Index	SMILES	Probability	Label
Compound_1	NNc1nncc2c1cccc2	0.02	0.0
Compound_2	Nc1n[nH]cn1	0.76	1.0
Compound_3	O=C1OC(=O)c2c1cc(cc2)C(=O)O	0.13	0.0
Compound_4	O=O	0.76	1.0
Compound_5	NC(=O)OC=C	0.53	1.0
Compound_6	CS(=O)C	0.94	1.0
Compound_7	ClCCSCCCl	0.92	1.0
Compound_8	Clc1cc2c(cc1Cl)oc1c2cc(Cl)c(c1)Cl	1.0	1.0
Compound_9	O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.99	1.0
Compound_10	Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl	0.99	1.0
Compound_11	ClC=C(Cl)Cl	0.98	1.0
Compound_12	ClC(Cl)(Cl)Cl	0.98	1.0
Compound_13	CCO	0.99	1.0
Compound_14	CC(=S)N	0.96	1.0
Compound_15	ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl	0.09	0.0
Compound_16	NC(=O)C=C	0.88	1.0
Compound_17	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_18	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C	0.04	0.0
Compound_19	[Cd]	1.0	1.0