Datasets:

DeerEyeRain
/

sel_dataset

Dataset card Data Studio Files Files and versions Community

Split (2)

train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
COc1cc(C(=O)Nc2ccccc2)c(Cl)cc1N	ir: 2 2 5 2 5 4 6 12 8 7 6 4 3 3 2 2 5 4 4 2 4 2 3 2 3 3 2 5 5 4 3 1 2 1 1 1 1 2 5 8 7 13 10 15 7 4 5 2 4 2 2 1 1 2 1 0 1 1 1 0 1 5 1 2 2 7 6 18 12 5 2 2 1 1 0 1 1 3 9 2 1 1 1 1 1 1 1 2 1 1 0 1 3 4 1 1 1 1 5 3 1 3 6 3 7 1 2 1 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 7 12 2 2 1 1 1 2 1 2 9 10 22 12 13 2 2 3 7 12 15 11 37 18 7 3 5 3 3 4 6 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 1 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 1 0 3 2 1 2 1 2 1 2 3 7 15 17 17 7 3 3 1 2 1 0 1 1 1 0 1 1 1 1 3 6 66 7 5 6 4 7 4 11 2 4 4 28 100 10 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 0 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H \| 77 77 m 2H \| 74 74 s 1H \| 73 73 m 2H \| 72 71 tt 1H J 13 70 \| 71 71 s 1H \| 41 41 s 2H \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CCl)CN1CCCCC1	ir: 70 5 3 1 3 2 1 2 2 2 0 1 1 0 0 13 1 1 1 1 1 0 1 4 17 5 2 0 0 0 1 0 1 1 1 1 0 1 11 1 1 15 5 1 2 1 4 26 2 11 3 3 6 9 6 7 14 4 28 1 1 3 6 2 1 1 1 8 3 1 1 5 18 31 5 4 1 2 8 13 17 51 8 3 1 100 40 6 3 2 2 15 2 0 2 11 2 2 8 34 9 3 10 17 29 4 12 13 26 26 20 34 9 12 7 8 10 7 2 9 10 4 2 4 5 2 4 6 10 11 11 12 2 2 5 4 11 18 2 3 2 1 2 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 1 0 0 1 1 1 1 2 1 1 1 1 1 1 4 7 3 1 6 4 16 13 11 6 3 4 3 7 15 44 8 3 2 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 37 37 dd 1H J 33 110 \| 35 34 dd 1H J 31 110 \| 27 27 dd 1H J 45 118 \| 26 25 m 4H \| 25 24 dd 1H J 45 118 \| 21 20 ddqd 1H J 12 33 64 77 \| 16 15 m 4H \| 15 14 m 2H \| 11 10 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC(CI)CI	ir: 4 4 1 2 1 1 1 1 2 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 1 4 1 3 2 2 2 1 0 1 1 1 1 1 1 0 0 1 1 1 3 2 0 0 1 0 0 1 0 1 1 0 0 1 0 3 1 1 1 0 0 1 0 0 1 2 4 1 2 3 2 0 1 1 0 0 0 0 0 0 1 2 1 1 1 0 1 1 1 9 15 12 7 2 1 6 4 2 1 1 1 1 4 6 6 12 6 5 4 3 0 2 3 5 2 2 1 3 1 1 1 2 0 1 2 1 1 3 4 5 1 2 3 1 1 2 3 8 100 13 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 1 2 3 5 6 1 1 1 5 3 2 4 21 7 3 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 42 41 q 2H J 66 \| 33 32 dd 2H J 49 99 \| 30 30 dd 2H J 49 100 \| 25 24 m 2H \| 24 23 m 1H \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)n1nc(-c2ccccc2)cc1Sc1ccccc1	ir: 2 2 2 2 1 2 3 3 8 5 3 5 1 2 8 6 10 11 27 32 9 4 4 3 4 4 9 9 6 10 23 12 9 4 5 2 9 5 6 17 100 23 13 3 4 4 3 0 1 3 8 0 1 2 1 0 1 3 1 1 3 2 2 4 2 5 6 24 21 18 29 24 11 5 3 4 4 12 8 4 2 2 1 3 13 2 1 1 2 2 1 4 2 2 1 2 4 5 1 1 2 2 1 1 2 2 1 1 4 3 1 1 2 2 2 7 3 10 6 4 5 5 2 12 11 4 8 8 4 4 3 4 6 7 22 8 7 21 4 11 40 12 18 12 6 8 4 5 3 2 2 6 3 6 7 4 2 1 2 2 1 1 6 3 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 3 2 1 1 2 2 1 1 2 2 1 4 5 6 11 25 30 19 52 44 23 13 8 2 2 3 2 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 78 78 m 2H \| 75 74 m 2H \| 74 74 m 3H \| 73 73 m 2H \| 72 72 m 1H \| 71 71 s 1H \| 28 28 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C=CN1CC1C#N	ir: 16 13 16 17 23 12 12 9 12 8 3 19 5 6 4 3 3 8 5 4 7 11 11 9 15 8 2 4 13 7 6 5 7 1 3 3 5 10 19 49 22 28 15 15 3 2 1 2 2 1 2 3 2 2 1 2 2 0 3 2 2 0 3 4 14 3 5 3 3 4 1 3 14 10 16 27 8 7 5 4 10 19 25 93 45 35 27 15 5 2 1 2 2 6 10 6 9 8 7 7 39 8 4 9 1 3 4 3 7 27 59 24 42 19 13 14 12 9 3 2 3 2 4 6 4 12 31 7 21 57 8 4 4 1 2 3 2 2 2 2 1 7 8 23 76 55 69 32 5 6 3 2 1 2 2 2 3 8 4 4 2 3 2 2 7 26 7 2 1 1 0 1 1 1 1 0 1 1 1 1 1 2 5 3 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 3 2 3 3 5 3 4 8 5 11 15 51 44 31 100 52 20 0 8 5 2 0 1 3 1 0 2 2 1 0 1 1 1 0 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 ddt 1H J 9 18 137 \| 53 52 d 1H J 139 \| 42 41 q 2H J 61 \| 40 40 td 1H J 17 44 \| 33 33 ddd 1H J 9 44 82 \| 31 30 ddd 1H J 9 44 82 \| 13 12 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C=O)ccc1I	ir: 1 1 0 1 3 3 1 3 13 1 5 3 4 4 2 3 3 3 9 4 4 3 2 1 2 1 0 1 1 0 0 1 1 3 2 3 2 0 10 12 2 1 1 1 1 0 0 1 1 0 3 6 74 19 3 3 1 4 2 1 2 9 5 1 2 3 2 3 5 5 6 1 2 2 1 1 1 2 2 1 0 0 1 1 0 1 12 1 1 1 1 1 2 9 7 2 1 1 1 1 1 1 1 2 3 5 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 2 1 8 7 5 3 1 1 1 0 0 1 1 0 1 2 13 18 2 1 1 2 100 3 1 0 1 2 6 21 4 1 1 11 3 1 1 1 1 1 5 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 1 1 0 1 1 1 1 1 2 1 1 2 4 3 4 12 56 16 3 2 1 1 3 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 99 99 s 1H \| 78 78 d 1H J 81 \| 76 76 dd 1H J 20 83 \| 73 73 d 1H J 20 \| 39 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(CC)Cn1c2ccccc2c2cc(C(=O)c3ccccc3)ccc21	ir: 2 3 1 1 1 2 1 1 2 2 2 1 2 3 2 3 2 1 1 1 2 1 1 2 2 2 6 9 3 4 4 7 3 6 16 44 90 26 13 8 6 4 52 42 8 3 2 4 1 2 1 2 2 6 10 12 4 2 3 2 4 1 1 2 1 1 2 4 15 20 10 4 2 2 15 2 5 5 4 2 2 2 2 5 4 2 1 1 1 2 1 1 2 2 1 1 2 3 3 2 3 5 1 5 5 9 7 4 5 3 3 6 5 3 7 10 51 16 11 10 6 4 0 9 10 2 3 11 33 4 1 3 5 6 12 12 11 47 8 5 57 11 12 4 4 7 8 4 1 4 3 2 5 5 5 2 1 1 1 2 6 2 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 3 2 3 3 3 4 2 5 3 2 3 6 6 10 11 17 18 100 71 20 10 4 3 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 d 1H J 16 \| 78 78 dt 3H J 13 80 \| 77 76 m 1H \| 76 75 m 1H \| 75 74 m 4H \| 73 73 m 2H \| 42 42 dd 1H J 59 139 \| 40 39 dd 1H J 58 138 \| 18 17 tddd 1H J 14 44 59 73 \| 15 11 m 9H \| 9 8 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c1Oc1ccc(C(=O)O)cc1NC2	ir: 18 7 2 2 5 2 2 2 3 2 5 3 3 9 4 12 7 9 6 0 12 100 71 18 13 1 1 5 4 1 2 3 2 1 1 3 2 3 5 2 2 3 2 2 2 2 5 7 2 4 4 2 1 3 2 84 5 1 4 3 3 1 1 1 1 1 2 2 12 4 4 3 2 3 3 7 8 6 3 38 4 1 3 2 1 2 4 7 4 2 2 3 2 1 2 5 1 1 2 2 6 3 7 6 10 2 1 1 2 1 2 1 1 1 3 42 11 9 1 2 3 4 2 2 26 4 1 2 2 1 1 2 2 1 1 2 3 2 2 13 13 19 3 2 2 19 5 35 7 5 5 1 3 3 2 7 3 4 1 0 1 2 1 1 2 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 2 1 2 4 3 3 5 38 14 3 2 3 1 1 2 3 17 54 3 2 4 1 2 1 1 1 3 11 2 3 10 21 26 8 2 2 2 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 dd 1H J 22 86 \| 74 74 d 1H J 22 \| 70 70 ddt 1H J 9 17 79 \| 70 69 m 3H \| 61 61 t 1H J 56 \| 46 46 dd 2H J 9 56 \| 39 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(CN1CCC(CCCC)CC1)CN1C(=O)COc2ccccc21	ir: 6 3 4 1 3 3 6 6 3 4 9 6 8 15 4 4 2 5 32 24 9 8 2 1 0 2 6 3 1 7 6 31 12 2 2 1 2 1 2 2 4 6 11 42 8 6 3 5 4 16 16 3 3 4 4 1 7 3 5 3 10 3 3 2 5 4 7 2 2 1 7 15 47 12 12 7 24 4 4 6 70 6 2 2 4 16 26 9 1 2 1 1 2 3 1 1 1 2 2 7 9 7 1 2 2 8 4 15 8 7 21 5 4 5 2 7 5 12 3 13 16 17 14 22 6 14 16 17 17 4 4 3 6 3 4 3 7 12 8 6 4 1 1 2 3 2 2 7 8 100 3 12 2 1 1 6 2 3 2 1 3 1 2 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 1 2 4 7 6 6 7 3 2 5 6 3 7 39 9 8 16 57 33 11 8 12 3 1 2 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 72 72 dd 1H J 15 74 \| 72 71 td 1H J 13 76 \| 70 70 td 1H J 15 79 \| 69 69 dd 1H J 12 83 \| 52 51 h 1H J 14 \| 50 49 h 1H J 15 \| 48 47 s 2H \| 43 43 t 2H J 14 \| 32 32 t 2H J 14 \| 28 27 ddd 2H J 55 82 123 \| 26 25 ddd 2H J 55 82 123 \| 19 18 ddt 2H J 55 82 123 \| 16 15 ddt 2H J 55 82 123 \| 15 14 ddt 1H J 55 64 113 \| 14 12 m 6H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1ccccc1)N1CCC[C@H]1CO	ir: 20 10 5 11 18 9 4 13 20 9 9 17 34 41 38 33 34 9 4 12 21 5 12 17 18 27 36 43 26 17 15 37 40 8 6 20 16 6 8 46 30 55 7 17 9 3 7 12 9 4 10 13 9 1 11 23 16 6 10 13 8 6 15 29 18 10 13 17 22 15 25 23 14 4 15 17 11 13 34 44 33 21 23 22 33 66 93 74 42 37 48 20 23 34 32 18 11 72 100 21 12 13 18 12 5 7 16 10 4 11 18 9 1 8 15 11 1 9 17 10 16 16 16 9 5 14 14 6 2 8 12 5 3 14 32 20 5 9 9 5 5 14 37 18 6 11 11 4 4 10 8 3 5 10 8 1 4 12 8 2 5 11 7 1 5 11 6 0 5 11 6 0 6 11 6 1 6 11 5 1 7 10 5 1 7 10 4 2 7 10 4 2 8 9 3 3 8 9 3 3 9 8 3 3 9 8 2 4 9 8 2 4 10 7 2 5 10 7 2 5 11 7 1 6 11 7 0 6 11 6 1 6 11 6 1 7 11 5 2 7 10 5 2 7 10 4 2 8 9 4 3 8 9 4 3 8 8 3 4 9 8 3 4 9 8 3 4 9 7 3 6 10 8 2 5 13 9 4 7 11 8 4 8 31 15 17 22 27 20 10 16 17 66 10 16 20 16 4 8 10 5 3 7 9 4 3 8 9 4 4 8 9 4 4 8 8 3 4 9 8 3 4 9 8 2 5 9 7 2 5 9 7 2 5 10 6 2 5 10 6 1 6 10 6 2 6 10 5 2 6 9 5 2 6 9 5 3 7 9 5 3 7 9 4 3 7 8 4 3 8 8 4 4 8 8 3 4 8 7 3 4 8 7 3 5 9 7 3 5 9 6 2 5 9 6 2 5 9 6 2; 1HNMR: 80 79 tt 1H J 15 75 \| 78 77 m 2H \| 77 76 m 2H \| 38 37 dt 1H J 59 99 \| 37 36 m 1H \| 36 35 dt 1H J 59 99 \| 33 33 dddd 1H J 18 37 56 127 \| 30 29 m 2H \| 19 17 m 2H \| 17 16 m 1H \| 15 14 dtd 1H J 48 68 113	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1(c2nccc(Cl)n2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl	ir: 7 4 6 9 10 7 4 10 7 8 4 4 5 5 3 3 3 3 3 7 7 4 3 3 2 3 5 5 4 3 3 7 4 3 4 4 3 3 8 3 9 6 27 11 4 4 4 7 9 4 4 7 5 0 31 7 5 4 3 3 6 4 3 8 4 3 3 4 4 6 6 5 3 7 8 10 4 4 3 4 4 3 3 3 5 4 3 7 11 4 7 23 9 7 11 7 8 5 3 3 3 3 6 4 4 5 4 4 5 4 3 3 3 3 3 3 4 3 3 4 5 5 3 4 4 4 3 4 5 12 8 8 6 6 3 5 11 19 4 4 5 6 7 20 4 4 4 25 13 5 3 3 3 3 4 34 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 3 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 3 3 2 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 4 3 3 4 7 10 9 31 31 5 5 3 5 10 100 23 5 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 83 82 d 1H J 26 \| 75 74 dd 2H J 15 78 \| 74 73 td 2H J 14 80 \| 72 71 m 4H \| 71 70 d 1H J 26 \| 49 48 t 1H J 9 \| 41 40 s 1H \| 35 34 ttd 2H J 15 25 72 \| 25 24 dd 2H J 70 161 \| 23 22 dd 2H J 70 160 \| 21 20 m 2H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(ccn2C2CCCC2)c1	ir: 14 20 17 20 12 13 16 13 10 14 15 13 11 14 16 14 14 19 20 17 20 14 22 16 13 15 15 21 15 36 65 34 44 25 21 25 28 30 20 13 13 16 18 13 14 15 14 13 13 14 13 19 43 52 60 0 23 27 16 9 20 25 17 19 29 35 58 35 47 27 21 13 22 19 16 15 15 15 12 11 14 14 11 11 14 14 11 13 16 15 12 13 20 26 11 13 17 16 10 14 27 24 32 38 37 36 20 30 34 56 69 44 23 17 16 20 19 14 21 18 35 18 17 16 16 15 12 14 15 12 12 14 15 12 11 14 16 14 15 27 31 17 12 15 15 11 14 16 15 13 14 35 75 76 31 23 23 14 12 16 13 9 13 26 17 11 12 14 12 10 12 14 12 10 12 14 12 10 12 14 12 10 12 14 11 10 13 14 11 11 13 14 11 11 13 13 11 11 13 13 11 11 13 13 11 11 13 13 11 11 14 13 10 11 14 13 10 11 14 12 10 12 14 12 10 12 14 12 10 12 14 12 10 12 14 12 10 12 14 12 10 12 14 11 11 13 13 11 11 13 13 11 11 13 13 11 11 13 13 11 11 14 13 11 12 14 13 11 12 15 13 12 13 16 21 20 