Index	SMILES	Probability	Label
Compound_1	CC1=C(C)S(=O)(=O)CCS1(=O)=O	0.59	1.0
Compound_2	Clc1ccc(cc1)c1nc(c(o1)COC(C(=O)O)(C)C)C	0.46	0.0
Compound_3	OC(=O)CCn1ccc2c1cccc2OCCc1nc(oc1C)c1ccccc1	0.12	0.0
Compound_4	OC(=O)[C@@H](Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1	0.04	0.0
Compound_5	[O-]C(=O)Cc1cc(c(n1C)C(=O)c1ccc(cc1)Cl)C	0.03	0.0
Compound_6	COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C	0.04	0.0
Compound_7	O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C	0.05	0.0
Compound_8	Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O	0.98	1.0
Compound_9	O=S(c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F	0.02	0.0
Compound_10	OC(=O)COc1ccc(cc1C)SCc1sc(nc1C)c1ccc(c(c1)F)C(F)(F)F	0.38	0.0
Compound_11	COc1ccc(c(c1)C)N	0.98	1.0
Compound_12	Oc1ccc(c(c1)C)O	0.99	1.0
Compound_13	Oc1ccc(c(c1)C)N	0.99	1.0
Compound_14	OC(=O)COc1ccc(cc1C)Cl	0.77	1.0
Compound_15	C/C(=C/C=C/C(=C/C(=O)O)/C)/C=C/C1=C(C)CCCC1(C)C	0.05	0.0
Compound_16	O=C/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C	0.94	1.0
Compound_17	C/C(=C\C=C\C(=C/C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C	0.05	0.0
Compound_18	O=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C	0.94	1.0
Compound_19	C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C	0.02	0.0
Compound_20	C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C[C@H](CC1(C)C)O)/C)/C)/C=C/C=C(/C=C/[C@H]1C(=C[C@@H](CC1(C)C)O)C)\C	0.02	0.0
Compound_21	O[C@@H]1CC(=C(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)C[C@H](CC1(C)C)O)\C)\C)/C)/C)C	0.02	0.0
Compound_22	COC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N	0.04	0.0
Compound_23	Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2	0.0	0.0
Compound_24	OC(=O)CCCCCC(C1=C(C)C(=O)C(=C(C1=O)C)C)c1ccccc1	0.02	0.0