Index	SMILES	Probability	Label
Compound_1	CCn1nc(cc1C1CCN(CC1)C[C@H]1C[C@@H](C[C@@H]1c1cccc(c1)F)N([C@@H](C(=O)O)C(C)C)C)Cc1ccccc1	0.01	0.0
Compound_2	CCCCCCc1ccc(cc1)N	0.96	1.0
Compound_3	CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C	0.67	1.0
Compound_4	O=C(c1cccnc1Oc1ccc2c(c1)non2)NCc1ccc(cc1)C(O)(C)C	0.02	0.0
Compound_5	N#CCCC(C#N)(CBr)Br	0.86	1.0
Compound_6	[O-]C(=O)COc1ccc(cc1C)Cl	0.9	1.0
Compound_7	[O-]CCN(CCO)CCO	0.22	0.0
Compound_8	OC(=O)c1cccc(c1)Oc1ccccc1	0.81	1.0
Compound_9	CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)[O-])c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)[O-])CC)C=C1)Cc1cccc(c1)S(=O)(=O)[O-]	0.59	1.0
Compound_10	COc1cc(O)c(cc1S(=O)(=O)O)C(=O)c1ccccc1	0.69	1.0
Compound_11	OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C	0.02	0.0
Compound_12	CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.9	1.0
Compound_13	CCCCOc1ccc(cc1)N	0.88	1.0
Compound_14	FC(Oc1cc(ccc1OC(F)F)N(c1cccc(c1)C(=O)O)Cc1cccnc1)F	0.23	0.0
Compound_15	OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C	0.2	0.0
Compound_16	COC(=O)c1c(C)cc(c(c1O)C)O	0.95	1.0
Compound_17	Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1	0.99	1.0
Compound_18	OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	0.04	0.0
Compound_19	Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C	0.05	0.0
Compound_20	Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C	0.02	0.0