20 23 20 17 20 19 28 42 30 59 55 97 100 41 76 34 28 23 18 15 14 16 13 11 13 14 12 11 13 14 12 11 13 13 12 11 13 13 11 11 13 13 11 11 13 13 11 11 13 12 11 11 13 12 11 12 13 12 10 12 13 12 10 12 14 12 10 12 14 12 10 12 13 12 10 12 13 12 11 12 13 11 11 12 13 11 11 13 13 11 11 13 13 11 11 13 13 11 11 13 13 11 11 13 12 11 11 13 12 11 12 13 12 11 12 13 12 10 12 13 12 10 12 13; 1HNMR: 74 73 m 1H \| 73 72 d 1H J 80 \| 71 71 t 1H J 24 \| 69 68 dd 1H J 24 81 \| 66 65 dd 1H J 22 52 \| 41 41 m 1H \| 39 38 s 3H \| 20 19 m 2H \| 19 16 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3ccc(CN=[N+]=[N-])cc3)C2SC1	ir: 0 4 1 2 2 3 1 2 3 4 3 8 7 5 2 1 1 2 4 5 41 19 11 4 4 1 2 1 4 3 2 5 3 8 21 13 4 5 4 2 1 2 2 3 4 7 4 1 1 2 2 3 3 5 3 9 8 3 4 3 3 3 2 2 1 2 5 2 3 5 2 1 2 3 3 3 2 4 29 2 6 1 1 1 6 3 2 2 1 2 1 3 3 5 11 5 1 2 6 2 1 5 2 1 1 2 2 1 1 2 7 6 2 2 0 1 1 1 1 2 2 2 4 2 4 8 2 5 5 3 7 5 6 4 1 2 3 2 1 1 1 1 2 6 100 7 18 5 17 18 23 4 3 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 3 3 1 1 1 3 3 4 6 11 3 12 13 6 1 2 3 2 1 1 1 1 2 0 0 0 0 0 1 1 0 1 1 1 1 8 22 4 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 dp 2H J 9 71 \| 71 70 dq 2H J 9 74 \| 62 62 d 1H J 71 \| 52 52 d 1H J 51 \| 50 50 dd 1H J 52 72 \| 48 48 s 2H \| 46 45 t 2H J 9 \| 36 35 d 1H J 152 \| 35 35 dt 2H J 9 35 \| 33 32 d 1H J 152 \| 21 20 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CN(C(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccc(C(C)C)cc2)ccc1O	ir: 7 14 28 22 9 5 9 3 2 4 3 2 4 4 3 4 4 3 3 2 11 6 4 4 1 5 2 3 5 4 3 3 2 2 2 4 4 7 5 4 6 5 6 5 7 5 19 15 10 4 4 2 3 6 14 37 6 6 2 0 2 6 3 3 2 3 2 3 7 8 4 1 3 3 2 3 4 4 18 15 6 7 3 2 4 5 2 4 7 7 10 13 8 32 8 8 3 5 5 2 4 3 2 2 4 5 5 3 5 3 1 2 2 2 1 2 4 3 4 5 3 2 3 3 4 4 2 2 3 3 5 2 2 2 2 3 6 2 2 3 4 3 3 11 11 3 7 5 18 24 100 17 68 12 6 4 2 1 2 2 2 1 3 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 2 2 2 4 3 5 3 9 11 7 13 76 14 9 4 3 2 4 4 32 17 4 2 1 2 3 2 1 2 3 1 2 3 4 18 30 6 4 6 3 4 2 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 s 1H \| 72 72 m 2H \| 72 71 m 2H \| 71 70 m 2H \| 70 70 dd 1H J 77 86 \| 69 68 dt 2H J 9 88 \| 68 67 dt 1H J 9 88 \| 66 66 s 1H \| 51 51 d 2H J 9 \| 39 38 s 2H \| 31 29 pd 2H J 6 65 \| 29 28 m 1H \| 13 13 d 12H J 66 \| 13 12 d 6H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NCCc1ccccn1	ir: 0 3 5 5 4 3 3 3 0 2 3 1 0 2 3 1 0 2 4 3 5 7 5 2 2 3 4 3 12 18 29 39 62 42 17 8 5 8 22 5 7 4 4 2 3 3 2 1 1 4 3 1 2 9 6 11 2 4 3 1 2 4 2 1 4 9 3 3 4 16 14 9 4 4 2 1 2 3 4 4 3 3 3 2 2 2 1 1 2 5 1 1 3 2 1 2 4 3 1 1 3 2 0 2 4 2 1 2 4 2 0 2 9 7 6 4 5 4 3 2 5 8 7 8 7 4 3 4 5 2 1 3 3 3 5 17 17 4 3 2 3 5 7 14 54 100 40 13 28 6 2 6 5 4 4 7 82 69 2 5 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 2 4 3 0 2 4 4 2 2 6 5 12 14 12 6 19 17 3 4 3 2 2 1 0 2 2 1 1 2 2 2 1 2 3 4 9 17 13 20 24 15 15 7 5 3 3 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 84 84 dd 1H J 17 41 \| 76 75 td 1H J 16 74 \| 72 71 ddd 1H J 15 42 75 \| 71 70 dq 1H J 11 76 \| 68 67 t 1H J 60 \| 34 34 dt 2H J 54 61 \| 29 29 td 2H J 9 54 \| 20 19 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1	ir: 15 3 4 2 1 1 1 2 2 3 1 1 0 1 6 7 2 2 4 4 2 4 1 2 1 3 2 8 6 4 17 12 5 5 2 2 1 1 1 1 1 1 2 7 1 2 3 10 11 3 6 2 1 1 1 0 1 4 2 1 1 2 2 1 2 17 3 1 5 10 38 2 4 2 2 5 1 4 3 6 3 9 4 1 1 1 1 1 4 2 4 2 2 1 1 4 1 2 3 100 87 10 11 3 5 5 1 3 8 8 18 2 1 2 1 4 3 3 53 2 2 3 4 5 6 11 10 6 5 2 3 2 2 4 6 11 2 2 1 1 2 2 11 3 14 38 37 34 6 6 3 1 1 4 7 4 1 0 1 2 1 0 1 1 1 0 1 2 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 1 1 2 1 2 1 2 2 2 3 3 3 2 18 4 1 7 3 4 22 12 3 2 2 1 1 1 1 1 1 1 0 0 1 2 2 2 5 12 6 6 6 5 7 4 3 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 85 d 1H J 13 \| 84 84 p 1H J 13 \| 76 75 m 1H \| 75 75 dd 1H J 8 17 \| 65 64 d 1H J 77 \| 64 64 t 1H J 10 \| 42 41 dtt 1H J 23 33 80 \| 40 39 m 1H \| 38 37 ddd 1H J 53 72 126 \| 37 36 m 2H \| 22 21 dddd 1H J 35 54 73 128 \| 20 19 s 2H \| 19 18 dddd 1H J 35 54 71 128	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=C(CN2CCCCC2C(=O)O)NC(c2nccs2)=NC1c1ccc(F)cc1Br	ir: 41 16 37 8 15 14 18 11 10 8 21 10 10 13 12 8 13 12 7 6 5 6 10 10 10 9 8 12 7 7 33 11 7 9 9 6 9 12 14 24 27 37 40 13 10 10 8 12 13 33 15 19 15 74 59 15 13 19 11 6 7 10 25 19 17 22 20 44 17 9 8 19 53 18 12 24 12 9 13 5 11 11 16 11 12 59 30 13 91 21 12 11 6 19 14 10 9 11 15 12 10 10 13 13 49 8 8 10 13 23 31 41 31 89 40 27 52 48 66 34 24 15 10 18 22 18 16 15 23 12 28 26 12 9 6 27 15 7 8 9 11 18 19 10 8 23 10 7 7 40 9 8 20 5 6 8 6 12 7 6 16 5 6 7 7 4 26 10 6 6 5 0 64 2 6 9 6 3 6 7 5 4 6 7 5 5 6 7 5 5 6 7 5 4 7 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 7 6 4 6 7 6 4 6 7 6 5 6 7 6 5 6 7 6 4 6 7 6 5 6 7 5 5 6 6 5 5 6 7 5 5 6 7 6 5 7 7 6 6 7 6 5 6 8 8 10 6 7 8 7 9 8 10 10 12 9 42 18 34 25 22 16 21 22 19 61 96 23 16 95 74 23 10 10 7 11 7 100 17 8 6 5 7 9 8 7 8 15 30 22 7 7 7 6 6 6 5 5 6 6 4 5 7 6 4 5 6 6 5 5 7 6 5 5 7 6 4 5 7 5 5 5 7 5 4 6 7 6 4 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 4 5 6 5 4 5 6; 1HNMR: 88 88 s 1H \| 80 79 d 1H J 46 \| 76 75 ddd 1H J 7 46 78 \| 75 75 d 1H J 46 \| 75 74 dd 1H J 22 121 \| 71 71 ddd 1H J 22 79 101 \| 58 57 q 1H J 8 \| 42 41 q 2H J 70 \| 39 38 dd 1H J 11 139 \| 38 37 dd 1H J 10 138 \| 36 35 t 1H J 60 \| 30 29 m 1H \| 28 27 m 1H \| 21 20 ddt 1H J 59 79 124 \| 18 17 m 1H \| 17 16 m 1H \| 17 15 m 3H \| 12 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCC(CN1CCCCC1)(c1ccccc1)c1ccccc1	ir: 5 5 8 10 9 4 1 4 4 5 5 3 5 5 4 4 6 3 2 2 3 3 5 14 15 31 17 21 37 35 30 18 46 13 10 3 5 9 5 5 8 31 8 5 3 1 2 3 2 1 2 2 1 1 3 4 4 0 2 2 2 2 4 3 2 1 2 3 5 2 15 4 9 4 7 5 4 2 4 5 2 2 6 17 8 4 3 2 1 1 5 3 4 5 4 3 12 4 9 6 2 3 2 2 1 3 2 3 1 6 13 3 4 5 4 4 1 3 4 9 8 4 7 5 12 8 11 14 27 17 12 11 4 3 5 30 5 4 2 3 4 2 5 13 16 54 89 78 13 100 13 3 1 10 3 1 1 2 2 0 2 7 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 2 3 3 2 3 5 3 3 2 4 2 2 5 14 23 10 29 59 34 5 5 3 2 1 2 2 1 1 3 7 3 2 2 2 1 0 2 2 2 2 12 28 19 17 3 11 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 73 72 m 7H \| 73 72 m 4H \| 55 55 t 1H J 55 \| 39 39 d 2H J 55 \| 30 30 s 2H \| 27 26 m 4H \| 17 16 m 4H \| 15 14 m 2H \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C[C@H]1CC(=O)N1	ir: 4 4 1 3 4 3 1 3 4 3 2 5 7 6 3 4 3 1 1 2 2 2 5 4 3 2 2 3 3 5 3 3 3 5 5 4 17 24 20 16 17 7 6 12 7 1 4 3 4 1 3 2 3 0 1 3 4 2 4 3 3 3 4 8 9 3 11 7 8 10 19 6 7 5 3 3 2 2 3 4 4 3 2 2 3 2 4 7 7 7 8 4 2 3 4 3 10 11 5 9 7 4 5 4 2 5 12 6 12 6 2 2 2 3 9 26 3 5 8 5 6 9 7 11 5 7 4 3 3 4 8 9 11 6 4 9 8 11 8 4 3 3 11 18 14 8 7 5 3 1 2 7 50 53 100 8 1 3 2 0 1 3 2 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 7 9 16 9 10 4 4 4 9 8 15 9 9 6 3 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 3 3 3 3 3 18 29 18 36 18 9 3 2 1 2 3 2 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1; 1HNMR: 69 68 d 1H J 71 \| 42 41 hept 1H J 68 \| 36 36 s 2H \| 29 28 dd 1H J 70 150 \| 27 26 m 2H \| 25 24 dd 1H J 73 167	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2ccc3c(c2F)CCN3)cn1	ir: 6 5 2 4 2 2 1 4 15 8 20 12 4 4 4 4 3 2 1 2 6 3 2 2 4 3 5 2 2 1 1 2 1 1 1 2 1 3 13 3 2 1 1 2 1 3 2 2 1 1 1 1 3 26 58 17 7 5 2 2 6 2 1 2 2 11 15 10 6 5 2 6 6 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 3 4 51 28 7 1 3 4 16 42 1 1 2 2 2 2 3 3 6 19 31 7 3 1 0 1 5 3 2 11 17 7 4 4 6 6 9 10 5 2 3 2 3 78 29 5 5 5 2 9 51 15 0 15 51 7 2 1 2 3 13 18 47 5 3 7 6 8 18 39 20 1 2 1 3 12 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 4 3 2 2 3 3 3 4 33 17 8 30 30 18 10 19 27 13 3 3 2 1 1 3 2 1 2 2 3 3 3 6 4 12 17 100 98 48 23 17 12 2 2 6 3 4 6 2 2 3 1 2 1 0 1 2 1 1 1 2 2 2 2 2 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 82 81 d 1H J 20 \| 77 77 d 1H J 20 \| 72 72 dd 1H J 51 82 \| 67 67 d 1H J 83 \| 42 42 t 1H J 31 \| 39 39 s 3H \| 36 36 q 2H J 32 \| 32 30 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1cn(C)c2ccccc12)C(=O)/C=C/c1ccc(N)nc1	ir: 8 6 5 9 14 9 7 3 4 4 4 3 2 3 5 6 7 3 5 4 5 3 4 4 4 3 4 2 1 3 4 1 4 19 52 17 11 5 5 4 4 4 7 12 7 3 2 4 2 1 3 5 16 17 8 6 3 2 3 3 3 2 2 3 4 8 3 3 3 9 15 4 4 3 5 4 6 6 3 2 16 7 3 2 2 2 2 2 2 2 2 2 3 2 3 5 4 2 2 2 3 8 12 3 2 2 2 3 5 3 3 2 2 2 1 2 3 2 2 3 6 8 4 6 8 3 4 2 2 2 2 3 4 3 4 3 4 7 22 10 3 3 3 3 5 12 3 9 16 23 9 46 14 10 6 4 2 4 3 100 7 0 2 4 2 1 3 5 7 2 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 2 1 2 2 2 2 2 2 2 2 6 6 11 7 25 33 10 11 6 2 2 2 2 2 2 2 2 2 2 2 2 4 5 6 2 2 2 1 1 1 2 2 3 3 6 23 2 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 d 1H J 19 \| 78 77 m 2H \| 77 76 m 1H \| 73 73 dd 1H J 13 82 \| 73 72 ddd 1H J 12 71 84 \| 72 71 td 1H J 10 71 \| 70 70 s 1H \| 66 65 d 1H J 161 \| 65 64 d 1H J 79 \| 53 53 s 2H \| 45 45 d 2H J 7 \| 37 37 s 3H \| 31 30 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c1CCC(N1CCCC1)=C2	ir: 3 4 4 5 4 5 5 3 2 3 5 3 3 3 4 6 3 4 6 4 3 6 6 3 2 3 4 3 7 7 3 1 2 3 4 5 3 3 4 1 2 6 8 7 7 9 9 41 40 0 3 4 3 3 5 6 7 10 8 6 15 10 11 6 9 25 17 8 18 10 6 4 4 4 3 3 3 5 6 3 4 6 7 3 4 6 6 8 10 52 18 6 7 13 11 8 6 3 4 3 2 3 4 7 10 29 79 39 16 10 1 8 9 10 1 6 8 5 4 5 7 4 2 5 9 12 5 6 4 3 2 4 4 6 10 14 9 13 15 48 48 7 4 3 3 2 2 3 5 5 3 2 7 12 4 4 3 24 12 4 3 6 60 91 9 2 3 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 2 3 6 5 6 7 6 5 3 7 6 4 21 18 24 100 38 45 10 12 6 3 5 3 3 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3; 1HNMR: 71 70 t 1H J 79 \| 70 69 dd 1H J 16 81 \| 68 67 dd 1H J 15 77 \| 57 57 t 1H J 10 \| 38 38 s 2H \| 33 32 m 4H \| 30 29 dd 2H J 56 66 \| 27 27 ddd 2H J 9 56 67 \| 20 18 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC[C@H](CC1(C(=O)O)CCCC1)C(=O)OC(C)(C)C	ir: 2 1 1 1 0 1 1 1 4 2 4 6 2 3 2 2 1 4 1 8 7 15 100 6 5 9 1 1 1 2 1 1 1 1 1 0 1 2 1 0 0 1 0 1 1 1 1 0 0 0 0 0 1 1 1 1 0 1 1 0 1 1 1 0 1 0 1 2 1 1 1 1 1 1 2 5 6 4 6 11 5 3 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 3 2 1 2 1 1 3 3 1 2 1 1 2 3 2 1 1 2 4 2 0 3 2 2 2 3 2 1 0 1 1 0 1 1 1 2 1 3 42 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 2 1 3 6 3 1 0 0 1 0 0 0 1 1 1 4 54 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 35 34 dt 1H J 57 113 \| 34 33 dt 1H J 56 112 \| 33 32 s 3H \| 26 25 p 1H J 77 \| 22 21 dd 1H J 77 137 \| 20 18 m 5H \| 18 16 m 8H \| 13 