Index SMILES Probability Label Compound_1 CC(C(=O)OC(=O)C(C)C)C 0.62 1.0 Compound_2 CCOC=CC(=O)C(=O)OCC 0.49 0.0 Compound_3 CCCCCCCCI 0.99 1.0 Compound_4 C=CC(CC(C)C)(C)C 0.93 1.0 Compound_5 C=CC(CC(C)C)C 0.79 1.0 Compound_6 CC(C=C)CCC 0.88 1.0 Compound_7 CCC1=C(C)C(=O)NC1=O 0.55 1.0 Compound_8 O=NN(c1ccccc1)C 0.92 1.0 Compound_9 CC(C1=NCCN1)C 0.1 0.0 Compound_10 CCCCC1CCC1 0.96 1.0 Compound_11 CC1CCCCCC1 0.91 1.0 Compound_12 c1ccc(cc1)C1C=Cc2c1cccc2 0.96 1.0 Compound_13 CC1CC(c2c1cccc2)(C)C 0.99 1.0 Compound_14 OC(=O)c1ccc(c(c1)Cl)Cl 0.93 1.0 Compound_15 CC1CCC(C1)(C)C 0.89 1.0 Compound_16 Cc1cc(C)c(c(c1C)C)C 0.93 1.0 Compound_17 COCC(OCC)OCC 0.93 1.0 Compound_18 CCC1CCC(C1)C 0.95 1.0 Compound_19 CCCCCCCCCCCI 0.99 1.0 Compound_20 CC(=C)c1ccc2c(c1)cccc2 0.99 1.0 Compound_21 Cc1cccc2c1c1ccccc1s2 0.98 1.0 Compound_22 CCCCCCCO 0.96 1.0 Compound_23 c1ccc(cc1)Nc1cccc2c1cccc2 1.0 1.0 Compound_24 OCCCC(CC)C 0.95 1.0 Compound_25 CCCCCCCCCCCCCCCCCC=C 0.97 1.0 Compound_26 OCCCC(CC)C 0.95 1.0 Compound_27 CCCCCCCC=C 0.97 1.0 Compound_28 CCCCCCCCCCCCCCCCC#C 0.99 1.0 Compound_29 CCCCCCOP(=O)(F)C 0.93 1.0 Compound_30 CC(c1cccc(c1N)C(C)C)C 0.99 1.0