2)(C)C)C	0.97	1.0
Compound_7	Cc1ccc(cc1)C=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C	0.97	1.0
Compound_8	Cc1ccc(cc1)/C=C/1\C(=O)[C@@]2(C([C@H]1CC2)(C)C)C	0.97	1.0
Compound_9	CCC(C(C(CCc1ccc(cc1)O)C)C)C	0.37	0.0
Compound_10	CCC(CC(CC(CCc1ccc(cc1)O)C)C)C	0.36	0.0
Compound_11	CC(CCCCCCCCCc1ccc(cc1)O)C	0.58	1.0
Compound_12	CCCC(C(Cc1ccc(cc1)O)C)C(CCC)C	0.32	0.0
Compound_13	C=Cc1cc(C=C)c(c(c1C=C)O)C=C	0.98	1.0
Compound_14	CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C	1.0	1.0
Compound_15	CCCCOC(=O)c1ccc(cc1)O	0.99	1.0
Compound_16	CCCCCCCCCc1ccccc1OP(Oc1ccccc1CCCCCCCCC)Oc1ccccc1CCCCCCCCC	0.96	1.0
Compound_17	CCCCCCCCCc1ccc(cc1)OP(Oc1ccc(cc1)CCCCCCCCC)Oc1ccc(cc1)CCCCCCCCC	0.96	1.0
Compound_18	CCCCCCCC(c1ccc(cc1)OP(O)O)C	0.92	1.0
Compound_19	CC(c1ccc(cc1)O)(C)C	1.0	1.0
Compound_20	O=C1C(=Cc2ccccc2)C2C(C1(C)CC2)(C)C	0.97	1.0
Compound_21	O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1	0.98	1.0
Compound_22	CCC(c1ccc(cc1)O)(C)C	0.99	1.0
Compound_23	CCCCCCCc1ccc(cc1)O	0.97	1.0
Compound_24	CCC(c1ccc(cc1)O)(CC)CC	0.97	1.0
Compound_25	CCCCC(c1ccc(cc1)O)(C)C	0.88	1.0
Compound_26	CCC(C(c1ccc(cc1)O)C)(C)C	0.92	1.0
Compound_27	CCCC(C(c1ccc(cc1)O)C)C	0.64	1.0
Compound_28	CC(c1ccc(cc1)O)CC(C)(C)C	0.99	1.0
Compound_29	CCC(CC(c1ccc(cc1)O)C)C	0.86	1.0
Compound_30	CC(c1ccc(cc1)O)CCC(C)C	0.87	1.0
Compound_31	CCC(C(C)(C)C)c1ccc(cc1)O	0.96	1.0
Compound_32	CCCC(c1ccc(cc1)O)(CC)C	0.73	1.0
Compound_33	CCCCC(c1ccc(cc1)O)CC	0.04	0.0
Compound_34	CCCCCC(c1ccc(cc1)O)C	0.58	1.0
Compound_35	CCCC(c1ccc(cc1)O)CCC	0.75	1.0
Compound_36	CCC(CCc1ccc(cc1)O)CC	0.71	1.0
Compound_37	CCCC(CCc1ccc(cc1)O)C	0.06	0.0
Compound_38	CCC(CCCc1ccc(cc1)O)C	0.05	0.0
Compound_39	CC(CCCCc1ccc(cc1)O)C	0.51	1.0
Compound_40	CC(C(c1ccc(cc1)O)C(C)C)C	0.96	1.0
Compound_41	CCC(c1ccc(cc1)O)(C(C)C)C	0.96	1.0
Compound_42	CCC(C(c1ccc(cc1)O)(C)C)C	0.94	1.0
Compound_43	CC(CC(c1ccc(cc1)O)(C)C)C	0.99	1.0
Compound_44	CC(C(C)(C)C)(c1ccc(cc1)O)C	1.0	1.0
Compound_45	CCC(c1ccc(cc1)O)CC(C)C	0.82	1.0
Compound_46	CC(c1ccc(cc1)O)(c1ccc(cc1)O)C	1.0	1.0
Compound_47	CCCCCCCCCc1ccc(cc1)OCCOCCO	0.99	1.0
Compound_48	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCO	0.99	1.0
Compound_49	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCO	0.99	1.0
Compound_50	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.99	1.0
Compound_51	OCCOCCOc1ccc(cc1)C(CCC(C)C)(CC)C	0.7	1.0
Compound_52	CCCCCCCCCc1ccc(cc1)OCCO	0.99	1.0
Compound_53	CCCCCCCCCc1ccccc1OCCOCCO	0.97	1.0
Compound_54	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_55	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCO	0.99	1.0
Compound_56	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_57	OCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)CCCCCCCC	0.99	1.0
Compound_58	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_59	CCCCCCC(c1ccc(cc1)OCCOCCO)(C)C	0.69	1.0
