Index	SMILES	Probability	Label
Compound_1	O=C1C(=Cc2ccc(cc2)S(=O)(=O)O)C2C(C1(C)CC2)(C)C	0.51	1.0
Compound_2	CCOc1ncc(c(=O)[nH]1)F	0.02	0.0
Compound_3	CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C	0.02	0.0
Compound_4	CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F	0.89	1.0
Compound_5	CN(CC=C(c1cccnc1)c1ccc(cc1)Br)C	0.16	0.0
Compound_6	CCOC(=O)Nc1ccc(nc1N)NCc1ccc(cc1)F	0.02	0.0
Compound_7	CC12CCC3C(O2)(CO1)CCC1C3(C)CCCC1(C)C	0.65	1.0
Compound_8	OC(=O)CCCCCCNC1c2ccccc2CCc2c1cccc2	0.01	0.0
Compound_9	OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C	0.0	0.0
Compound_10	Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2	0.0	0.0
Compound_11	COc1ccc(cc1)CC1NCCC2=C1CCCC2	0.08	0.0
Compound_12	OC(=O)C1N2C(OC1=CCO)CC2=O	0.01	0.0
Compound_13	CCCCCCCCOC(=O)c1ccc(cc1)N(C)C	0.98	1.0
Compound_14	CCCCC(CC=CC1C(O)CC(=O)C1CCCCCCC(=O)OC)(O)C	0.11	0.0
Compound_15	COc1cc(CCNCC(COc2cccc(c2)C)O)ccc1OC	0.02	0.0
Compound_16	CC1CCC(C(C1)OC(=O)C(O)C)C(C)C	0.58	1.0
Compound_17	C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC	0.0	0.0
Compound_18	Clc1ccc2c(c1)C(=NCc1n2c(C)nc1)c1ccccc1F	0.0	0.0
Compound_19	CCC(=O)N(C1(CCN(CC1)CCc1ccccc1)C(=O)OC)c1ccccc1	0.01	0.0
Compound_20	N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F	0.92	1.0
Compound_21	O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1	0.0	0.0
Compound_22	NCC1(CCCCC1)CC(=O)O	0.01	0.0
Compound_23	c1ccc(cc1)c1ccc(cc1)C(n1ccnc1)c1ccccc1	0.05	0.0