Index	SMILES	Probability	Label
Compound_1	CCCCCCCCCCCC(=O)N(CC(=O)[O-])C	0.22	0.0
Compound_2	Nc1ccc(cc1)N(=O)=O	0.96	1.0
Compound_3	CN(CCc1ccc(cc1)O)C	0.08	0.0
Compound_4	OC(=O)C(Cc1ccc(cc1)O)N	0.01	0.0
Compound_5	Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2=O)C	0.09	0.0
Compound_6	C#CC1(O)CCC2C1(CC)CCC1C2CCC2=CC(=O)CCC12	0.09	0.0
Compound_7	Nc1ccc(c(c1)O)C	0.87	1.0
Compound_8	CCCOC(=O)c1ccc(cc1)O	0.99	1.0
Compound_9	O=C1CCCCCCCCCCCN1	0.42	0.0
Compound_10	Nc1ccc(c(c1)C(=O)O)O	0.02	0.0
Compound_11	Oc1ncnc2c1c[nH]n2	0.21	0.0
Compound_12	OS(=O)(=O)c1ccc2c(c1)[nH]c(n2)c1ccccc1	0.85	1.0
Compound_13	CCCCC(COC(=O)c1ccccc1C(=O)O)CC	0.09	0.0
Compound_14	O=c1cc(n(n1c1ccccc1)C)C	0.08	0.0
Compound_15	Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C	0.19	0.0
Compound_16	O=C1CCC(N1C)c1cccnc1	0.06	0.0
Compound_17	CCOc1ccc(cc1)NC(=O)C	0.61	1.0
Compound_18	O=C1CCC2C(=C1)CCC1C2CCC2(C1CCC2O)C	0.16	0.0
Compound_19	CC(=O)Nc1cccc(c1)O	0.44	0.0
Compound_20	COC(=O)c1ccccc1C(=O)OC	0.92	1.0
Compound_21	C=CCc1ccc(c(c1)OC)O	0.11	0.0
Compound_22	OC(=O)C(Cc1c[nH]c2c1cccc2)N	0.01	0.0
Compound_23	Oc1ccc(cc1)S(=O)(=O)O	0.4	0.0
Compound_24	Cc1cccc(c1)N	0.99	1.0
Compound_25	CC(=O)Nc1ccccc1	0.94	1.0
Compound_26	O=C(c1ccccc1)C1CCCCC1	0.92	1.0
Compound_27	OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C	0.04	0.0
Compound_28	O=C1CC(=NN1c1ccccc1)C	0.03	0.0
Compound_29	CC(CN(CC(O)C)CC(O)C)O	0.06	0.0
Compound_30	Cc1c[nH]c2c1cccc2	1.0	1.0
Compound_31	NC(C(=O)O)CC(C)C	0.03	0.0
Compound_32	CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O	0.02	0.0
Compound_33	O=c1[nH]cnc2c1[nH]cn2	0.05	0.0
Compound_34	CCCCCCCCCCCCCC(=O)OC(C)C	0.91	1.0
Compound_35	O=C(c1ccccc1)NCC(=O)O	0.02	0.0
Compound_36	ClCCOP(=O)(OCCCl)OCCCl	0.98	1.0
Compound_37	COCC(N(c1c(C)cccc1CC)C(=O)CCl)C	0.99	1.0
Compound_38	NCC(c1ccc(cc1)O)O	0.0	0.0
Compound_39	Oc1cccc2c1nccc2	0.97	1.0
Compound_40	OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl	0.98	1.0
Compound_41	Nc1nc(NC2CC2)nc(n1)N	0.96	1.0
Compound_42	CC(=O)Nc1ccc(cc1)O	0.91	1.0
Compound_43	CCN(C(=O)c1cccnc1)CC	0.13	0.0
Compound_44	CCCCCCCCOc1ccc(c(c1)O)C(=O)c1ccccc1	0.96	1.0
Compound_45	Cc1nc(C)c(nc1C)C	0.94	1.0