Index	SMILES	Probability	Label
Compound_1	CC(CCOC(=O)C=Cc1ccccc1)C	0.97	1.0
Compound_2	CC=C(C(=O)OCC(C)C)C	0.7	1.0
Compound_3	CCOC(CC(CCCC(O)(C)C)C)OCC	0.57	1.0
Compound_4	CC(OC(=O)C=Cc1ccccc1)C	0.96	1.0
Compound_5	O=C1C2(C)CCC(C1(C)C)C2	0.7	1.0
Compound_6	O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2	0.84	1.0
Compound_7	CC(C(=O)OC(CCc1ccccc1)(C)C)C	0.84	1.0
Compound_8	CCC(COC(=O)C)CC	0.92	1.0
Compound_9	CCCCCCC(OC)OC	0.86	1.0
Compound_10	O=COC(Cc1ccccc1)(C)C	0.96	1.0
Compound_11	CCCCCCCCCCCC(=O)OC(C)C	0.9	1.0
Compound_12	COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)Cl	0.0	0.0
Compound_13	CNCCCC12CCC(c3c1cccc3)c1c2cccc1	0.05	0.0
Compound_14	CCCCC(=O)OCc1ccccc1	0.98	1.0
Compound_15	C=CCc1ccc(c(c1)OC)OC(=O)Cc1ccccc1	0.82	1.0
Compound_16	CC12Cc3cn[nH]c3CC1CCC1C2CCC2(C1CCC2(C)O)C	0.03	0.0
Compound_17	CC1COC(O1)C=C(CCC=C(C)C)C	0.16	0.0
Compound_18	N#CC(=C1CCCCC1)c1ccccc1	0.92	1.0
Compound_19	CC(CCOC(=O)Cc1ccccc1)CCCC(=C)C	0.82	1.0
Compound_20	CCC(=C(c1ccccc1)c1ccc(cc1)OCCN(C)C)c1ccccc1	0.19	0.0
Compound_21	CCCCCC(=O)OCCC(CCC=C(C)C)C	0.82	1.0
Compound_22	ClCCN(C(=O)NC1CCCCC1)N=O	0.05	0.0
Compound_23	Oc1cccc(c1)C(=O)c1ccccc1	0.99	1.0
Compound_24	CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C	0.98	1.0
Compound_25	CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O	0.0	0.0
Compound_26	CC(C12CC3CC(C2)CC(C1)C3)N	0.0	0.0
Compound_27	CC(N(C)C)CN1c2cc(ccc2Sc2c1cccc2)C(=O)C	0.01	0.0
Compound_28	CC(CC1OCCC(C1)C)C	0.63	1.0
Compound_29	OC(COc1cccc2c1cc[nH]2)CNC(C)C	0.0	0.0
Compound_30	N#CC1=C(O)C2C3(C(C1)(C)C1CCC4(C(C1CC3)CCC4O)C)O2	0.42	0.0
Compound_31	C=CCc1ccccc1OCC(CNC(C)C)O	0.0	0.0
Compound_32	COc1cc(CC(N)C)cc2c1OCO2	0.7	1.0
Compound_33	OCc1cccc(c1)Oc1ccccc1	0.98	1.0
Compound_34	Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1	0.0	0.0
Compound_35	CC1CCC(C(=O)C1)C(C)C	0.38	0.0
Compound_36	CN1CCC23C4C1Cc1c3c(OC2C(C=C4)O)c(cc1)OCc1ccccc1	0.06	0.0
Compound_37	CCCC(C1CC23C=CC1(OC)C1C43CCN(C2Cc2c4c(O1)c(O)cc2)C)(O)C	0.14	0.0
Compound_38	CC(N(CC#C)C)Cc1ccccc1	0.01	0.0
Compound_39	CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2	0.0	0.0
Compound_40	C1CN2C(=NC(C2)c2ccccc2)S1	0.02	0.0
Compound_41	CCCCCOC(=O)c1ccc(cc1)N(C)C	0.97	1.0
Compound_42	OC(c1ccccc1)C(N)C	0.01	0.0
Compound_43	CC(=O)C=CC1=C(C)CCCC1(C)C	0.96	1.0
Compound_44	O=C1C(=Cc2ccccc2)C2C(C1(C)CC2)(C)C	0.97	1.0
Compound_45	CCC(=O)n1c(=O)n(c2c1cccc2)C1CCN(CC1)CCC(c1ccccc1)(c1ccccc1)C#N	0.0	0.0
Compound_46	O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1	0.03	0.0
Compound_47	OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl	0.01	0.0
Compound_48	OCC(C(c1ccc(cc1)S(=O)(=O)C)O)NC(=O)C(Cl)Cl	0.06	0.0
Compound_49	CC1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C	0.99	1.0
Compound_50	CC1CCC(C(C1)O)C(C)C	0.05	0.0