Index	SMILES	Probability	Label
Compound_1	c1ccc(cc1)SSc1ccccc1	0.98	1.0
Compound_2	CCN(CCOc1ccc(cc1)C(=C(c1ccccc1)Cl)c1ccccc1)CC	0.04	0.0
Compound_3	CCOC(=O)C1(CCN(CC1)CCC(c1ccccc1)(c1ccccc1)C#N)c1ccccc1	0.01	0.0
Compound_4	O=C1C=C(C)C(=O)C(=C1C)C	0.9	1.0
Compound_5	CCC1(O)CCC2C1(C)CCC1C2CCC2=CCCCC12	0.05	0.0
Compound_6	O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1	0.02	0.0
Compound_7	OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1	0.0	0.0
Compound_8	Nc1noc(c1)C	0.2	0.0
Compound_9	CC1CCC(C(=O)C1)C(C)C	0.38	0.0
Compound_10	COc1cc(CC(N)C)cc(c1OC)OC	0.07	0.0
Compound_11	CCCCCCCOC(=O)c1ccc(cc1)O	0.99	1.0
Compound_12	O=C1CCC2(C(=C1Cl)CCC1C2CCC2(C1CCC2O)C)C	0.89	1.0
Compound_13	C=CC(OC(=O)CC(C)C)(CCC=C(C)C)C	0.52	1.0
Compound_14	NC(=N)N1CCc2c(C1)cccc2	0.0	0.0
Compound_15	NCC(c1ccc(cc1)Cl)CC(=O)O	0.01	0.0
Compound_16	Oc1ccc(cc1)C(=O)c1ccccc1	1.0	1.0
Compound_17	C=C1CCC2OC2(CCC2C1CC2(C)C)C	0.65	1.0
Compound_18	Nc1ccccc1SSc1ccccc1N	0.94	1.0
Compound_19	O=C(c1ccc(c(c1O)O)O)c1ccccc1	0.99	1.0
Compound_20	O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1	0.03	0.0
Compound_21	O=C1C2(C)CCC(C1(C)C)C2	0.7	1.0
Compound_22	NCC1CCC(CC1)C(=O)O	0.01	0.0
Compound_23	CCNC1C2CCC(C1c1ccccc1)C2	0.02	0.0
Compound_24	COc1ncnc(c1)NS(=O)(=O)c1ccc(cc1)N	0.05	0.0
Compound_25	CNc1ccc(c2c1C(=O)c1ccccc1C2=O)N	0.87	1.0
Compound_26	CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C	0.96	1.0
Compound_27	CC12Cc3nonc3CC1CCC1C2CCC2(C1CCC2(C)O)C	0.05	0.0
Compound_28	O=CC1C(C)CC(=CC1C)C	0.59	1.0
Compound_29	CCSc1ccc2c(c1)N(CCCN1CCN(CC1)C)c1c(S2)cccc1	0.0	0.0
Compound_30	O=CC1C(C)CC(=CC1C)C	0.59	1.0
Compound_31	Oc1ccc(cc1)C(=O)c1ccc(cc1O)O	1.0	1.0
Compound_32	CC1CCC(C(C1)O)C(C)C	0.05	0.0
Compound_33	Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C	0.0	0.0
Compound_34	O=C1CCCCC1C1=CCCCC1	0.97	1.0
Compound_35	OCC(=Cc1ccccc1)C	0.73	1.0
Compound_36	CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C	0.99	1.0
Compound_37	CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1	0.03	0.0
Compound_38	OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CC(C1=CC(=O)CCC21C)F)(C)C	0.15	0.0
Compound_39	O=C1CCC2(C(=C1)CC(C1C2CCC2(C1CCC2(C)O)C)C)C	0.56	1.0
Compound_40	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	0.84	1.0
Compound_41	O=C1NCC(O1)COc1cc(C)cc(c1)C	0.01	0.0
Compound_42	CN(CCC=C1c2ccccc2OCc2c1cccc2)C	0.0	0.0
Compound_43	O=CNc1c(C)n(n(c1=O)c1ccccc1)C	0.36	0.0
Compound_44	O=C1CN=C(c2c(N1)ccc(c2)Br)c1ccccn1	0.01	0.0
Compound_45	Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1	0.0	0.0
Compound_46	CCCCCCCCOc1ccc(c(c1)O)C(=O)c1ccccc1	0.96	1.0
Compound_47	OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2O)C)C	0.26	0.0
Compound_48	N#CC=Cc1ccccc1	0.93	1.0
Compound_49	Oc1ccc(c(c1)C(C)(C)C)O	0.97	1.0
Compound_50	CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2	0.01	0.0