Compound_60	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCO	0.99	1.0
Compound_61	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCO	0.97	1.0
Compound_62	OCCOc1ccc(cc1)C(CCC(C)C)(CC)C	0.76	1.0
Compound_63	CCOc1ccc(cc1)CCCCCCC(C)C	0.74	1.0
Compound_64	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCO	0.99	1.0
Compound_65	OCCOc1ccccc1CCCCCCC(C)C	0.78	1.0
Compound_66	CCCCCCCCCc1ccccc1OCCO	0.98	1.0
Compound_67	OCCOCCOCCOCCOCCOCCOCCOc1ccccc1CCCCCCC(C)C	0.9	1.0
Compound_68	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_69	CCCCCCCC(c1ccc(cc1)O)C	0.06	0.0
Compound_70	CCCCCC(c1ccc(cc1)O)(CC)C	0.87	1.0
Compound_71	CCCCCCCCCc1ccc(cc1)O	0.97	1.0
Compound_72	CCC(c1ccc(cc1)O)(CCC(C)C)C	0.65	1.0
Compound_73	CCC(CC(c1ccc(cc1)O)(CC)C)C	0.87	1.0
Compound_74	CCCCCCC(c1ccc(cc1)O)(C)C	0.87	1.0
Compound_75	CC(CCCCCCc1ccc(cc1)O)C	0.53	1.0
Compound_76	CCCCC(C(c1ccc(cc1)O)C)CC	0.32	0.0
Compound_77	CC(CCCC(c1ccc(cc1)O)(C)C)C	0.78	1.0
Compound_78	CCCCCCCCCc1ccccc1O	0.11	0.0
Compound_79	CC(CCCCCCc1ccccc1O)C	0.86	1.0
Compound_80	OCCOc1ccc(cc1)C(CC(C)(C)C)(C)C	0.16	0.0
Compound_81	OCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C	0.72	1.0
Compound_82	OCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C	0.68	1.0
Compound_83	CC(c1ccc(cc1)O)(CC(C)(C)C)C	0.99	1.0
Compound_84	CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C	0.1	0.0
Compound_85	CCCCOC(=O)c1ccccc1C(=O)OCCCC	0.92	1.0
Compound_86	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC	0.98	1.0
Compound_87	CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1	0.94	1.0
Compound_88	CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C	0.01	0.0
Compound_89	CNC(=O)Oc1cccc2c1cccc2	0.84	1.0
Compound_90	N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl	0.98	1.0
Compound_91	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.97	1.0
Compound_92	COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC	0.98	1.0
Compound_93	N#Cc1c(Cl)cccc1Cl	0.98	1.0
Compound_94	CNC(=O)CSP(=S)(OC)OC	0.88	1.0
Compound_95	CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C	0.96	1.0
Compound_96	ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl	0.84	1.0
Compound_97	CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C	0.83	1.0
Compound_98	CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C	0.95	1.0
Compound_99	COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C	0.76	1.0
Compound_100	CSc1nnc(c(=O)n1N)C(C)(C)C	0.11	0.0
Compound_101	CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N	0.11	0.0
Compound_102	Oc1ccccc1c1ccccc1	0.98	1.0
Compound_103	Clc1c(Cl)c(N(=O)=O)c(c(c1Cl)Cl)Cl	0.17	0.0
Compound_104	C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C	0.9	1.0
Compound_105	CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl	0.07	0.0
Compound_106	Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O	0.13	0.0