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(CCC)[C@@H]1Cc2c(Br)ccc3c2[C@@H](C1)CN3C(=O)c1ccccc1	ir: 3 2 3 2 0 2 4 1 2 7 3 3 7 5 3 2 5 5 5 2 8 2 3 1 5 3 3 2 1 5 6 7 2 8 41 38 12 24 8 7 4 6 8 20 3 2 3 4 2 0 2 6 20 59 6 0 3 9 3 0 3 38 5 3 2 7 7 7 24 23 5 4 6 6 2 2 3 6 2 2 4 4 4 9 15 11 6 1 4 14 20 8 12 12 2 10 11 5 1 2 6 3 2 3 6 10 3 3 8 14 11 10 11 8 3 3 9 10 5 9 18 5 4 9 5 3 1 4 11 34 34 22 10 9 29 9 6 12 6 9 5 8 38 12 16 16 20 15 11 13 3 3 4 5 10 2 1 1 2 5 40 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 2 3 2 2 2 4 4 4 3 4 4 7 2 5 18 24 32 27 100 83 19 7 3 6 3 2 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 75 75 tt 1H J 15 75 \| 74 73 m 3H \| 73 72 m 3H \| 41 41 dd 1H J 27 112 \| 39 38 dd 1H J 48 112 \| 34 34 m 1H \| 30 29 dd 1H J 79 152 \| 29 28 m 1H \| 28 27 dd 1H J 53 152 \| 27 27 m 1H \| 27 26 d 1H J 66 \| 26 25 dt 2H J 66 121 \| 21 20 ddd 1H J 44 58 123 \| 19 18 ddd 1H J 71 86 123 \| 16 14 m 4H \| 10 9 t 6H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCC(C)(C)c1cccc(OC)c1F	ir: 3 11 10 2 1 5 5 3 7 7 7 4 1 2 0 3 1 2 1 2 2 3 4 5 6 6 10 1 2 3 2 2 1 1 1 2 3 9 69 11 4 7 6 8 4 13 5 24 57 7 15 5 3 2 2 2 2 3 4 7 4 8 6 10 13 5 8 2 7 10 8 2 4 4 2 5 6 4 2 1 1 6 3 1 1 1 4 3 2 2 3 1 4 13 2 5 8 7 12 8 20 13 8 4 6 3 3 2 2 1 1 4 4 5 9 4 10 43 49 48 31 24 13 8 22 16 2 5 6 5 7 18 18 7 11 7 15 11 11 8 8 87 38 38 95 41 25 8 8 3 2 2 1 1 1 3 4 17 3 7 5 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 3 5 4 4 6 10 5 5 5 4 5 10 19 27 60 12 49 77 100 13 6 2 2 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 71 70 m 2H \| 69 68 m 1H \| 39 39 s 3H \| 37 36 s 3H \| 26 26 t 2H J 77 \| 20 19 t 2H J 77 \| 14 13 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC[C@H]1C(=O)N1CCN(Cc2cccc3cc(C(=O)O)n(C)c23)CC1	ir: 5 5 4 5 4 3 3 5 8 8 9 11 27 9 13 7 7 5 2 12 10 14 100 95 0 14 9 1 9 9 19 7 9 10 11 17 9 9 9 2 5 6 7 7 7 13 11 8 8 39 23 13 16 5 5 3 6 13 5 4 6 4 5 5 4 5 3 4 6 7 5 2 4 7 9 5 15 17 42 16 31 20 14 7 22 5 4 6 5 12 9 4 7 11 7 6 4 4 7 9 7 6 7 9 7 17 13 11 11 5 20 9 4 6 7 7 8 9 5 11 15 43 39 11 9 6 5 4 5 4 7 5 4 3 3 4 5 5 8 8 5 3 5 5 6 6 11 21 13 42 19 6 3 4 6 3 3 3 5 3 8 3 3 3 2 3 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 2 3 3 2 2 2 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 4 4 3 4 5 6 3 4 4 4 5 12 13 11 21 24 10 9 5 4 5 3 3 4 26 6 3 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 2 3 2 2 2 2 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 77 76 dt 1H J 18 71 \| 73 72 m 2H \| 72 71 ddt 1H J 9 17 75 \| 38 37 m 5H \| 37 36 ddh 1H J 16 48 64 \| 35 34 q 4H J 49 \| 29 28 ddd 1H J 32 50 119 \| 27 27 dddd 1H J 17 32 49 119 \| 27 26 t 4H J 49 \| 23 23 d 3H J 14 \| 22 21 m 1H \| 20 19 dtd 1H J 49 64 119 \| 19 18 ddtd 1H J 32 50 68 133 \| 18 17 ddddd 1H J 17 32 51 68 175	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@H]3CC[C@H]21	ir: 3 1 1 1 4 1 2 7 2 1 4 5 5 2 5 3 10 3 3 5 4 6 2 1 3 1 2 2 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 2 2 1 0 2 13 2 1 10 12 17 11 3 3 1 4 2 2 5 5 5 5 5 7 15 25 3 3 2 2 1 6 2 1 1 1 1 1 1 0 0 1 1 1 3 4 6 11 14 1 4 25 8 2 6 5 5 0 3 5 3 3 4 6 5 17 9 9 15 32 6 5 3 1 5 4 4 6 5 5 7 4 3 4 3 2 1 1 3 3 4 2 1 2 7 3 1 1 2 5 5 100 16 1 2 2 3 4 13 23 12 30 3 1 3 1 1 1 1 16 2 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 0 1 0 0 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 0 2 3 2 1 4 3 7 14 4 5 7 4 7 5 16 25 14 9 1 46 5 3 1 1 1 1 1 1 1 0 1 1 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 dd 1H J 7 85 \| 68 67 dd 1H J 22 84 \| 66 66 dt 1H J 8 21 \| 38 38 s 2H \| 29 27 m 2H \| 25 24 dddd 1H J 17 59 77 145 \| 24 23 m 2H \| 21 18 m 6H \| 17 15 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OC)cc(C(=O)C(C#N)C2CCCC2)c1	ir: 4 4 4 5 6 2 0 3 8 7 2 11 11 9 12 18 5 5 3 10 7 2 4 4 4 3 2 5 4 5 5 3 4 8 8 18 11 12 24 28 7 3 4 6 3 1 2 3 4 4 3 4 5 3 7 5 9 1 2 5 7 14 6 13 6 19 57 45 100 65 16 11 13 9 7 2 5 10 6 3 1 1 3 2 2 2 4 2 1 2 3 3 1 1 3 2 1 1 3 3 9 4 11 5 8 19 18 23 53 29 21 22 18 8 5 8 3 4 4 5 19 28 14 11 28 23 20 9 14 6 5 4 4 3 5 5 3 2 2 2 2 3 5 26 78 89 17 3 4 7 4 2 5 12 2 2 2 5 3 1 8 20 9 16 16 4 4 1 2 3 1 0 1 3 1 3 2 3 2 15 6 3 1 0 1 2 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 2 1 2 3 4 4 4 5 4 11 10 5 8 11 7 10 10 21 29 26 33 41 99 24 8 9 3 1 3 5 2 1 3 4 2 1 3 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 72 71 d 2H J 22 \| 67 66 t 1H J 23 \| 45 45 d 1H J 79 \| 38 38 s 5H \| 22 21 dp 1H J 49 77 \| 19 18 m 2H \| 17 16 m 2H \| 16 15 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](O)CNC(=O)c1ccc(Br)cc1F	ir: 6 6 4 13 8 9 6 7 14 7 8 4 9 6 7 6 14 11 3 10 19 8 4 9 7 3 3 1 5 9 40 74 47 7 7 4 3 1 5 4 8 6 37 100 63 53 11 8 4 6 5 8 5 4 7 28 11 2 6 4 4 2 3 3 4 11 55 41 3 3 3 5 5 4 4 5 8 7 3 2 2 4 2 7 8 8 24 19 26 33 23 24 16 44 33 5 7 2 8 5 4 2 2 3 3 7 4 3 6 3 2 2 1 4 7 4 3 5 3 7 19 26 4 6 30 14 6 6 8 6 4 2 1 1 1 6 40 4 4 1 2 3 8 71 92 71 49 11 37 61 4 22 24 16 13 1 2 2 1 1 3 5 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 6 3 2 4 2 5 2 3 4 3 3 1 6 10 15 10 27 69 31 10 5 9 42 50 49 88 19 18 7 9 7 2 4 4 2 1 4 8 13 30 27 23 33 22 30 36 17 5 4 3 2 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 78 dd 1H J 51 82 \| 75 74 dd 1H J 21 121 \| 74 74 dd 1H J 22 82 \| 73 73 t 1H J 66 \| 40 39 m 1H \| 37 36 ddd 1H J 42 66 130 \| 34 34 ddd 1H J 42 66 130 \| 27 27 d 1H J 49 \| 12 11 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C2=NN(C3CCN(C(=O)c4ncccc4C)CC3)C(=O)C2(C)C)cc1OC	ir: 6 5 9 7 1 5 6 10 2 4 1 5 3 4 4 4 3 5 5 5 3 8 4 5 8 7 10 3 8 8 9 23 13 44 61 68 25 61 16 25 49 20 12 7 23 5 4 5 9 9 3 0 5 8 22 55 25 20 11 2 5 24 14 15 21 30 11 26 10 18 8 5 9 12 9 4 2 3 3 3 3 2 2 4 19 8 15 8 19 11 6 10 15 12 9 7 8 4 1 7 3 3 3 22 12 8 2 11 4 3 2 7 11 46 79 33 36 20 30 16 30 14 6 26 20 9 21 80 44 22 27 12 19 5 17 20 25 16 35 29 21 35 27 30 14 42 8 4 7 14 25 48 47 16 86 40 18 12 5 2 2 1 1 3 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 2 1 1 2 4 5 4 2 6 5 9 7 9 4 4 6 5 10 20 25 37 48 100 58 20 10 14 5 7 4 2 2 3 2 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 dd 1H J 21 41 \| 78 77 ddq 1H J 8 15 72 \| 73 73 dd 1H J 20 79 \| 71 71 dd 1H J 41 78 \| 70 70 dd 2H J 29 50 \| 45 44 p 1H J 57 \| 39 38 d 6H J 88 \| 38 37 ddd 2H J 48 75 122 \| 37 36 ddd 2H J 49 75 122 \| 25 24 d 3H J 7 \| 23 22 dddd 2H J 48 57 75 123 \| 20 19 dddd 2H J 49 57 75 121 \| 14 14 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c2c(nc3cc(F)c(OC)cc13)-c1cc3c(c(=O)n1C2)COC(=O)CC3(O)CC	ir: 1 4 3 2 1 2 3 1 1 2 4 2 2 1 2 1 2 2 2 1 3 6 2 4 1 2 12 2 2 1 1 2 2 2 3 5 2 2 9 2 2 2 2 1 1 3 3 1 2 2 4 0 1 1 1 1 1 1 1 2 3 2 2 1 1 4 2 3 37 15 3 3 4 4 4 8 18 10 11 8 4 4 3 0 2 2 1 1 2 4 1 4 3 2 2 1 2 2 2 1 2 5 5 1 3 2 0 2 3 3 0 3 7 3 2 2 7 6 6 4 4 6 3 2 4 3 5 8 14 1 1 2 2 1 1 4 1 1 1 1 2 2 5 8 31 1 1 1 2 5 1 1 1 1 2 43 19 4 3 2 1 0 5 2 1 0 1 3 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 5 2 3 5 3 2 3 3 3 4 2 9 3 3 12 20 12 4 3 3 3 15 100 20 8 2 0 2 3 1 0 1 2 1 0 2 2 2 1 1 2 2 1 2 4 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 75 d 1H J 122 \| 73 73 d 1H J 47 \| 72 72 t 1H J 10 \| 51 51 s 2H \| 50 49 m 2H \| 45 45 s 1H \| 39 39 s 2H \| 33 32 q 2H J 76 \| 29 28 d 1H J 176 \| 26 25 d 1H J 174 \| 20 19 dq 1H J 78 137 \| 17 16 dq 1H J 78 139 \| 14 13 t 3H J 76 \| 10 9 t 3H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C/C=C1\CCN(C(=O)OC(C)(C)C)C1	ir: 11 21 35 20 67 38 5 12 13 17 46 29 13 20 24 14 5 7 3 3 3 2 1 2 4 1 2 2 3 2 3 3 4 3 2 2 2 1 3 5 2 2 4 4 2 2 2 2 5 2 2 2 2 0 2 3 3 6 5 8 2 3 6 4 5 14 3 3 1 1 2 12 7 5 24 10 3 1 3 3 5 21 39 50 6 2 3 3 3 3 4 2 2 3 5 4 25 18 4 2 2 9 9 22 38 14 26 9 6 21 36 33 13 19 12 30 12 21 17 10 7 5 23 9 12 27 22 20 18 13 17 17 24 40 13 4 7 4 5 4 4 10 86 14 5 4 6 3 4 8 100 99 5 12 38 7 3 1 2 2 2 2 1 1 1 2 2 1 9 8 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 3 4 3 6 3 4 3 5 4 15 12 4 5 8 13 18 28 97 67 22 16 9 2 2 2 3 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 71 70 m 1H \| 65 64 dq 1H J 9 90 \| 61 60 dd 1H J 15 165 \| 42 42 q 2H J 61 \| 39 38 t 2H J 9 \| 36 36 t 2H J 34 \| 27 26 m 2H \| 15 14 s 8H \| 13 12 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCCBr	ir: 15 11 4 3 2 1 1 5 6 10 17 8 8 6 1 2 2 7 7 22 19 3 6 3 3 2 10 4 11 3 1 2 1 0 1 1 2 1 2 2 2 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 2 4 4 4 5 6 4 17 5 11 6 2 5 3 2 2 2 2 1 1 1 2 1 0 1 1 0 0 1 2 1 1 2 3 3 2 3 1 1 1 4 8 20 8 19 9 4 6 15 6 2 3 4 2 1 4 5 6 7 11 9 6 7 12 9 31 10 8 10 11 8 4 3 1 1 1 2 1 2 2 2 1 0 3 35 100 40 80 10 3 1 1 1 2 3 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 2 2 3 2 3 3 4 5 4 8 7 6 3 2 4 8 18 20 31 11 4 3 0 3 4 2 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 45 45 t 2H J 35 \| 36 35 t 2H J 35 \| 21 21 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1CCC(N=C(NNC(=NC2CCCCC2)NC2CCCCC2)NC2CCCCC2)CC1	ir: 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 1 1 1 3 15 3 2 3 4 9 2 3 2 3 3 7 12 3 2 2 2 4 1 1 1 2 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 0 1 0 1 1 0 0 1 1 1 1 1 1 1 1 3 1 0 0 1 0 0 1 0 0 0 1 1 1 0 1 1 2 1 1 1 0 1 2 2 3 3 3 3 3 6 2 1 2 2 3 2 4 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 1 1 2 4 3 7 5 2 1 1 0 16 100 5 1 0 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 2 1 1 1 5 5 2 1 0 1 1 1 0 0 0 0 1 1 46 7 10 2 1 1 0 1 1 0 0 1 1 1 7 13 3 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 d 1H J 56 \| 76 76 d 1H J 57 \| 46 45 d 1H J 79 \| 34 32 m 4H \| 18 16 m 15H \| 16 16 m 2H \| 16 14 m 20H \| 15 14 dtd 4H J 31 61 123	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C=C/C(=O)Nc1cccc(-c2cnccc2Oc2ccc(Oc3ccccc3)cc2)c1	ir: 3 2 1 2 3 3 1 4 5 3 8 4 3 2 2 5 6 4 5 11 3 3 3 6 4 1 1 2 4 7 12 4 4 4 19 11 25 14 10 14 10 11 13 9 5 4 13 30 11 4 4 5 4 2 6 20 24 5 3 6 1 0 2 4 6 17 15 15 19 5 5 3 6 12 12 6 3 4 5 4 3 2 7 13 8 2 4 5 3 2 2 2 2 4 3 2 2 1 3 2 1 1 5 5 3 5 6 7 2 3 4 7 9 3 3 1 0 3 4 2 1 3 12 12 3 13 6 3 1 2 2 1 1 2 6 17 5 2 2 1 4 8 10 57 14 10 20 8 54 3 6 10 17 10 3 3 2 4 5 26 9 5 4 15 5 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 2 3 5 4 23 35 22 100 46 18 8 4 3 4 2 3 1 1 1 2 1 0 1 2 1 0 2 2 2 6 14 36 11 4 3 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 97 97 s 1H \| 88 88 d 1H J 14 \| 84 84 dd 1H J 14 