Index	SMILES	Probability	Label
Compound_1	CCc1ccc(cc1)CC	0.98	1.0
Compound_2	CCc1cnc(c(c1)C(=O)O)C(=O)O	0.01	0.0
Compound_3	CCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)O)cccc2	0.61	1.0
Compound_4	CCc1oc2c(c1C(=O)c1cc(Br)c(c(c1)Br)O)cccc2	0.39	0.0
Compound_5	CCc1cc(SCc2sc(nc2CN2CCN(CC2)c2ccc(cc2)OC)c2ccc(cc2)C(F)(F)F)ccc1OCC(=O)O	0.2	0.0
Compound_6	CCC1(Cc2c(C1)cccc2)c1cnc[nH]1	0.07	0.0
Compound_7	CCC[Si](OC)(OC)OC	0.98	1.0
Compound_8	CCCN(=O)=O	0.88	1.0
Compound_9	C=CC(=O)OCCOCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)CC	0.99	1.0
Compound_10	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC	0.91	1.0
Compound_11	CCC(Nc1ccc(cc1)NC(CC)C)C	0.61	1.0
Compound_12	NCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)CCNC(=O)CCCCC(CC)C)[C@H](O)C)CCN	0.03	0.0
Compound_13	C/C=C\1/NC(=O)C(NC(=O)c2csc(n2)C23CCC(=NC3c3csc(n3)C(NC(=O)c3nc(C(NC(=O)C4N=C1SC4)C(C(O)C)(O)C)sc3)C(C)OC(=O)c1cc(C(O)C)c3c(n1)C(O)C(C=C3)NC(C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)N2)C)C)C(CC)C)c1scc(n1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C(O)C	0.06	0.0
Compound_14	CCC(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C	0.98	1.0
Compound_15	CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1ccc(cc1Cl)Cl)(C)C	0.53	1.0
Compound_16	CCOC(=O)CC	0.91	1.0
Compound_17	CCC(=O)[N-]S(=O)(=O)c1ccc(cc1)c1c(C)onc1c1ccccc1	0.53	1.0
Compound_18	CCC(=O)/C=C/c1ccc(cc1)OC	0.96	1.0
Compound_19	CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O	0.69	1.0
Compound_20	CCC#N	0.97	1.0
Compound_21	O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl	0.04	0.0
Compound_22	Clc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1	0.02	0.0
Compound_23	Cc1ccc2c(n1)c(O)c(cc2Cl)Cl	0.38	0.0