Index SMILES Probability Label Compound_1 CC(c1ccc(cc1)O)(c1ccc(cc1)O)C 1.0 1.0 Compound_2 CCCCCCCc1ccc(cc1)O 0.97 1.0 Compound_3 [NH4+] 0.89 1.0 Compound_4 O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1 0.98 1.0 Compound_5 CCC(c1ccc(cc1)O)(C)C 0.99 1.0 Compound_6 N#CC(C(=O)N)(Br)Br 0.95 1.0 Compound_7 ClCCl 1.0 1.0 Compound_8 CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C 1.0 1.0 Compound_9 CCCCOC(=O)c1ccc(cc1)O 0.99 1.0 Compound_10 C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1 0.94 1.0 Compound_11 O=CC(Cc1ccc(cc1)C(C)(C)C)C 0.99 1.0 Compound_12 COC(C)(C)C 0.97 1.0 Compound_13 CC(c1ccc(cc1)OCC1OC1)(c1ccc(cc1)OCC1OC1)C 0.97 1.0 Compound_14 CC(c1ccc(cc1)O)(C)C 1.0 1.0 Compound_15 BrCC(COc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)OCC(CBr)Br)(C)C)Br 0.99 1.0 Compound_16 c1ncn[nH]1 0.83 1.0 Compound_17 CC(COC(=O)c1ccc(cc1)O)C 0.99 1.0 Compound_18 C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C 0.9 1.0 Compound_19 O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 0.99 1.0 Compound_20 CCCOC(=O)c1ccc(cc1)O 0.99 1.0