49 \| 78 77 m 1H \| 77 76 m 1H \| 74 73 m 4H \| 71 71 m 3H \| 70 70 dd 4H J 14 81 \| 70 69 m 2H \| 64 63 dq 1H J 15 141 \| 19 19 dd 3H J 16 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCOC(=O)N[C@@H](C(=O)O)[C@H](C)O	ir: 4 3 1 2 5 2 4 3 3 4 14 6 4 6 2 3 1 7 8 7 19 31 41 8 7 5 4 4 3 9 8 13 51 15 3 4 3 3 3 2 3 2 3 2 1 1 2 0 1 1 1 0 1 1 1 0 1 1 1 1 2 7 1 0 1 2 1 2 3 2 1 2 3 2 2 2 3 6 6 20 15 6 2 2 2 3 3 5 10 16 8 15 10 2 3 3 3 2 1 1 2 1 1 2 9 5 5 2 2 1 1 2 3 3 1 4 4 3 7 4 7 14 13 19 4 2 3 3 2 3 1 1 1 0 1 0 1 1 1 2 2 20 11 11 5 100 9 4 4 67 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 2 1 1 2 4 3 2 5 4 2 1 1 1 1 1 2 3 4 9 4 16 4 3 2 0 0 1 1 1 1 0 1 1 2 22 21 29 26 5 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 66 66 d 1H J 93 \| 45 44 d 1H J 49 \| 44 43 ddq 1H J 15 60 92 \| 42 41 qd 1H J 50 63 \| 41 40 t 2H J 64 \| 17 16 tt 2H J 62 74 \| 14 13 pd 2H J 7 72 \| 13 13 m 1H \| 13 13 m 3H \| 13 12 m 7H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c2c(c3ccccc31)CN(Cc1ccccc1)CC2	ir: 1 3 3 0 0 0 0 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 4 12 1 2 1 1 5 4 1 1 24 8 1 5 8 2 2 2 2 1 1 0 0 1 1 0 0 1 1 1 0 0 0 1 1 1 1 6 2 3 5 2 2 3 1 2 3 2 6 2 9 8 3 0 4 6 1 3 3 2 34 0 0 1 2 0 0 1 2 5 2 5 1 1 1 1 0 0 1 1 0 0 2 5 1 1 1 1 1 0 1 2 2 0 1 2 1 0 2 2 7 3 1 1 1 1 11 1 2 4 1 1 1 5 18 2 0 15 7 1 0 0 4 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 1 1 2 1 1 1 0 1 0 2 5 13 4 10 100 14 4 2 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 dd 1H J 14 67 \| 74 72 m 8H \| 72 72 td 1H J 13 70 \| 39 38 m 4H \| 38 37 m 2H \| 30 29 m 2H \| 28 27 m 2H \| 14 13 t 3H J 54	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)C2(C)CCN(c3ncnc4[nH]cc(C)c34)CC2)cc1	ir: 1 2 1 1 3 1 1 1 2 2 2 3 1 2 1 1 7 12 3 2 0 1 2 1 0 0 1 1 4 12 9 2 1 3 1 1 1 2 2 10 16 2 5 29 8 5 6 5 8 5 3 2 3 7 2 5 1 1 1 1 2 4 2 0 2 0 1 1 1 6 1 2 1 0 1 1 1 3 4 6 2 0 1 0 1 1 3 6 4 7 7 2 2 2 0 1 6 6 4 6 3 4 3 3 8 3 10 2 1 0 1 1 1 2 2 1 4 2 1 4 2 3 0 1 1 2 1 5 3 2 1 2 2 1 3 2 5 2 1 0 0 1 3 4 2 1 3 11 1 9 7 6 9 13 11 100 12 70 4 1 0 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 1 0 1 1 2 5 4 4 18 4 3 5 2 1 2 1 0 1 0 0 0 1 2 1 1 1 1 1 4 6 8 12 10 36 36 6 9 7 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 99 d 1H J 71 \| 83 82 s 1H \| 75 75 s 1H \| 75 74 m 2H \| 72 71 m 2H \| 70 70 m 1H \| 38 38 ddd 2H J 47 73 139 \| 36 35 ddd 2H J 47 73 139 \| 25 25 s 3H \| 24 23 m 3H \| 24 23 s 3H \| 20 20 ddd 2H J 46 73 134 \| 12 11 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc(CCCCCCI)cc1	ir: 1 1 0 0 0 1 1 1 1 1 1 2 1 1 2 2 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 0 1 0 0 0 1 1 1 4 7 9 5 9 3 4 1 1 1 1 1 1 1 0 1 1 4 0 0 0 0 0 0 1 2 3 11 23 2 5 1 1 1 3 9 39 14 4 1 1 0 1 1 1 2 2 2 1 2 1 1 2 1 5 2 5 1 1 2 2 1 1 1 1 1 1 5 2 1 1 1 1 2 3 1 1 0 1 0 1 1 0 0 1 1 0 0 0 0 1 0 1 1 1 5 10 2 2 1 2 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 1 1 1 1 4 1 2 1 1 1 1 1 2 5 9 6 14 19 5 3 1 3 3 26 27 100 43 23 3 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 dt 2H J 9 85 \| 67 67 m 2H \| 65 65 s 1H \| 32 32 t 2H J 56 \| 27 26 tt 2H J 9 80 \| 19 18 tt 2H J 55 70 \| 17 16 m 2H \| 14 13 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)C1c1ccc(C#N)cc1	ir: 6 7 5 4 4 4 5 5 5 5 5 4 5 4 4 9 5 3 7 6 4 2 4 4 5 19 4 13 6 5 5 9 26 4 5 6 7 4 6 4 16 6 7 40 20 15 10 7 43 11 28 17 30 16 7 11 7 12 14 12 3 1 3 14 4 3 7 24 26 5 7 4 5 8 3 3 2 3 3 9 3 2 4 5 3 3 5 5 5 7 4 5 3 8 11 13 11 16 69 5 25 9 8 7 2 5 4 6 29 25 0 7 7 11 4 7 13 18 15 11 18 11 14 10 8 7 15 25 11 17 13 16 8 3 5 12 8 4 20 33 24 18 15 14 20 10 27 11 5 4 3 2 15 36 6 7 2 51 5 8 7 2 12 4 3 2 2 3 2 1 2 3 2 2 2 3 2 2 3 2 3 6 28 5 1 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 3 3 4 14 3 6 4 9 4 6 6 6 17 22 16 13 100 43 5 3 6 4 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 78 78 t 1H J 21 \| 77 76 m 2H \| 75 74 dd 1H J 71 107 \| 74 74 m 2H \| 74 73 ddd 1H J 12 21 71 \| 73 72 ddd 1H J 12 22 106 \| 56 55 p 1H J 9 \| 45 45 d 1H J 145 \| 44 43 d 1H J 145 \| 38 37 s 2H \| 30 28 m 2H \| 27 26 m 2H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(OC(=O)c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1	ir: 6 6 4 5 1 2 2 1 4 2 3 4 6 8 5 3 5 8 3 5 13 20 21 19 3 2 2 2 2 2 4 2 1 3 1 1 4 2 1 1 1 1 2 1 1 1 1 1 2 2 2 1 1 3 11 11 15 6 4 1 1 1 1 1 1 2 1 3 2 7 2 1 2 4 3 7 6 8 9 9 17 2 3 2 2 10 4 3 4 5 1 1 2 1 2 4 1 3 2 16 2 2 1 1 2 2 3 2 3 3 1 4 2 1 4 13 2 1 2 2 6 2 4 2 2 2 3 2 3 2 1 1 1 1 1 1 1 1 1 1 2 4 10 8 5 8 3 4 3 7 4 15 4 3 2 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 2 5 1 9 20 7 8 2 3 2 0 11 68 91 100 12 1 2 2 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 d 1H J 21 \| 80 79 m 2H \| 78 78 dd 1H J 22 82 \| 72 71 m 2H \| 69 68 d 1H J 81 \| 64 64 s 1H \| 22 22 d 6H J 48 \| 22 21 hd 3H J 47 55 \| 19 18 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CS)Nc1ccc(O)cc1	ir: 1 3 5 3 3 6 3 8 7 15 4 5 4 7 5 2 2 3 3 4 2 2 3 4 4 2 12 8 4 8 10 13 11 12 9 7 9 9 6 8 6 4 6 8 11 9 12 10 11 11 9 11 38 35 30 44 30 12 4 4 2 4 2 1 3 3 2 1 2 8 2 1 2 3 2 4 2 3 12 10 54 18 15 13 7 12 4 6 19 16 28 13 6 4 1 1 3 2 1 1 2 3 0 26 93 2 1 2 2 3 6 5 3 2 1 2 2 2 5 2 3 2 2 2 3 4 1 5 1 1 1 1 1 1 1 1 1 1 2 2 1 2 5 9 6 12 31 10 5 39 51 32 13 7 13 4 4 2 1 1 1 1 3 6 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 2 1 1 1 1 1 2 2 5 11 13 3 2 2 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 1 2 3 3 2 5 2 3 2 2 3 2 13 9 3 16 15 13 11 3 5 5 3 10 9 22 6 3 2 1 2 1 1 2 2 1 3 2 13 30 19 100 35 6 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 93 92 s 1H \| 77 77 s 1H \| 74 73 m 2H \| 67 67 m 2H \| 36 35 d 2H J 66 \| 20 20 t 1H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1sc2c(c1Cc1cccs1)CCN(Cc1ccccc1)C2	ir: 17 33 10 4 10 8 15 8 13 11 19 10 7 7 3 4 6 4 3 4 3 7 7 4 4 3 6 10 6 4 7 17 4 4 4 10 13 10 6 100 50 20 9 7 6 4 5 4 10 5 3 5 3 3 4 8 11 4 4 3 4 7 22 13 3 2 5 2 16 11 2 4 2 2 2 2 3 5 5 1 12 7 3 10 9 13 8 17 8 11 3 7 19 3 4 4 3 9 3 12 7 4 2 3 3 2 2 2 2 2 2 2 3 6 14 5 5 7 3 3 6 2 6 3 3 3 2 2 5 7 13 24 10 9 6 15 5 3 2 2 3 2 13 31 8 5 11 5 6 2 2 7 6 3 3 9 19 78 32 11 9 3 2 2 2 2 2 2 2 2 2 1 1 2 1 1 2 1 1 1 2 2 2 1 1 2 2 2 1 1 1 2 2 2 2 2 1 2 1 2 1 2 2 2 1 1 1 1 1 2 1 2 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 1 2 2 3 2 2 2 2 2 2 2 2 3 3 2 2 2 3 3 3 2 2 3 3 2 7 13 12 10 25 20 27 23 12 5 5 4 3 2 2 2 3 1 0 3 5 1 28 75 0 4 5 1 1 3 2 5 8 23 33 81 32 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 2 1 2 2 2 1 1 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 72 m 5H \| 71 71 ddt 1H J 9 18 62 \| 70 70 dd 1H J 16 53 \| 69 68 dd 1H J 53 60 \| 50 50 s 2H \| 37 37 d 2H J 9 \| 37 36 t 2H J 8 \| 34 34 s 2H \| 30 29 m 2H \| 28 27 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)Nc1cccc(C2CC(C)(C)c3cc(C(F)(F)F)ccc3N2)c1	ir: 19 11 5 60 27 11 17 8 4 4 2 8 5 2 4 4 2 2 1 7 6 1 1 15 13 8 5 2 6 3 7 11 3 9 4 5 22 17 14 9 4 8 12 14 9 6 12 16 4 6 5 8 6 32 19 6 2 2 2 6 2 1 3 4 2 5 5 9 16 18 10 33 5 5 2 2 3 2 4 2 1 1 2 3 1 17 72 11 7 6 28 13 3 4 2 3 4 5 6 13 7 14 12 32 11 10 28 12 2 3 5 2 2 8 0 14 7 6 14 33 15 4 14 8 11 7 9 2 11 5 9 20 16 19 5 11 3 13 8 14 14 8 8 2 3 7 51 2 1 1 0 4 54 16 11 13 4 2 1 0 1 2 18 13 5 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 2 3 2 1 1 4 3 3 1 1 1 2 1 2 3 13 13 16 58 37 15 6 3 3 2 1 1 1 2 1 2 1 2 2 3 2 2 3 3 7 17 17 47 61 100 95 31 11 3 3 1 2 1 3 1 2 2 2 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0; 1HNMR: 76 76 dq 1H J 7 22 \| 74 73 m 1H \| 74 73 s 1H \| 73 73 t 1H J 79 \| 73 72 ddd 1H J 13 20 77 \| 72 71 m 1H \| 71 70 td 1H J 8 22 \| 67 67 d 1H J 68 \| 48 47 m 1H \| 46 45 d 1H J 66 \| 33 32 q 2H J 87 \| 24 24 dd 1H J 49 139 \| 22 21 dd 1H J 49 139 \| 14 13 m 6H \| 13 13 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC1=CC=CC1	ir: 2 1 4 4 0 2 2 1 2 2 0 0 0 0 0 0 0 1 0 1 4 4 3 3 1 2 1 1 36 57 40 100 63 9 2 1 2 0 0 1 1 1 2 2 4 2 1 1 0 0 0 1 0 0 2 1 1 1 1 1 1 3 6 5 5 2 2 2 7 3 7 11 7 5 5 4 1 2 1 2 1 2 2 1 3 19 14 12 6 3 2 8 5 6 2 1 1 0 0 0 0 0 0 1 1 1 0 1 3 6 2 6 1 5 3 5 9 5 4 10 18 12 7 15 8 4 6 4 2 2 1 1 1 1 1 1 2 1 2 3 8 12 1 0 1 0 0 2 4 31 8 15 5 11 6 9 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 2 5 9 5 4 3 4 1 2 5 15 20 52 90 36 43 36 14 5 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 65 64 ddt 1H J 11 22 59 \| 63 63 ddt 1H J 9 60 79 \| 62 61 dtd 1H J 13 44 77 \| 30 30 dt 2H J 9 46 \| 23 22 td 2H J 13 57 \| 16 15 qt 2H J 57 76 \| 9 9 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CO)N1CCC(c2[nH]nc(-c3ccc(F)c(C(F)(F)F)c3)c2-c2ccncn2)CC1	ir: 15 15 15 13 15 10 8 11 11 13 10 11 10 15 11 10 10 12 8 10 17 12 16 16 11 11 13 13 10 20 10 26 11 19 18 18 20 13 16 12 10 23 9 9 10 17 11 11 9 12 13 16 11 16 32 15 11 14 14 11 9 22 11 13 18 30 30 31 20 21 18 29 18 17 16 14 23 45 15 12 9 9 12 16 10 16 15 14 12 59 28 13 33 14 11 10 9 12 29 24 27 13 9 20 19 35 26 30 12 11 12 25 18 10 11 12 21 49 51 25 23 22 14 20 13 29 8 10 13 13 15 15 21 11 15 23 21 13 10 22 11 18 19 17 9 26 28 0 31 37 16 17 12 26 17 13 10 8 15 76 17 12 8 10 8 7 8 8 8 7 8 8 8 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 8 9 11 9 10 9 11 11 10 12 15 12 24 19 61 23 16 14 21 12 15 75 44 22 75 58 100 17 15 10 9 8 8 8 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8; 1HNMR: 98 97 s 1H \| 94 94 t 1H J 16 \| 91 91 dd 1H J 16 44 \| 81 81 ddt 1H J 13 21 34 \| 77 77 ddd 1H J 22 39 79 \| 75 75 dd 1H J 15 44 \| 74 73 dd 1H J 79 101 \| 41 41 d 2H J 64 \| 37 37 ddd 2H J 57 84 121 \| 36 35 ddd 2H J 57 83 121 \| 33 33 t 1H J 64 \| 31 31 p 1H J 49 \| 23 22 dddd 2H J 49 58 84 119 \| 21 20 dddd 2H J 49 58 84 121	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCC(CCN2CCN(c3cc(C(F)(F)F)ccc3F)CC2)CC1	ir: 0 3 1 2 3 1 1 2 5 4 4 17 3 6 5 1 1 4 2 1 2 7 1 1 5 2 3 1 8 2 2 20 0 3 2 2 3 7 3 2 1 1 1 1 1 1 1 2 3 12 2 4 7 12 51 0 8 6 1 1 5 2 7 2 4 4 8 4 22 3 3 2 2 5 3 1 2 2 2 2 24 3 3 4 12 10 3 28 12 7 7 1 3 5 5 4 6 6 11 21 11 2 6 5 20 8 2 4 4 3 4 4 6 100 28 4 3 8 4 10 6 7 18 9 4 6 13 7 3 4 5 11 5 4 6 1 1 2 3 2 3 3 6 12 21 15 3 1 2 4 9 1 1 2 3 3 1 1 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 4 5 8 4 1 1 4 2 3 4 5 37 14 14 46 20 14 3 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 dddd 1H J 13 22 