Index	SMILES	Probability	Label
Compound_1	CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C	0.98	1.0
Compound_2	Nc1ccc(cc1)Cc1ccc(cc1)N	0.99	1.0
Compound_3	Nc1ccc(cc1)Oc1ccc(cc1)N	0.99	1.0
Compound_4	c1ccc(cc1)Cc1ccccc1	0.95	1.0
Compound_5	C1CCC(CC1)NC1CCCCC1	0.29	0.0
Compound_6	c1ccc(cc1)Oc1ccccc1	0.99	1.0
Compound_7	CCCCCC/C(=C\c1ccccc1)/C=O	0.66	1.0
Compound_8	NC(=Nc1ccccc1)Nc1ccccc1	0.21	0.0
Compound_9	N#CC(C(=O)N)(Br)Br	0.95	1.0
Compound_10	CCNc1cccc(c1)C	0.66	1.0
Compound_11	Cl[C@H]1[C@H]2O[C@H]2[C@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl	0.23	0.0
Compound_12	COP(=O)(SC)N	0.71	1.0
Compound_13	N#Cc1ccc(cc1)C1CCCc2n1cnc2	0.94	1.0
Compound_14	OCCN(CCO)CCO	0.75	1.0
Compound_15	CC(=O)OC(COC(=O)C)COC(=O)C	0.41	0.0
Compound_16	O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F	0.83	1.0
Compound_17	CCCCC(COC(=O)C)CC	0.95	1.0
Compound_18	ClC1=C(Cl)C2(C(C1(Cl)C1C2COS(=O)(=O)OC1)(Cl)Cl)Cl	0.97	1.0
Compound_19	CCCCC(COC(=O)C=C)CC	1.0	1.0
Compound_20	CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC	0.12	0.0
Compound_21	CCCCC(COC(=O)CCCCCCCC(=O)OCC(CCCC)CC)CC	0.11	0.0
Compound_22	O1CCN(CC1)SSN1CCOCC1	0.59	1.0
Compound_23	C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2	0.1	0.0
Compound_24	CCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O	0.94	1.0
Compound_25	O=C(/C=C/c1ccccc1)OCc1ccccc1	0.97	1.0
Compound_26	CCCc1ccccc1	0.91	1.0
Compound_27	CCNc1ccccc1	0.72	1.0
Compound_28	OCCN1CCNCC1	0.18	0.0
Compound_29	CC(=O)Nc1ccc(cc1)O	0.91	1.0
Compound_30	Cc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C	0.04	0.0
Compound_31	CCCCc1ccc(cc1)N	0.95	1.0
Compound_32	O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C	0.77	1.0
Compound_33	CCCCCCCCCc1ccc(cc1)O	0.97	1.0
Compound_34	CCCCCCCCCCCCc1ccc(cc1)O	0.97	1.0
Compound_35	CCCc1ccc(cc1)OC	0.92	1.0
Compound_36	CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C	0.53	1.0
Compound_37	OC/C=C/c1ccccc1	0.82	1.0
Compound_38	CCCCCC1CCC(=O)O1	0.86	1.0
Compound_39	C(Oc1ccccc1)COc1ccccc1	0.99	1.0
Compound_40	CCCCCCCC1CCC(=O)O1	0.88	1.0