Index	SMILES	Probability	Label
Compound_1	Nc1ccc(cc1)Cl	0.93	1.0
Compound_2	Nc1ccc(cc1)Br	0.97	1.0
Compound_3	Nc1ccc(cc1)N(=O)=O	0.96	1.0
Compound_4	Clc1ccc(cc1)Cl	0.99	1.0
Compound_5	OC[C@H]1O[C@@H](OCCc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	0.36	0.0
Compound_6	OCCc1ccc(cc1)N(=O)=O	0.69	1.0
Compound_7	OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl	0.02	0.0
Compound_8	ClCc1ccc(cc1)N(=O)=O	0.82	1.0
Compound_9	O=C=Nc1ccc(cc1)Cc1ccc(cc1)N=C=O	0.66	1.0
Compound_10	Nc1ccc(cc1)Cc1ccc(cc1)N	0.99	1.0
Compound_11	BrCc1ccc(cc1)N(=O)=O	0.92	1.0
Compound_12	Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O	0.99	1.0
Compound_13	Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O	0.99	1.0
Compound_14	O=Cc1ccc(cc1)Cl	0.97	1.0
Compound_15	NCC(c1ccc(cc1)O)O	0.0	0.0
Compound_16	OC(=O)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl	0.92	1.0
Compound_17	N#CC(c1c(Cl)cc(cc1Cl)n1ncc(=O)[nH]c1=O)c1ccc(cc1)Cl	0.04	0.0
Compound_18	OC(=O)c1ccc(cc1)C(=O)O	0.69	1.0
Compound_19	Cl[Hg]c1ccc(cc1)C(=O)O	0.97	1.0
Compound_20	OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(N)nc(n2)N	0.01	0.0
Compound_21	ClC(=O)c1ccc(cc1)C(=O)Cl	0.99	1.0
Compound_22	NC(=N)c1ccc(cc1)OCCCOc1ccc(cc1)C(=N)N	0.18	0.0
Compound_23	Brc1ccc(cc1)Br	1.0	1.0
Compound_24	O=N(=O)c1ccc(cc1)Oc1ccc(cc1)N(=O)=O	0.98	1.0
Compound_25	Oc1ccc(cc1)N(=O)=O	0.99	1.0
Compound_26	Clc1ccc(cc1)N(=O)=O	0.91	1.0
Compound_27	OCCOc1cccc(c1)OCCO	0.89	1.0
Compound_28	Brc1cc(Br)c(c(c1)C(=O)Nc1cccc(c1)C(F)(F)F)O	0.35	0.0
Compound_29	ClCC#CCOC(=O)Nc1cccc(c1)Cl	0.91	1.0
Compound_30	O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)N(=O)=O)O)N(=O)=O	0.95	1.0
Compound_31	[O-]C(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N	0.1	0.0
Compound_32	Clc1cc(Cl)c(c(c1)C(=O)Nc1ccc(c(c1)Cl)Cl)O	0.93	1.0
Compound_33	O=C=Nc1ccc(c(c1)Cl)Cl	0.32	0.0
Compound_34	Nc1ccc(c(c1)Cl)N	0.97	1.0
Compound_35	N#Cc1ccc(cc1C(F)(F)F)N(CC(F)(F)F)CC(=O)N	0.06	0.0
Compound_36	Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl	0.92	1.0
Compound_37	Clc1ccc(c(c1)O)Oc1ccc(cc1Cl)Cl	0.99	1.0
Compound_38	[O-]C(=O)CCCOc1ccc(cc1Cl)Cl	0.62	1.0
Compound_39	OC(=O)COc1ccc(cc1Cl)Cl	0.66	1.0
Compound_40	OC(=O)COc1ccc(cc1Cl)Cl	0.66	1.0
Compound_41	Clc1ccc(c(c1)C(=O)O)Cl	0.95	1.0
Compound_42	Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N	0.99	1.0
Compound_43	Fc1ccc(c(c1)F)c1ccc(c(c1)C(=O)O)O	0.04	0.0
Compound_44	Clc1cc(ccc1Oc1ccc(c(c1)C(=O)O)N(=O)=O)C(F)(F)F	0.84	1.0
Compound_45	Oc1ccc(c(c1)O)C(=O)c1ccc(c(c1)O)O	0.99	1.0
Compound_46	Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br	1.0	1.0
Compound_47	Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)N(=O)=O)O	0.24	0.0
Compound_48	O=N(=O)c1ccc(c(c1)N(=O)=O)Cl	0.68	1.0