Index	SMILES	Probability	Label
Compound_1	OC(=O)C(c1ccc2c(c1)nc(o2)c1ccc(cc1)Cl)C	0.77	1.0
Compound_2	COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C	0.17	0.0
Compound_3	COCCc1ccc(cc1)OCC(CNC(C)C)O	0.0	0.0
Compound_4	O=CC1CCC=C(C1)CCCC(O)(C)C	0.15	0.0
Compound_5	N#CNC(=NC)NCCSCc1nc[nH]c1C	0.0	0.0
Compound_6	CC(CC#N)CCC=C(C)C	0.26	0.0
Compound_7	OC(COc1cccc2c1CCC(=O)N2)CNC(C)(C)C	0.0	0.0
Compound_8	CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1	0.0	0.0
Compound_9	COc1cc(NCc2ccc3c(c2C)c(N)nc(n3)N)cc(c1OC)OC	0.12	0.0
Compound_10	CNCC(c1ccc(c(c1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O	0.0	0.0
Compound_11	Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)CC=Cc1ccccc1	0.01	0.0