34 75 \| 71 71 ddq 1H J 9 19 29 \| 71 70 dd 1H J 76 102 \| 33 32 m 4H \| 28 27 m 4H \| 26 25 t 2H J 82 \| 25 24 ddd 2H J 58 84 148 \| 24 23 m 2H \| 18 17 ddt 2H J 59 84 130 \| 17 16 hept 1H J 60 \| 16 14 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc([C@H](O)CCC(=O)O)ccc1F	ir: 0 1 1 1 1 2 3 2 4 1 1 3 4 3 3 1 3 3 5 12 20 24 33 7 5 2 2 1 1 1 1 0 0 2 3 1 1 1 0 1 1 3 1 0 0 1 1 0 0 1 1 0 1 1 5 2 1 0 0 0 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 3 5 12 8 6 9 4 2 3 7 4 4 5 4 12 4 2 1 1 1 1 3 3 2 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 2 1 1 1 3 2 2 2 6 1 1 1 5 4 1 2 2 0 0 0 1 1 0 1 1 0 1 2 6 16 6 4 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 3 5 2 5 9 3 1 2 1 1 1 1 100 56 47 7 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 m 2H \| 70 69 m 1H \| 49 48 m 1H \| 33 32 d 1H J 55 \| 25 24 dt 1H J 91 155 \| 24 23 dt 1H J 92 155 \| 23 22 d 3H J 35 \| 23 22 m 1H \| 20 19 dtd 1H J 65 91 143	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(c2cc(Cl)ccn2)OCCO1	ir: 1 2 5 3 8 33 15 8 7 6 12 9 15 21 9 4 6 5 13 28 23 4 2 2 2 2 5 5 2 2 3 3 3 12 62 30 3 2 2 3 3 3 7 12 8 25 3 2 2 2 2 2 2 2 6 13 14 2 6 8 12 4 4 12 9 15 82 50 27 20 6 4 9 27 17 8 8 2 2 2 7 9 2 3 3 3 3 8 21 44 14 9 5 17 20 22 11 5 5 9 9 13 26 57 19 5 4 3 5 3 1 2 2 2 12 6 4 5 8 8 5 8 4 4 7 8 23 29 8 6 5 3 1 2 2 3 12 12 5 3 2 2 2 2 3 18 29 11 5 3 2 3 3 3 2 1 2 7 49 64 23 6 5 6 2 0 1 3 2 1 1 3 1 0 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 2 2 2 4 3 4 3 2 2 5 3 4 3 3 4 4 6 21 35 15 23 100 50 10 7 1 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 85 84 d 1H J 24 \| 72 71 dt 2H J 21 46 \| 40 39 m 2H \| 38 38 m 2H \| 20 20 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNc1nc(NC)c2nc(N(CCOC)CCOC)nc(NC)c2n1	ir: 4 3 3 5 4 3 2 3 8 9 0 8 31 56 4 10 5 18 3 5 5 3 3 2 4 2 3 3 2 4 3 2 7 2 1 3 2 2 1 2 1 2 1 1 1 1 2 3 2 1 2 9 17 69 8 4 4 4 3 0 2 2 2 0 3 3 4 2 2 2 2 2 5 2 2 1 2 2 2 3 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 1 2 5 7 1 2 1 2 2 3 2 2 5 9 3 5 3 4 3 11 14 2 6 2 3 3 2 4 8 5 3 5 3 1 6 4 2 3 5 20 3 10 7 19 27 100 15 13 3 11 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 4 3 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 3 1 1 3 3 1 1 13 34 35 38 8 3 6 3 1 1 3 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 72 q 1H J 53 \| 68 67 q 1H J 53 \| 52 52 t 1H J 46 \| 38 37 td 4H J 7 68 \| 37 36 m 4H \| 36 35 td 2H J 45 60 \| 33 33 s 5H \| 32 31 d 3H J 53 \| 31 31 d 3H J 53 \| 18 17 qt 2H J 61 71 \| 10 10 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=Cc1ccc(N2CC(=O)NS2(=O)=O)c(OCc2ccccc2)c1	ir: 32 6 7 8 4 12 33 16 24 14 5 12 2 10 2 9 9 6 9 12 15 15 13 15 10 3 8 3 4 4 7 25 28 5 7 4 2 3 9 20 43 5 6 26 7 5 4 2 1 2 1 3 6 15 5 16 15 9 7 5 7 16 8 9 6 5 15 27 16 15 5 3 1 2 4 2 3 2 5 7 1 1 2 4 13 10 10 36 100 32 32 4 7 11 49 10 27 9 8 3 0 4 6 2 1 6 3 2 3 37 7 11 18 17 3 3 4 3 19 8 6 13 20 13 22 5 4 4 4 3 2 1 1 2 8 13 3 1 2 1 1 3 29 28 8 4 5 8 16 56 79 36 22 7 12 7 9 7 3 2 1 1 1 3 10 1 1 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 0 1 2 3 4 3 2 2 2 4 5 4 9 23 55 92 26 14 4 1 3 3 5 1 1 3 2 1 0 2 1 2 3 10 14 5 7 4 7 26 58 69 9 21 5 3 4 2 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 dq 2H J 10 74 \| 74 73 m 2H \| 73 73 m 2H \| 72 72 dd 1H J 18 82 \| 68 68 d 1H J 19 \| 66 66 s 1H \| 63 62 p 1H J 15 \| 52 51 d 2H J 10 \| 48 48 s 2H \| 20 19 p 3H J 13 \| 18 17 p 3H J 13	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(c2ccc(Cl)cc2)CC(C(=O)O)=NN1c1ccc(Cl)cc1Cl	ir: 1 1 1 3 3 1 1 1 1 1 3 2 3 6 7 3 1 1 2 5 3 6 40 100 13 2 2 2 1 0 1 2 1 1 2 2 1 1 1 3 1 1 1 2 1 1 1 2 1 1 1 1 2 4 8 8 7 2 3 4 1 1 2 2 1 0 2 5 1 2 1 1 1 1 1 1 1 12 20 23 8 1 6 3 2 1 2 4 2 3 5 4 2 2 2 2 1 1 6 1 1 1 1 1 0 2 11 6 2 2 1 1 4 2 1 1 1 2 3 2 4 4 3 2 3 5 4 2 2 1 2 2 8 3 1 1 1 1 1 1 1 2 6 2 1 1 2 7 17 8 5 3 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 2 3 5 11 6 9 47 13 5 3 5 2 1 2 2 13 43 4 3 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 100 100 s 1H \| 76 75 d 1H J 21 \| 74 73 m 5H \| 73 72 m 2H \| 24 24 d 1H J 154 \| 22 21 d 1H J 154 \| 17 17 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2nc(SCc3ccccn3)n(-c3ccccc3)c(=O)c2c1	ir: 2 4 3 5 3 2 4 7 4 1 0 1 2 2 1 2 4 3 2 6 7 0 0 0 1 0 2 2 4 4 2 4 11 39 9 6 19 3 5 6 36 9 7 5 4 5 35 21 4 6 2 1 4 40 40 15 3 3 1 1 1 2 6 3 8 9 1 1 5 9 4 2 3 3 1 0 2 6 7 5 2 2 1 2 1 1 5 17 6 16 8 1 0 0 1 1 0 0 1 1 4 4 1 1 1 3 31 3 2 1 0 1 1 3 2 1 1 0 1 1 3 3 2 3 5 5 2 1 1 1 1 10 2 2 6 27 23 7 2 1 1 2 14 10 61 14 4 3 7 22 17 16 6 9 7 6 44 52 7 2 5 0 1 3 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 2 4 2 1 1 2 2 2 7 7 7 21 100 40 24 5 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 dd 1H J 17 41 \| 80 80 d 1H J 21 \| 77 77 td 1H J 17 71 \| 75 74 m 8H \| 73 73 ddd 1H J 14 41 73 \| 73 72 dq 1H J 11 71 \| 43 42 d 2H J 10 \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1Br	ir: 2 2 3 2 4 4 2 2 4 10 6 8 4 2 0 12 16 5 3 7 8 17 7 2 3 1 2 1 3 3 2 3 1 2 5 1 1 1 2 19 10 3 1 1 1 0 1 1 0 1 1 1 3 5 7 2 1 0 1 4 1 4 3 2 1 1 2 2 4 3 1 2 1 1 0 0 0 0 1 1 1 2 1 2 1 0 0 1 0 0 1 1 9 5 1 1 5 6 12 3 0 1 2 3 7 3 1 1 1 1 1 1 0 1 2 1 6 12 7 8 4 6 3 3 5 3 3 3 3 15 26 17 4 4 4 2 2 2 2 1 4 3 1 0 0 3 3 1 100 10 1 3 4 4 28 12 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 4 1 1 1 2 2 1 1 2 2 5 4 12 18 7 7 26 15 4 2 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 dt 1H J 8 19 \| 72 71 ddt 1H J 8 20 78 \| 71 70 dq 1H J 10 78 \| 52 52 d 2H J 9 \| 24 24 d 3H J 9 \| 15 15 s 17H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(SCc2ccccc2)nc1	ir: 1 2 2 10 8 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 7 7 11 7 36 18 9 11 24 47 33 6 6 5 3 3 2 8 9 3 3 2 7 13 95 100 14 10 2 2 1 1 1 1 1 2 1 1 2 3 7 17 4 1 2 3 2 1 2 10 7 2 2 2 1 1 1 1 1 4 38 5 2 3 2 1 1 7 3 11 1 1 2 1 0 2 36 1 2 1 1 3 4 5 2 1 1 1 1 1 1 2 2 3 8 5 5 3 5 3 2 2 2 8 19 13 14 26 28 2 2 3 2 1 8 14 2 1 5 3 4 5 2 9 8 3 2 1 2 3 2 67 4 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 2 2 2 2 1 2 6 9 6 14 81 25 26 5 2 6 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 d 1H J 24 \| 74 74 dq 2H J 10 73 \| 74 73 m 2H \| 73 72 m 2H \| 70 69 d 1H J 78 \| 44 44 t 2H J 9 \| 23 22 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1occc1C(=O)C(=CN(C)C)c1ccncc1	ir: 3 4 8 26 7 5 14 4 5 5 2 7 3 3 3 4 11 5 3 3 4 23 8 21 4 5 3 14 2 4 2 4 4 7 8 5 5 3 2 2 28 10 19 15 4 4 21 3 4 4 5 23 32 11 4 7 7 6 3 2 2 4 6 16 18 19 19 34 38 12 6 5 22 27 6 11 20 11 3 3 2 2 8 5 4 11 4 3 3 10 13 59 7 8 8 3 5 2 2 2 3 2 4 4 21 34 4 3 3 7 10 43 11 4 1 5 10 9 6 6 28 3 3 4 3 3 2 5 15 3 3 17 57 11 2 4 3 3 3 4 13 19 3 3 4 5 27 8 6 10 33 12 4 3 2 5 11 2 14 2 2 4 6 73 18 0 2 3 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 3 3 3 3 6 3 2 5 7 20 7 23 100 21 30 30 12 4 4 2 2 3 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 86 86 m 2H \| 75 74 hept 1H J 11 \| 74 74 m 2H \| 74 74 d 1H J 20 \| 71 70 d 1H J 20 \| 28 28 d 6H J 11 \| 25 25 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCCl)c1csc2ccccc12	ir: 1 2 5 9 13 18 4 9 1 2 3 2 2 4 5 15 0 4 3 2 2 4 3 1 2 11 14 10 9 10 10 9 4 3 3 4 4 4 4 7 14 25 56 100 17 41 12 1 2 4 5 6 3 4 4 7 58 52 21 15 9 7 2 2 5 4 2 0 4 6 4 1 4 3 3 3 3 3 1 1 2 7 4 3 13 5 8 6 4 4 1 2 3 3 2 2 4 3 1 3 5 15 13 7 8 4 18 8 5 6 29 94 63 39 9 7 19 21 36 33 14 7 2 63 43 43 20 10 8 6 8 37 22 13 7 17 26 18 11 70 8 3 3 3 22 39 15 25 28 24 8 6 4 1 4 3 3 1 2 6 18 17 3 4 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 3 1 1 3 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 1 2 3 1 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 2 3 2 1 1 3 3 2 2 4 3 6 16 13 14 7 7 4 8 5 5 5 13 43 65 19 50 28 64 75 54 31 19 24 8 6 4 4 2 1 3 3 3 1 3 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 82 82 dd 1H J 15 64 \| 81 81 dd 1H J 13 73 \| 79 79 s 1H \| 75 75 td 1H J 15 73 \| 75 74 m 1H \| 38 38 t 2H J 35 \| 36 35 t 2H J 35	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(=O)c2cc(Br)ccc2C1	ir: 4 2 1 4 4 3 4 23 12 13 2 4 15 12 6 8 8 1 0 3 4 2 17 5 9 5 3 3 3 2 2 11 2 1 3 6 4 1 1 4 8 1 4 4 9 4 3 6 4 23 20 8 35 40 35 19 9 2 4 6 3 2 12 16 5 9 9 20 16 3 3 3 2 0 2 3 2 4 4 3 3 5 3 3 1 1 6 13 7 4 7 6 8 11 32 5 2 2 5 3 1 5 5 5 1 2 3 2 0 2 4 2 2 2 4 4 1 4 37 34 12 12 31 41 36 9 4 1 1 4 5 7 9 25 9 6 12 4 4 1 1 3 3 2 5 10 51 49 7 5 5 27 100 24 7 2 2 2 2 1 3 12 2 0 2 3 2 0 2 3 1 0 1 3 2 0 2 4 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 1 1 2 3 2 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 3 3 3 3 6 4 1 4 6 11 5 5 4 3 6 7 22 31 45 40 86 92 8 6 7 6 2 3 3 2 2 2 3 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0; 1HNMR: 83 82 d 1H J 24 \| 75 75 dd 1H J 25 80 \| 72 71 dt 1H J 9 81 \| 28 28 d 2H J 9 \| 26 26 s 2H \| 11 11 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1nc(N)c(C(=O)OCC)[nH]1	ir: 3 3 2 2 1 1 5 2 1 2 3 1 1 6 7 10 9 10 9 3 3 2 3 1 1 2 2 1 1 2 3 4 9 12 5 2 4 3 7 2 8 25 19 18 16 8 19 17 9 14 14 13 15 19 18 5 16 14 13 5 10 6 17 12 15 10 9 7 7 14 8 12 16 11 9 14 7 5 10 8 4 6 10 6 6 4 4 7 21 8 8 5 8 2 5 7 9 6 9 2 3 4 8 4 4 3 21 45 36 12 23 14 37 35 38 38 31 30 31 22 22 30 46 36 35 14 10 13 16 13 21 24 10 9 10 29 22 27 17 12 19 7 31 41 88 40 9 3 3 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 5 10 19 12 9 7 11 11 6 7 9 11 10 26 18 26 58 62 40 11 10 7 6 7 3 1 5 40 100 54 53 4 8 18 53 20 46 9 5 3 6 30 16 5 5 2 1 2 3 4 3 2 1 2 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 67 66 s 2H \| 43 42 q 2H J 64 \| 26 26 t 2H J 53 \| 18 17 qt 3H J 53 78 \| 14 13 t 3H J 64 \| 11 10 t 3H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cnc(Nc2snc(C)c2C(=O)Nc2ccc(OC)nc2)cn1	ir: 4 4 8 6 9 5 8 24 22 4 6 3 4 2 2 3 6 9 1 3 5 2 2 3 4 2 6 22 15 7 4 4 3 4 7 18 4 5 5 4 5 23 15 1 3 5 3 2 3 8 6 13 100 56 25 17 16 15 11 0 3 3 2 4 3 5 9 2 4 8 51 29 4 5 4 8 3 2 3 3 3 6 3 3 2 2 3 3 4 4 2 2 2 2 3 5 4 9 5 4 20 8 3 4 3 25 2 4 3 2 5 6 2 3 4 11 5 10 4 4 3 3 3 3 10 8 4 4 3 3 4 25 3 3 4 2 6 16 5 2 6 3 16 4 3 1 20 4 3 5 8 17 75 54 29 5 4 2 21 3 7 3 7 20 25 4 3 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 2 2 2 2 2 2 2 3 2 2 4 5 9 4 5 8 8 2 2 4 3 2 2 2 2 2 3 3 2 2 3 3 3 2 4 6 8 7 10 28 50 25 14 10 7 6 2 2 3 3 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 92 92 