Index	SMILES	Probability	Label
Compound_1	[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-]	0.9	1.0
Compound_2	[K]	0.99	1.0
Compound_3	[Hg]	1.0	1.0
Compound_4	Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O	0.98	1.0
Compound_5	CCCC[SnH](CCCC)CCCC	1.0	1.0
Compound_6	CCCC[SnH2]CCCC	0.99	1.0
Compound_7	O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.01	0.0
Compound_8	COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3	0.8	1.0
Compound_9	CC(CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@@H](C=C1C)O[C@@H]1[C@]3([C@]2(C)[C@@H](OC(=O)C)[C@H]1O)CO3)C	0.47	0.0
Compound_10	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@H]1[C@H]1[C@@H]2O1)(Cl)Cl)Cl	0.91	1.0
Compound_11	O[C@@H]1[C@H]2OP(=O)(O)OC[C@@H]2O[C@H]1n1c(Br)nc2c1ncnc2N	0.04	0.0
Compound_12	C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.03	0.0
Compound_13	COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O	0.59	1.0
Compound_14	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl	0.97	1.0
Compound_15	CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@H]3[C@]1(OC(=O)C)C3(C)C)C=C(C[C@]1([C@H]2C=C(C1=O)C)O)CO	0.09	0.0
Compound_16	OC[C@@H]([C@H]1OC(=C(C1=O)OP(=O)(O)O)O)O	0.01	0.0
Compound_17	OC[C@@]12[C@@H](C=C(C(=O)[C@H]1O)C)O[C@H]1[C@]3([C@]2(C)C[C@H]1O)CO3	0.86	1.0
Compound_18	OC(=O)CCCC[C@@H]1SC[C@@H]2[C@H]1NC(=O)N2	0.02	0.0
Compound_19	COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C	0.12	0.0
Compound_20	CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C	0.01	0.0