Index	SMILES	Probability	Label
Compound_1	CC(S(=O)(=O)c1cccc(c1)Oc1cccc(c1)c1ccnc2c1cccc2C(F)(F)F)C	0.94	1.0
Compound_2	OCc1cc2nc3n(c2cc1S(=O)(=O)C)CCN(C3C(C)C)c1ncc(c(n1)OC)C(F)(F)F	0.07	0.0
Compound_3	CCc1cnc2c(c1c1cccc(c1)c1cccc(c1)S(=O)(=O)C)cccc2C(F)(F)F	0.86	1.0
Compound_4	FC(Oc1nccc(c1)N1CCN(C[C@H]1C(C)C)c1ccc(c(c1)S(=O)(=O)C)F)F	0.24	0.0
Compound_5	CCN(c1ccc(cc1Cl)C(C(F)(F)F)(C(F)(F)F)O)C(c1ccccc1)COc1ccc(cc1)C(=O)OC	0.29	0.0
Compound_6	CC(=CCC[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)O)C)C	0.02	0.0
Compound_7	Clc1ccccc1c1nc(cn1c1ccc(cc1)c1cccc(c1)S(=O)(=O)C)C(F)(F)F	0.89	1.0
Compound_8	O=C(c1cccc(c1)Oc1cccc(c1)c1c(C)cnc2c1cccc2Cl)N1CCCCC1	0.31	0.0
Compound_9	Cc1nc(cc(n1)C(F)(F)F)N1Cc2c(C1C(C)C)nn(c2)c1cccc(c1)S(=O)(=O)C	0.53	1.0
Compound_10	CCN(C(c1ccccc1)(C(=O)OC)C)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O	0.37	0.0
Compound_11	CCN(c1ccc(cc1Cl)C(C(F)(F)F)(C(F)(F)F)O)C(c1ccccc1)COc1ccc(cc1)C(=O)O	0.21	0.0
Compound_12	OCc1cnc(nc1C(F)(F)F)N1CCN(C[C@H]1C(C)C)c1cc(F)c(c(c1)S(=O)(=O)C)CO	0.07	0.0
Compound_13	NC(=O)Cc1cccc(c1)OCCCN(CC(c1ccccc1)c1ccccc1)Cc1ccc(c(c1)C(F)(F)F)F	0.03	0.0
Compound_14	FC(c1cccc2c1nc(n2c1cccc(c1)Oc1cccc(c1)S(=O)(=O)C)C(F)(F)F)(F)F	0.69	1.0
Compound_15	OC(=O)COc1ccc(cc1)CNc1cccc(c1)c1c(cnc2c1cccc2C(F)(F)F)C(=O)c1ccccc1	0.02	0.0
Compound_16	Clc1cccc2c1nc(n2c1cccc(c1)Oc1cccc(c1)S(=O)(=O)C(C)C)C	0.86	1.0
Compound_17	FC(C(C(F)(F)F)(c1ccc(cc1)N(S(=O)(=O)c1ccccc1)C1CCCC1)O)(F)F	0.79	1.0
Compound_18	Oc1ccc2c(c1)[C@@]1(C)CCCC([C@@H]1CC2)(C)C(=O)NC(=O)[C@@]1(C)CCC[C@]2([C@H]1CCc1c2cc(cc1)O)C	0.17	0.0
Compound_19	OCc1c(F)cc(cc1S(=O)(=O)C)c1ccc(c(c1)F)n1cc(nc1C(c1c(F)cccc1Cl)(C)C)C(O)(C)C	0.25	0.0
Compound_20	N#Cc1cccn2c1nc(c2c1cccc(c1)Oc1cccc(c1)S(=O)(=O)C)C(C)C	0.54	1.0
Compound_21	CCN(c1ccc(cc1Cl)C(C(F)(F)F)(C(F)(F)F)O)Cc1nc(oc1C)c1cccc(c1)C(F)(F)F	0.17	0.0
Compound_22	CCCc1c(OCCCn2ncc3c2ccc(c3)CC(=O)O)ccc2c1onc2C(F)(F)F	0.12	0.0
Compound_23	OCc1ccc(cc1S(=O)(=O)C)N1CCN([C@@H](C1)C(C)C)c1ccc(nc1)C(F)(F)F	0.26	0.0
Compound_24	COC(=O)c1nn(c(c1)c1ccc(s1)c1cccc(c1)S(=O)(=O)C)c1ccccc1Cl	0.58	1.0
Compound_25	OC(=O)Cc1ccc(cc1)CNc1cccc(c1)c1c(cnc2c1cccc2C(F)(F)F)C(=O)c1ccccc1	0.01	0.0
Compound_26	CC(c1cnc2c(c1c1cccc(c1)c1cccc(c1)S(=O)(=O)C)cccc2C(F)(F)F)C	0.94	1.0