s 1H \| 86 86 s 1H \| 85 85 d 1H J 20 \| 82 81 s 1H \| 80 80 dd 1H J 20 84 \| 68 68 d 1H J 84 \| 39 39 s 3H \| 39 39 s 3H \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1	ir: 1 3 0 2 0 0 0 0 1 1 2 6 10 18 2 2 1 1 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 2 1 1 1 2 1 62 13 100 7 0 0 3 3 3 4 6 8 49 14 48 4 5 1 2 1 1 1 1 1 1 1 1 2 15 3 4 5 1 1 1 2 2 1 0 0 1 1 0 2 1 2 0 1 3 1 4 1 0 0 1 1 2 3 17 9 3 1 2 7 18 8 1 1 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 8 1 4 2 1 3 8 38 23 6 1 1 10 3 7 2 0 0 1 1 2 2 4 17 42 9 4 7 13 20 14 22 2 4 3 3 2 11 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 2 2 1 1 3 9 26 54 65 2 6 4 3 1 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 dd 2H J 32 51 \| 78 78 dd 2H J 31 51 \| 73 73 m 2H \| 73 72 dd 2H J 10 78 \| 24 23 d 3H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCOc1cc(Oc2ccc(Br)c(F)c2)cc(C(=O)OC)c1	ir: 3 3 4 5 4 1 2 1 0 1 2 1 2 9 5 4 2 3 2 8 12 1 1 1 1 7 3 1 3 6 9 3 3 3 2 1 1 2 1 0 0 1 1 0 1 2 3 7 2 3 3 0 2 20 18 5 2 0 1 2 1 1 2 3 14 6 26 100 34 20 22 5 11 2 4 2 2 9 2 1 2 1 1 1 1 1 3 2 2 1 0 1 4 19 2 1 1 1 1 2 5 1 0 1 1 1 0 2 1 1 1 5 6 3 18 2 2 1 1 4 19 2 3 4 4 4 3 15 16 2 1 2 2 0 0 2 1 1 3 2 2 0 0 3 3 2 57 17 7 3 3 4 11 12 3 0 1 1 1 2 4 18 1 5 4 3 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 2 2 2 10 5 7 97 41 5 4 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 76 75 dd 1H J 47 97 \| 73 72 dt 2H J 22 214 \| 70 69 dd 1H J 23 97 \| 67 67 dd 1H J 22 121 \| 66 65 t 1H J 22 \| 51 51 s 2H \| 39 39 s 3H \| 35 35 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCC(n2c(=O)n(C)c3cc(Cl)ccc32)CC1	ir: 6 1 1 6 3 4 7 13 15 2 2 1 12 1 3 2 1 6 1 3 2 0 0 0 1 2 0 0 0 0 0 0 0 0 0 3 2 1 2 1 47 12 4 2 1 1 0 0 0 0 1 1 1 1 10 35 24 5 1 2 1 0 3 1 5 10 11 3 8 3 3 2 2 6 5 3 1 0 6 6 1 0 1 0 1 6 3 6 6 0 3 2 0 0 0 1 2 1 1 1 1 8 2 1 1 4 3 4 5 14 49 8 7 4 4 2 7 4 3 5 8 27 16 8 5 3 1 3 9 1 2 9 3 1 4 27 4 2 3 4 23 6 2 1 10 1 1 1 0 2 42 100 2 2 5 38 69 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 2 2 2 7 2 2 3 3 2 2 3 12 27 10 14 25 9 3 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 d 1H J 21 \| 75 74 d 1H J 87 \| 72 71 dd 1H J 21 87 \| 45 44 p 1H J 59 \| 41 40 q 2H J 65 \| 38 37 ddd 2H J 53 81 123 \| 35 35 s 2H \| 34 33 ddd 2H J 53 81 123 \| 23 23 m 2H \| 21 20 m 2H \| 12 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)OC(=O)c1ccccc1O2	ir: 5 3 2 4 6 12 3 2 3 2 1 2 3 20 4 4 3 2 2 2 2 2 5 2 4 4 2 2 2 2 1 1 2 3 4 2 5 2 1 3 6 5 12 14 4 6 3 3 2 2 2 2 2 0 24 1 3 3 2 5 5 1 3 3 5 2 9 13 14 8 2 3 2 2 2 8 2 2 1 5 2 2 3 3 2 1 2 3 2 2 2 2 5 1 3 5 2 1 1 4 1 1 2 2 7 2 3 15 8 4 1 1 2 1 1 1 1 2 2 3 2 2 3 40 5 5 10 4 2 2 2 1 1 2 2 13 2 100 0 4 4 1 1 7 4 2 11 8 4 6 5 33 6 34 5 13 3 1 2 7 3 1 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 2 2 4 3 7 10 45 47 8 6 3 3 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 dd 1H J 16 82 \| 76 75 td 1H J 16 78 \| 72 72 ddd 2H J 13 68 81 \| 70 69 m 1H \| 68 68 m 2H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(=O)c1ccccc1N	ir: 2 2 2 1 1 2 2 4 6 12 6 3 6 6 6 5 3 9 14 14 5 13 7 6 6 4 2 8 13 4 5 2 1 1 1 1 2 4 1 5 8 50 31 1 4 4 2 0 1 2 1 2 1 2 1 1 1 2 1 1 2 2 2 1 2 4 3 1 2 2 2 2 1 3 3 4 6 3 3 1 1 2 2 2 2 2 3 5 6 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 5 4 1 1 1 1 1 1 2 1 1 1 2 3 2 3 7 5 3 1 1 1 0 1 1 1 2 2 1 1 1 2 4 2 1 1 1 4 13 10 2 1 1 1 2 2 4 6 5 23 25 6 40 39 13 5 3 43 25 3 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 2 1 1 1 1 0 2 1 2 1 1 3 2 3 3 3 4 10 35 1 1 1 1 2 1 0 1 1 1 0 1 1 1 1 2 21 19 2 1 1 1 1 2 2 1 4 11 73 100 51 4 2 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 77 dd 1H J 15 81 \| 73 72 td 1H J 15 77 \| 71 70 td 1H J 14 79 \| 69 69 dd 1H J 14 78 \| 64 64 s 2H \| 36 35 p 1H J 69 \| 12 11 d 6H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC=C(c2cc(CN)ccn2)CC1	ir: 3 5 5 17 10 18 2 16 7 17 53 27 9 3 6 4 1 4 5 5 3 2 6 14 36 3 2 4 2 3 1 3 2 8 24 27 4 1 4 3 2 1 5 4 5 6 2 13 9 2 3 2 5 3 4 13 34 6 9 61 39 13 6 26 38 22 34 17 50 37 94 50 21 14 10 4 4 3 4 7 9 5 6 5 12 4 3 2 6 5 3 9 23 8 6 4 2 4 4 4 4 11 4 3 4 2 4 3 6 6 10 4 3 3 13 23 19 12 36 65 27 54 81 33 23 36 28 18 18 33 11 17 22 100 38 26 20 18 10 11 16 12 6 3 2 2 4 23 11 6 14 22 11 3 4 9 11 3 4 0 4 14 93 7 3 0 2 3 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 2 3 3 7 3 4 4 3 5 5 5 2 5 2 9 21 62 33 29 39 13 16 11 5 2 3 2 4 3 6 11 12 18 23 49 57 32 31 18 8 11 45 63 10 6 3 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1; 1HNMR: 85 84 d 1H J 47 \| 73 73 dt 1H J 9 19 \| 71 71 ddt 1H J 8 20 47 \| 67 66 tt 1H J 9 38 \| 42 41 m 5H \| 39 38 m 2H \| 33 32 m 2H \| 15 14 t 2H J 63 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O	ir: 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 4 4 2 2 4 2 4 3 3 6 5 4 11 3 2 2 2 1 2 4 4 3 3 5 4 13 100 5 4 5 2 1 2 9 2 1 2 2 2 2 5 3 2 2 2 2 2 2 3 4 3 4 3 2 2 2 2 2 2 2 4 9 2 2 2 2 2 2 3 2 6 3 2 2 2 2 2 3 5 2 2 2 4 5 3 3 2 2 2 2 2 2 2 2 2 3 6 3 3 3 2 2 2 2 2 3 4 12 3 5 2 2 2 3 3 7 3 3 3 2 3 2 4 26 5 4 8 5 3 2 2 3 2 1 2 6 57 8 2 0 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 5 8 23 5 9 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 10 30 4 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 97 97 s 1H \| 74 72 m 6H \| 50 50 q 2H J 8 \| 18 17 d 3H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCc1ccc2cc(-c3cncnc3)ccc2c1	ir: 1 3 3 1 4 3 2 1 2 2 3 10 6 2 2 1 2 2 2 1 1 2 2 1 2 2 8 12 10 5 3 6 6 4 4 54 47 8 12 1 3 8 1 1 2 2 2 1 1 1 1 0 2 15 13 4 1 4 6 1 1 1 1 6 3 3 2 2 20 23 7 1 1 1 1 2 2 1 6 11 7 1 5 6 11 52 40 62 57 7 3 5 12 21 9 4 2 2 2 2 5 2 3 19 4 2 1 1 3 3 21 16 10 8 8 8 3 5 5 2 2 2 2 3 4 6 2 2 2 3 4 1 1 0 1 1 1 0 0 1 0 0 1 1 12 3 1 1 1 1 1 2 2 2 7 12 14 3 6 2 7 51 3 4 2 0 2 1 1 2 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 1 1 1 1 1 3 3 7 7 9 48 60 12 6 2 2 5 6 100 4 4 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 92 92 t 1H J 17 \| 91 90 d 2H J 16 \| 79 79 dd 1H J 20 80 \| 79 78 m 3H \| 76 76 qd 1H J 12 18 \| 73 73 m 1H \| 38 37 q 2H J 57 \| 28 28 tt 2H J 9 56 \| 17 17 t 1H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](N)C(=O)N[C@@H]1C(=O)Nc2ccccc2O[C@@H]1c1ccccc1	ir: 20 9 5 10 12 7 6 8 14 14 4 13 16 10 10 12 13 12 17 11 13 7 9 14 10 10 5 14 17 7 13 42 22 11 19 19 17 16 27 50 62 100 64 71 39 17 18 11 14 2 10 12 10 13 13 16 20 25 28 45 33 18 21 14 9 8 12 13 30 22 15 16 28 12 15 14 13 19 13 17 14 23 33 16 11 8 8 8 4 7 9 9 5 7 13 11 4 11 13 10 4 15 10 6 4 6 9 7 5 9 14 9 13 11 16 24 17 18 18 10 9 9 13 13 5 15 24 24 16 18 20 20 58 52 67 37 11 16 16 4 7 17 27 32 45 77 58 21 10 16 12 0 60 27 7 28 6 7 7 5 10 39 6 3 5 8 5 3 5 8 5 2 5 8 5 3 6 8 5 3 6 8 5 3 6 8 4 3 6 7 4 3 6 7 4 4 6 7 4 4 7 7 4 4 7 6 4 4 7 6 3 4 7 6 3 5 7 6 3 5 7 5 3 5 7 5 3 5 8 5 2 5 8 5 3 5 8 5 3 6 8 4 3 6 8 4 3 6 7 4 4 6 7 4 4 6 7 4 4 7 6 4 4 7 6 3 4 7 6 5 6 8 6 3 5 7 8 6 7 12 10 9 14 19 32 21 30 73 41 34 13 9 7 5 7 8 7 9 8 16 13 14 54 32 20 15 9 13 17 55 56 78 49 42 17 11 8 6 8 7 4 5 7 6 3 5 7 6 3 4 7 6 3 5 7 6 3 5 7 5 3 5 8 5 3 5 7 5 3 5 7 5 3 6 7 5 3 6 7 4 3 6 7 4 4 6 6 4 4 6 6 4 4 6 6 4 4 7 6 4 4 7 6 3 5 7 6 3 5 7 5 3 5 7 5 3 5 7 5 3; 1HNMR: 89 89 s 1H \| 79 79 dd 1H J 14 81 \| 77 76 d 1H J 92 \| 75 75 m 2H \| 74 74 m 2H \| 74 73 m 1H \| 72 72 td 1H J 14 82 \| 71 70 m 2H \| 57 57 m 1H \| 51 51 d 2H J 55 \| 48 47 dd 1H J 74 92 \| 40 39 h 1H J 53 \| 13 13 d 3H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CN(C(=O)c2cc(-c3cc(Br)cc(OC(F)(F)F)c3)n(-c3ccc(F)nc3)n2)CCN1	ir: 7 7 8 12 9 7 8 7 10 8 9 7 8 7 8 7 9 14 8 8 12 8 8 13 9 12 16 8 12 10 8 7 9 8 8 7 7 9 14 8 10 7 8 7 7 7 17 9 7 7 7 7 7 10 27 7 7 7 7 7 7 9 7 8 9 13 13 8 9 7 7 7 7 7 14 7 9 7 7 7 9 10 7 7 7 7 7 7 8 7 9 7 12 8 8 10 22 13 12 19 8 26 13 10 8 7 7 7 9 9 7 7 7 7 7 7 8 9 12 9 7 10 11 8 7 10 12 9 10 16 12 11 12 31 9 8 8 17 8 7 6 8 8 7 6 10 8 3 5 100 0 13 12 12 8 9 12 6 7 10 8 6 8 8 7 6 7 8 7 6 7 8 7 6 7 7 7 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 7 6 7 7 7 6 7 7 6 7 7 7 6 7 7 7 7 7 7 7 7 7 8 8 7 11 8 11 22 17 24 10 7 7 7 7 7 7 7 7 6 7 7 7 7 7 7 7 7 8 8 7 23 9 11 8 8 9 8 7 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7; 1HNMR: 91 90 dd 1H J 19 32 \| 79 78 ddd 1H J 18 33 81 \| 76 75 t 1H J 22 \| 74 74 m 2H \| 73 73 t 1H J 21 \| 73 72 dd 1H J 80 102 \| 64 64 t 1H J 35 \| 40 40 s 2H \| 38 37 m 2H \| 35 35 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1OCCNC1C(=O)O	ir: 7 5 1 1 2 1 2 1 10 10 2 2 2 4 2 3 3 9 7 2 2 21 100 9 5 1 5 7 3 1 1 2 2 1 1 1 1 1 2 2 8 5 2 1 2 2 3 9 6 1 2 4 2 0 18 24 5 2 1 1 2 3 3 1 14 9 14 5 1 2 2 2 2 3 2 1 1 5 38 8 3 4 2 3 1 2 1 3 2 1 1 1 2 2 1 1 3 6 5 2 1 1 3 5 2 2 1 1 1 1 2 20 10 4 4 7 9 5 2 14 7 3 8 3 2 3 6 4 2 6 1 1 2 1 1 1 1 1 2 2 1 1 3 24 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 2 4 3 2 1 1 1 1 1 1 2 1 1 1 50 89 3 2 1 1 2 2 2 2 49 22 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 49 49 dt 1H J 38 75 \| 42 41 p 1H J 50 \| 38 38 m 2H \| 37 36 ddd 1H J 17 43 112 \| 31 30 dtd 1H J 16 40 141 \| 30 29 dtd 1H J 16 41 141 \| 13 12 dd 3H J 15 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1OC	ir: 4 3 7 5 10 3 2 5 4 7 6 7 26 12 5 4 3 3 5 13 4 26 15 14 8 6 14 6 8 12 4 5 8 7 8 5 1 1 2 2 2 5 1 2 2 2 2 1 1 24 22 6 12 19 15 5 4 3 2 4 3 3 6 3 4 7 17 52 41 16 20 11 7 2 1 2 2 1 4 5 2 4 2 12 5 1 1 2 2 2 2 7 7 4 3 4 2 5 12 20 6 8 70 7 15 7 36 8 12 20 1 2 4 1 2 1 2 5 6 2 0 1 1 2 4 2 3 4 3 1 1 1 1 1 1 2 3 2 2 26 16 22 12 14 21 7 46 7 2 4 2 9 2 2 8 20 36 100 69 4 1 2 1 1 6 9 3 29 7 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 1 2 2 1 3 3 10 8 26 52 32 23 14 15 6 2 1 1 4 1 2 1 2 2 2 1 3 1 3 7 3 4 17 59 36 56 12 8 4 4 2 1 1 2 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 d 1H J 66 \| 87 86 s 1H \| 77 76 m 2H \| 74 74 dd 1H J 22 71 \| 73 73 d 2H J 72 \| 72 72 dd 1H J 32 67 \| 63 63 m 1H \| 43 43 t 2H J 49 \| 39 38 s 3H \| 38 37 t 2H J 49 \| 34 34 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCN1CC2CC(C1)c1cccc(OS(=O)(=O)C(F)(F)F)c1C2=O	ir: 16 6 6 3 62 11 10 9 15 55 8 5 6 24 3 5 5 5 4 8 2 4 7 4 4 4 5 3 3 12 6 2 42 5 2 3 3 3 2 2 2 3 7 2 6 3 8 6 4 6 31 32 17 8 5 3 6 4 3 5 7 5 7 6 2 3 3 8 5 7 100 16 21 11 4 4 4 4 2 3 6 6 44 9 0 33 1 2 4 8 5 6 5 4 2 3 7 23 19 5 4 4 2 3 5 7 11 3 5 4 4 7 5 4 1 6 3 2 2 6 7 5 2 5 3 3 4 7 5 2 3 4 3 3 10 5 5 8 16 10 12 4 3 10 6 4 3 3 2 4 31 8 4 0 1 5 4 15 52 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 1 1 2 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 3 3 1 2 3 2 1 2 3 2 1 2 3 3 1 2 3 3 2 4 6 4 5 11 10 10 6 16 12 8 6 17 5 4 12 6 5 8 4 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 74 73 t 1H J 81 \| 73 72 dd 1H J 13 80 \| 72 71 dd 1H J 15 81 \| 58 57 ddt 1H J 61 115 170 \| 52 52 ddt 1H J 13 23 168 \| 51 51 m 1H \| 35 34 m 1H \| 34 33 m 4H \| 31 30 ddd 2H J 46 113 157 \| 29 28 dd 1H J 45 113 \| 23 22 dt 1H J 67 133 \| 20 19 dt 1H J 66 132	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C)c2n1	ir: 11 12 4 9 7 11 11 8 7 13 33 11 11 5 14 9 12 29 6 10 10 10 6 5 8 7 9 13 14 19 27 20 27 13 13 7 10 9 21 23 66 16 37 16 20 24 23 14 7 10 7 6 3 6 3 3 6 4 3 4 7 9 4 7 11 8 6 2 10 12 14 12 9 6 15 7 12 5 8 10 4 6 13 11 15 8 9 13 13 26 25 11 9 6 4 11 9 12 16 4 8 41 29 19 15 28 30 15 16 12 18 29 10 28 44 20 16 29 23 31 32 23 9 20 5 19 10 10 7 3 6 4 18 14 22 23 11 5 2 4 4 6 65 46 15 13 7 7 4 5 5 7 5 1 1 7 7 8 7 6 3 1 2 11 62 30 6 4 56 44 4 0 2 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 2 2 3 2 2 1 2 3 2 6 6 7 15 12 23 14 11 7 8 9 12 11 29 100 57 14 82 82 60 18 7 8 10 21 73 13 5 7 3 4 6 10 6 10 42 35 52 29 16 18 4 5 4 4 4 2 2 2 2 2 2 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 s 1H \| 80 80 t 1H J 59 \| 74 72 m 5H \| 63 63 d 1H J 81 \| 48 48 dt 2H J 9 59 \| 39 38 m 1H \| 39 38 s 1H \| 39 38 m 1H \| 37 36 m 4H \| 18 17 ddt 1H J 65 124 131 \| 16 15 m 1H \| 9 9 td 3H J 14 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(CCOc1ccc2sc(C(=O)Nc3ccccc3N)cc2c1)C(C)C	ir: 4 1 4 4 13 10 2 4 4 3 4 4 1 6 3 5 7 3 3 6 1 3 8 3 2 3 3 1 1 4 4 0 1 4 1 2 3 1 4 3 16 21 35 29 23 7 2 2 3 1 1 1 2 2 10 2 0 1 1 1 1 1 1 1 1 1 2 4 6 2 2 3 2 2 2 11 6 4 2 1 1 2 2 1 2 3 6 7 3 2 0 3 2 2 1 3 11 2 5 1 1 1 1 2 7 1 2 1 2 1 1 2 1 1 1 2 1 3 2 4 1 1 1 1 2 0 0 1 1 1 3 5 3 4 1 2 4 4 8 8 7 4 1 1 32 1 4 18 7 25 19 36 27 29 4 2 7 13 3 2 2 7 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 0 1 1 1 1 1 3 4 5 6 5 38 10 4 2 0 1 0 1 1 0 1 1 0 1 1 1 3 3 10 38 11 4 3 7 13 16 11 6 3 9 57 100 9 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 97 s 1H \| 81 81 d 1H J 79 \| 78 78 d 1H J 21 \| 76 75 dd 1H J 13 79 \| 73 72 m 2H \| 70 69 m 2H \| 69 68 dd 1H J 14 79 \| 41 41 t 2H J 50 \| 40 40 s 2H \| 31 30 t 2H J 49 \| 30 29 hept 2H J 61 \| 11 10 d 12H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2cc(Br)sc2[nH]1	ir: 2 0 0 1 3 5 6 2 1 1 0 1 1 1 1 1 1 1 1 2 2 1 9 19 19 5 2 1 1 1 1 1 1 2 1 1 1 0 1 1 1 1 1 2 8 12 10 2 2 0 1 1 1 0 0 1 1 0 0 1 0 0 2 1 0 0 1 1 0 0 1 1 2 1 6 3 3 5 6 5 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 6 45 5 1 2 1 1 0 0 1 1 1 2 3 16 10 10 4 6 14 30 2 0 1 1 2 11 21 25 4 8 5 1 1 0 1 1 1 1 1 1 1 1 25 33 2 2 5 18 100 2 2 1 0 1 3 4 0 0 1 1 0 2 12 2 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 4 3 2 1 2 11 19 15 2 2 2 1 0 1 1 1 1 1 1 1 1 1 1 2 1 6 7 3 4 4 28 29 16 13 7 4 1 1 1 1 1 1 0 0 0 0 0 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 95 94 s 1H \| 75 75 d 1H J 20 \| 74 74 d 1H J 22 \| 44 43 q 2H J 64 \| 14 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)COc1ccc(F)cc1	ir: 0 1 1 0 1 1 1 0 0 0 2 3 3 5 2 3 8 5 5 1 0 1 0 0 0 0 1 0 1 2 3 32 10 5 2 2 9 4 4 2 1 1 0 0 0 1 0 0 0 1 1 1 2 8 57 32 6 5 2 2 1 1 1 1 1 2 5 2 4 3 0 0 0 0 0 1 0 1 1 2 1 1 0 0 0 1 1 7 1 1 0 0 0 0 1 2 0 1 0 0 0 2 1 0 0 0 1 2 1 0 0 0 1 1 0 0 1 1 1 1 1 1 1 2 3 3 4 3 2 4 9 6 1 1 0 0 0 0 0 0 1 0 0 0 1 1 6 36 100 4 1 3 4 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 1 1 0 0 0 1 1 2 6 5 6 45 8 8 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 2H \| 71 70 m 2H \| 46 46 s 2H \| 36 35 s 3H \| 30 30 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c2cccnc2n1)c1ccc(F)cc1	ir: 4 2 4 3 8 3 2 3 1 5 2 1 3 4 3 3 3 3 3 10 1 2 1 0 1 1 3 2 1 8 11 2 3 2 2 1 1 1 1 1 2 3 2 0 1 1 2 0 2 6 19 16 3 1 7 7 1 2 1 1 1 4 57 6 3 1 1 1 3 18 7 5 9 6 6 2 1 1 1 2 4 2 1 0 2 1 1 1 4 1 0 0 1 1 0 1 6 3 34 2 1 2 2 1 3 3 1 1 2 4 4 2 5 3 3 2 10 1 3 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 2 4 6 0 1 3 11 37 20 14 18 56 10 10 4 3 2 8 6 7 1 2 7 44 52 17 3 5 4 25 12 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 1 1 1 3 6 9 28 7 10 5 1 2 3 1 0 1 1 1 1 1 1 1 0 1 1 1 1 3 2 1 12 22 100 22 7 8 2 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 99 s 1H \| 87 87 m 2H \| 73 72 m 2H \| 72 71 dd 1H J 51 95 \| 71 71 m 2H \| 65 65 d 1H J 73 \| 61 60 d 1H J 7 \| 53 52 m 1H \| 19 18 pd 1H J 7 51 \| 18 17 d 3H J 66 \| 11 10 m 2H \| 10 9 dddd 2H J 8 51 79 86	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)Cc1ccc(Br)cn1	ir: 1 0 0 4 1 1 3 2 3 1 1 2 2 1 2 2 3 2 4 3 3 2 4 6 21 5 3 5 3 1 1 6 3 1 1 2 12 5 2 1 1 1 1 1 1 1 3 2 1 2 1 1 1 10 22 6 2 2 1 1 1 0 0 0 0 0 0 0 0 7 0 0 0 0 0 1 2 4 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 1 4 1 2 2 1 1 1 1 0 0 1 0 0 0 1 1 1 2 7 9 1 1 1 1 0 1 8 5 1 2 6 1 1 2 1 2 8 5 3 35 100 3 1 8 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 2 1 0 0 1 2 3 1 1 4 8 1 1 1 1 0 0 0 0 0 0 0 1 1 0 1 9 3 0 1 1 1 1 1 1 2 1 1 1 22 72 7 0 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 d 1H J 19 \| 78 77 dd 1H J 19 82 \| 74 74 dt 1H J 9 84 \| 68 68 s 2H \| 35 34 d 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1c2cn[nH]c2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1	ir: 2 2 4 10 9 2 5 3 2 5 7 9 2 15 13 2 2 1 1 1 1 3 1 1 1 0 3 1 1 0 6 1 4 3 9 2 9 1 1 2 2 2 5 100 3 1 1 33 60 5 3 9 3 4 10 12 2 1 1 0 1 4 5 1 3 11 3 3 3 7 6 5 2 2 0 1 2 7 2 29 2 1 0 45 11 5 12 19 6 6 18 4 24 2 1 1 0 3 7 2 1 1 0 1 0 1 2 3 1 1 1 1 3 9 29 6 2 8 2 2 2 6 35 8 4 1 1 3 1 0 0 1 1 1 2 3 9 8 1 1 1 1 5 4 4 19 39 3 2 0 4 2 10 4 4 2 6 1 1 2 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 2 2 1 1 1 1 0 1 4 5 1 20 78 22 10 6 6 1 2 0 0 1 1 0 0 1 1 0 0 1 1 1 0 0 2 7 6 8 18 4 9 5 4 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 s 1H \| 77 77 m 2H \| 76 76 m 2H \| 76 75 m 3H \| 73 72 td 1H J 15 81 \| 54 53 m 1H \| 24 23 dp 1H J 72 112 \| 22 21 dp 1H J 72 113 \| 10 10 td 3H J 16 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCc1ccc(Cl)cc1S	ir: 0 1 1 1 1 1 0 4 1 1 4 3 9 4 5 4 5 8 2 2 6 76 100 9 2 2 1 1 2 2 0 1 1 1 1 1 3 0 1 2 2 2 12 9 4 2 7 11 8 2 0 1 1 2 4 2 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 1 1 2 20 24 3 1 1 1 1 1 1 1 1 1 0 2 12 2 2 2 1 5 3 0 1 0 0 0 0 0 0 0 1 1 5 1 1 2 5 3 4 1 2 3 1 0 1 1 1 6 1 1 0 1 0 1 1 4 13 4 1 1 1 0 2 6 8 3 11 2 3 1 6 1 1 2 3 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 1 1 0 3 3 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 1 1 1 1 1 1 3 6 8 12 26 5 2 1 1 1 0 0 0 18 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 m 2H \| 70 70 dt 1H J 9 78 \| 41 41 s 1H \| 30 29 td 2H J 9 84 \| 27 26 t 2H J 82	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(OCCN(CC(F)(F)F)c2ccc(C#N)c(C(F)(F)F)c2)cc1	ir: 10 12 7 8 7 10 6 4 2 5 5 10 10 20 29 15 13 6 4 3 1 2 5 10 6 9 8 10 5 4 4 3 5 12 12 10 4 7 7 4 2 3 6 2 2 1 3 2 3 3 3 5 10 7 18 37 23 15 6 4 4 5 3 3 4 8 12 7 14 11 15 6 6 7 9 8 5 1 4 2 2 3 4 5 13 17 3 8 14 12 12 6 3 5 2 4 5 6 10 34 11 7 5 7 13 15 15 14 6 3 3 5 3 6 3 44 53 12 8 7 11 9 5 5 5 16 15 5 5 2 2 2 2 2 3 2 2 2 3 2 3 7 39 53 8 7 3 1 7 15 100 34 10 6 10 6 5 1 1 2 2 1 4 4 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 4 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 2 2 3 2 2 2 1 5 4 5 11 8 14 31 31 30 10 16 3 5 3 2 2 2 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 m 3H \| 71 71 dq 1H J 10 19 \| 70 70 m 2H \| 68 68 dd 1H J 21 74 \| 42 42 t 2H J 55 \| 40 40 d 1H J 128 \| 40 39 d 1H J 128 \| 39 39 s 2H \| 37 37 t 2H J 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(C)c(-c2ccccc2)n1	ir: 0 0 0 0 0 0 3 1 1 0 1 2 20 27 5 2 1 3 4 1 0 1 1 0 0 0 0 1 3 4 4 2 4 1 1 1 17 20 5 3 2 12 16 1 1 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 0 0 0 2 0 1 1 5 20 14 4 2 4 5 10 3 1 1 2 1 0 0 0 0 0 0 0 4 0 0 0 2 18 11 1 2 8 8 2 1 0 1 4 3 1 1 0 0 1 1 1 2 1 1 47 3 5 2 2 4 2 1 1 2 3 4 7 4 3 1 1 1 4 32 27 14 1 1 1 1 2 100 1 2 5 7 25 5 2 1 2 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 1 1 2 2 2 3 4 8 6 5 19 16 32 6 6 3 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 d 1H J 9 \| 79 79 m 2H \| 75 74 m 3H \| 26 26 s 2H \| 25 24 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CC[C@@H](Cn2c(C3=CCCCC3)nc3nc(C(N)=O)nc(N[C@H](C)C4CCC4)c32)CC1	ir: 1 2 3 2 1 2 3 3 1 5 5 5 2 4 5 2 6 3 6 3 4 5 2 3 12 19 56 7 5 2 3 4 4 14 2 5 25 14 100 7 8 2 3 5 6 47 8 5 4 5 3 1 2 5 2 2 3 4 5 3 3 2 4 2 2 3 2 6 2 3 2 1 2 3 2 2 3 5 2 2 3 2 3 3 2 2 1 3 3 4 3 4 4 3 3 3 2 2 2 3 3 7 6 7 5 5 5 9 23 12 8 5 5 4 5 5 5 4 3 4 11 5 3 9 4 3 2 2 3 4 6 3 3 3 6 4 7 7 6 13 8 15 28 4 2 2 2 2 2 28 0 5 4 89 4 2 20 12 33 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 3 2 2 3 3 3 4 4 4 1 3 2 3 12 9 12 11 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 5 4 2 2 2 2 4 6 16 30 16 3 4 9 16 3 1 2 2 2 2 1 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2; 1HNMR: 73 72 s 2H \| 66 66 d 1H J 62 \| 63 62 tq 1H J 8 46 \| 43 42 dd 1H J 68 152 \| 41 41 dd 1H J 68 152 \| 39 38 ddt 1H J 54 61 115 \| 29 28 m 2H \| 21 21 m 2H \| 19 16 m 13H \| 16 15 m 2H \| 15 13 m 5H \| 13 12 dd 3H J 15 53 \| 12 11 m 2H \| 9 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc(C2(Cn3cncn3)CO2)c(Cl)c1	ir: 0 1 1 1 0 4 39 1 1 3 1 1 1 1 1 1 0 10 0 1 1 1 1 1 1 5 0 1 1 0 0 1 1 1 1 2 2 3 29 3 13 1 5 4 3 13 3 1 1 2 1 1 1 8 40 7 1 1 1 1 1 1 1 0 1 3 5 11 10 1 1 1 1 1 1 2 1 1 2 2 1 1 1 3 20 2 1 4 4 1 1 5 2 3 2 4 5 3 20 4 8 1 0 2 1 1 0 5 1 5 1 1 1 1 1 1 1 2 9 1 3 1 1 2 6 1 6 7 1 1 4 2 2 3 1 1 1 1 1 1 1 6 0 1 1 1 1 2 35 2 1 11 2 1 1 1 5 8 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 3 2 2 8 2 1 0 3 11 17 68 18 100 29 8 2 0 3 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 0 0 0 0 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 83 82 dt 1H J 9 18 \| 78 78 d 1H J 18 \| 73 73 d 1H J 20 \| 72 72 dd 1H J 20 86 \| 72 71 d 1H J 86 \| 49 48 m 1H \| 47 46 m 1H \| 44 44 d 1H J 35 \| 42 41 d 1H J 33	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(=O)C(=Cc1ccncc1)c1ccc(Cl)c(Cl)c1	ir: 0 0 1 1 1 1 7 2 1 1 2 4 29 2 7 8 5 4 9 16 20 100 5 4 5 3 4 2 5 2 3 1 2 5 2 1 1 1 1 1 4 4 1 1 2 1 0 1 1 1 1 3 3 1 6 3 1 1 1 0 2 0 1 3 5 1 4 5 5 1 2 3 8 9 5 5 4 7 24 11 6 3 2 2 2 3 14 1 3 2 7 4 3 2 1 1 1 1 0 1 1 1 0 1 1 3 0 0 1 0 0 14 2 0 1 1 2 2 8 2 1 2 2 2 2 1 1 1 2 0 1 1 1 2 3 4 5 4 1 2 1 1 2 3 2 1 3 4 5 3 1 1 3 1 1 1 4 6 1 1 1 4 0 1 1 3 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 2 0 2 4 8 22 24 6 2 1 2 2 1 1 47 66 24 4 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 m 2H \| 78 78 d 1H J 21 \| 77 76 m 2H \| 75 75 d 1H J 84 \| 73 73 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)O)c1	ir: 1 1 2 2 1 1 4 3 0 1 4 5 6 11 4 3 9 7 7 11 35 58 72 35 16 9 8 6 2 1 2 1 4 6 8 32 2 2 1 1 1 2 1 2 1 1 1 3 14 6 4 3 4 3 2 1 1 3 1 1 1 1 1 1 1 2 1 2 5 7 1 0 2 2 2 3 12 13 34 32 12 5 3 4 8 5 8 6 10 5 3 2 1 1 1 1 2 2 7 3 3 2 1 0 1 1 0 1 2 2 4 1 3 2 4 2 4 9 2 3 6 4 3 1 4 5 8 3 4 3 2 3 4 4 2 1 1 1 1 5 13 3 1 6 4 28 2 3 6 100 5 2 3 1 3 0 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 2 2 2 2 2 1 1 1 2 4 9 6 4 13 16 2 1 1 2 2 1 1 6 57 14 12 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 td 1H J 10 20 \| 77 77 ddd 1H J 11 22 66 \| 75 74 t 1H J 69 \| 74 73 ddq 1H J 10 21 73 \| 49 49 dt 1H J 9 125 \| 44 43 m 2H \| 26 25 ddd 1H J 52 70 141 \| 25 24 dddd 1H J 18 52 70 141 \| 22 21 dddd 1H J 42 53 70 124 \| 20 19 dddd 1H J 52 60 71 123	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccccc2CCO)CC1	ir: 7 28 24 14 9 7 9 5 13 23 11 19 31 13 12 4 4 4 3 4 3 2 4 11 10 8 11 16 39 57 46 90 34 27 17 14 21 8 10 8 7 15 64 25 18 8 4 13 15 5 6 9 7 15 42 21 13 1 5 11 6 6 7 7 7 3 4 7 4 15 9 5 2 5 7 10 5 2 3 2 3 2 7 4 14 30 47 17 26 50 32 24 18 13 32 9 4 6 7 10 5 5 13 13 16 6 11 7 9 8 12 23 8 20 17 8 10 12 25 33 7 20 15 8 24 17 16 13 6 13 28 20 11 12 11 34 73 43 29 10 7 18 42 72 26 25 49 31 66 40 34 7 22 3 3 3 2 3 3 3 2 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 2 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 1 0 2 1 1 1 1 2 1 1 2 2 1 2 2 3 2 5 6 3 5 4 14 8 2 5 11 8 3 15 30 41 31 57 37 58 18 16 8 7 6 17 61 10 6 3 3 3 4 3 1 1 1 3 2 4 8 15 34 100 98 5 8 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 71 m 8H \| 71 71 ddt 1H J 8 19 80 \| 58 57 d 1H J 84 \| 45 44 dt 1H J 71 86 \| 38 37 q 2H J 58 \| 37 36 ddd 2H J 57 84 121 \| 36 35 ddd 2H J 57 84 121 \| 31 30 ddt 1H J 9 71 141 \| 30 29 pd 1H J 7 59 \| 28 28 td 2H J 9 57 \| 28 27 ddt 1H J 8 72 140 \| 23 23 t 1H J 60 \| 22 21 ddt 2H J 57 82 126 \| 19 18 ddt 2H J 57 82 126 \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(CN(C)C(C)C)c2cc(F)ccc2n1Cc1cccc2ccccc12	ir: 20 13 18 26 6 8 9 10 8 7 12 11 2 5 5 7 7 9 11 14 10 5 6 2 3 6 3 1 1 13 6 5 8 5 10 3 4 7 2 4 10 7 3 4 12 66 44 9 9 11 15 4 5 39 66 8 4 4 2 2 4 6 2 5 2 3 5 24 20 20 6 0 9 11 12 34 11 4 9 9 14 33 12 6 10 19 4 8 11 48 13 34 7 11 16 6 13 12 26 18 7 19 27 8 18 14 27 6 15 4 2 4 11 21 6 22 15 12 7 8 12 4 11 7 7 8 2 7 14 13 7 23 8 8 16 34 15 14 14 9 7 1 1 3 2 7 31 47 23 30 88 43 52 20 7 3 2 10 7 5 2 2 2 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 2 1 0 1 2 1 0 2 5 10 1 2 3 4 6 4 5 3 1 4 11 6 6 24 33 74 74 100 28 24 11 2 1 3 3 6 1 2 2 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 81 dt 1H J 11 77 \| 79 78 ddt 2H J 14 53 81 \| 76 75 ddd 1H J 13 72 84 \| 75 74 m 3H \| 74 73 dd 1H J 70 80 \| 73 73 dtd 1H J 6 14 70 \| 73 72 m 1H \| 59 59 d 2H J 9 \| 44 43 q 2H J 64 \| 41 41 s 2H \| 31 30 dtq 1H J 15 68 136 \| 23 23 d 3H J 14 \| 14 13 t 3H J 64 \| 12 11 d 6H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(F)cc(F)cc1C(Nc1cccc2nc(C)ccc12)C(O)(CBr)C(F)(F)F	ir: 19 25 4 16 22 22 23 25 16 18 25 20 48 18 35 17 12 18 12 12 4 6 29 18 9 6 1 10 5 5 5 8 8 24 6 10 8 6 2 5 4 6 3 7 5 10 6 11 9 8 31 100 5 7 3 3 3 5 5 4 6 14 24 7 9 3 36 12 5 7 8 1 3 3 3 5 4 3 4 20 15 12 12 7 3 3 5 3 4 3 7 3 9 13 27 9 67 23 16 24 16 27 9 18 31 15 10 8 5 5 8 14 8 9 66 13 21 9 6 4 2 4 3 6 5 12 3 2 5 6 3 3 5 3 4 5 10 8 16 5 3 28 63 18 8 2 3 7 5 11 7 4 2 3 3 15 26 1 2 11 50 4 3 4 4 29 2 2 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 1 1 2 1 1 2 2 1 1 2 3 2 4 4 3 3 6 4 2 4 11 16 44 51 84 5 14 5 30 42 11 7 4 2 1 1 2 2 2 4 1 1 2 2 4 8 7 16 27 76 39 10 3 5 4 2 2 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 82 81 d 1H J 79 \| 78 77 dd 1H J 16 74 \| 77 76 dd 1H J 73 86 \| 72 71 m 3H \| 71 70 m 1H \| 69 68 td 1H J 21 121 \| 56 55 m 1H \| 41 40 q 1H J 33 \| 39 38 s 2H \| 38 37 dq 1H J 23 115 \| 35 35 dq 1H J 23 115 \| 27 27 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(C=O)c(O)c(-c2ccc(Oc3ccccc3)cc2)c1	ir: 8 6 11 8 8 16 23 25 13 10 6 3 3 3 3 2 2 3 2 2 2 5 3 3 2 3 3 2 3 4 2 3 3 3 3 4 3 4 10 8 13 16 5 8 8 3 3 3 4 3 3 2 6 10 9 12 41 17 4 2 5 8 6 7 4 3 4 5 11 6 3 2 3 3 4 9 37 13 14 4 4 4 6 3 3 6 14 12 6 5 3 3 3 3 2 3 4 3 2 3 4 13 3 2 2 3 3 12 5 4 6 5 4 2 3 3 4 4 3 3 4 4 4 4 6 4 5 3 7 3 3 3 7 5 4 4 3 6 11 4 2 5 10 27 20 6 5 0 17 5 4 17 9 5 13 5 3 2 3 15 4 1 2 4 4 2 2 3 2 2 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 2 2 2 2 2 3 3 3 3 6 8 8 19 62 22 18 6 0 4 10 4 100 57 1 3 4 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 78 77 d 1H J 21 \| 76 76 d 1H J 20 \| 74 73 m 3H \| 73 72 m 3H \| 72 72 m 3H \| 71 71 tt 1H J 14 75 \| 70 70 m 2H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCCc1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c2c1	ir: 8 4 4 5 6 6 7 7 21 9 5 4 8 70 9 6 7 1 3 8 18 44 9 16 32 7 5 5 5 7 26 8 8 6 7 11 15 11 10 8 35 22 10 11 9 10 11 8 6 2 4 7 17 10 7 8 4 1 3 8 4 2 14 7 10 6 6 16 12 4 10 27 7 3 13 5 3 3 16 6 2 1 10 12 30 22 11 7 3 2 3 3 3 2 4 5 1 5 7 7 12 11 4 5 1 7 28 43 8 9 42 11 14 6 8 8 15 16 11 13 1 7 6 7 5 6 6 3 10 10 20 6 5 8 10 9 15 4 5 4 18 25 5 18 6 5 3 2 2 2 3 2 2 7 36 6 6 5 3 1 1 4 2 4 2 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 1 3 2 0 2 3 1 1 2 3 1 0 2 3 1 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 3 2 3 3 2 2 2 3 3 3 3 7 3 11 24 100 24 6 11 18 8 2 4 3 3 3 4 4 2 3 6 8 6 9 41 60 19 5 9 6 10 66 9 7 3 2 3 2 1 2 2 2 1 1 4 2 1 1 2 2 1 1 2 2 0 1 3 2 1 1 3 2 0 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1; 1HNMR: 83 83 d 1H J 83 \| 80 79 m 2H \| 79 78 ddt 1H J 13 73 88 \| 78 78 q 1H J 10 \| 77 77 m 2H \| 74 73 d 1H J 71 \| 70 70 ddt 1H J 9 24 71 \| 30 29 td 2H J 44 51 \| 28 28 tt 2H J 9 51 \| 26 26 d 3H J 48 \| 19 18 h 1H J 48	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1csc2nc(C(C)N)c(Br)c(=O)n12	ir: 1 2 2 3 1 2 7 9 5 2 2 2 3 2 2 2 1 3 2 1 0 2 2 3 4 1 1 1 1 1 1 1 1 4 2 2 1 3 2 0 1 3 6 4 3 17 100 8 3 3 5 1 10 20 19 15 2 3 2 2 4 14 3 6 16 39 50 59 95 58 17 11 6 8 7 4 3 7 9 6 92 11 4 4 2 26 20 8 1 1 3 2 1 1 3 2 2 3 8 17 27 3 5 4 3 2 4 2 2 3 3 3 11 4 4 2 5 11 8 6 17 9 5 2 7 7 5 15 22 24 44 45 28 9 9 11 30 3 5 3 2 5 1 2 7 5 6 5 37 1 2 1 1 2 1 1 2 12 2 4 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 4 3 2 2 1 3 1 2 3 2 3 2 4 6 18 6 3 2 3 13 19 13 7 4 2 3 2 2 3 7 15 18 44 31 15 16 18 12 5 73 83 4 5 3 1 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 58 57 q 1H J 15 \| 48 47 q 1H J 59 \| 30 30 d 2H J 62 \| 23 22 d 3H J 14 \| 15 15 d 3H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C[C@@H](CN)C[C@H]2c3cccc4[nH]cc(c34)C[C@H]21	ir: 1 1 1 1 2 8 1 1 2 3 5 7 2 2 1 1 2 1 2 1 1 8 5 1 3 4 20 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 5 23 21 4 5 2 2 3 12 18 8 11 10 9 3 1 1 2 2 1 2 10 22 25 4 13 4 2 3 5 4 6 1 1 2 8 16 14 1 1 2 1 0 1 2 2 4 5 8 3 2 2 4 3 4 3 3 6 3 7 5 4 15 7 3 2 2 3 5 1 1 2 5 7 4 4 3 2 1 4 8 3 3 6 4 5 24 35 10 4 4 10 19 5 4 2 1 13 1 1 1 1 1 4 3 1 1 1 1 1 1 0 5 9 4 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 2 1 1 3 2 3 2 1 3 1 4 9 12 3 7 8 2 1 1 3 1 2 3 7 7 13 24 16 7 2 4 4 2 21 100 9 16 29 29 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 93 92 d 1H J 66 \| 72 72 dd 1H J 12 80 \| 72 71 t 1H J 80 \| 70 70 dd 1H J 8 68 \| 70 69 dt 1H J 9 81 \| 32 31 dddt 1H J 14 31 45 88 \| 31 31 m 1H \| 30 29 m 1H \| 29 29 m 1H \| 28 27 m 2H \| 27 26 m 1H \| 25 24 dd 1H J 56 115 \| 23 23 d 3H J 14 \| 21 21 ddd 1H J 45 53 137 \| 19 18 ddd 1H J 71 80 136 \| 18 17 dtq 1H J 27 52 107 \| 16 16 t 2H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)CCN(C(N)=O)CC3)cc1	ir: 25 29 1 6 8 6 6 13 25 14 17 39 39 55 7 15 31 12 4 7 11 7 9 14 12 19 2 5 8 8 12 7 10 10 77 21 51 42 55 60 32 23 15 10 8 3 5 9 13 3 9 12 19 47 31 20 12 11 10 7 4 0 6 5 18 31 32 10 9 8 5 14 7 4 6 4 2 2 5 4 9 23 4 29 100 9 14 8 10 5 8 5 6 32 45 5 2 3 6 16 9 3 5 4 10 14 11 3 0 3 6 4 5 5 11 4 2 5 6 12 7 5 9 20 24 45 9 3 3 5 8 4 5 11 11 23 18 5 6 2 0 8 8 1 3 18 31 69 27 16 65 88 67 12 19 4 15 19 29 12 12 5 6 19 6 5 3 1 2 4 2 0 2 3 2 0 2 4 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 2 2 3 3 1 1 3 2 1 1 3 3 1 2 4 3 1 2 5 4 3 2 4 2 2 5 6 6 15 51 90 18 9 5 11 3 1 4 5 2 2 4 4 3 3 3 4 11 9 6 11 9 18 21 43 27 49 16 9 7 49 80 13 3 2 3 3 1 2 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0; 1HNMR: 84 83 s 1H \| 78 78 m 2H \| 76 75 s 1H \| 74 73 dd 1H J 22 81 \| 73 73 dq 2H J 8 77 \| 72 72 dt 1H J 8 21 \| 70 70 dt 1H J 8 79 \| 55 55 s 2H \| 36 36 dt 4H J 65 72 \| 29 28 dtd 4H J 9 65 171 \| 24 24 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=N[C@H](C(C)C)C(OC)=N[C@H]1CCc1ccc(Cl)cc1	ir: 20 96 33 24 25 50 32 7 9 40 6 5 10 10 12 5 46 4 7 2 1 6 3 2 2 3 4 3 2 3 4 18 14 5 12 7 3 3 3 1 2 2 4 3 2 4 4 2 7 9 7 7 14 33 38 10 9 4 10 11 4 4 8 7 4 7 41 6 15 10 9 53 33 12 12 5 6 7 5 36 41 11 7 3 4 9 2 2 2 2 1 4 4 44 20 7 7 9 10 18 9 13 18 8 8 11 21 28 63 20 1 5 4 7 20 7 14 11 2 12 14 20 16 25 23 9 5 9 4 3 6 3 6 6 5 10 19 3 1 9 3 9 14 37 34 18 44 23 13 8 6 5 51 4 3 3 2 1 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 2 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 0 1 2 2 1 1 2 1 1 2 6 5 1 2 6 7 7 2 3 7 4 8 13 13 18 62 40 63 100 22 10 13 7 5 2 3 10 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 2H \| 71 71 dt 2H J 8 81 \| 41 40 t 1H J 81 \| 39 38 ddq 1H J 16 31 89 \| 38 37 d 5H J 152 \| 29 28 dtt 1H J 9 81 135 \| 28 27 dtt 1H J 9 81 135 \| 23 21 m 2H \| 21 20 dq 1H J 81 123 \| 9 9 ddd 6H J 15 68 81	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](O)CCCO	ir: 11 10 4 13 15 13 10 7 6 8 4 3 5 3 3 4 5 4 3 2 0 4 2 1 1 3 2 2 1 2 2 0 1 1 2 3 1 2 4 3 1 2 2 1 2 2 1 0 1 2 2 0 2 3 1 2 1 2 2 1 2 4 3 2 2 3 3 8 7 8 4 3 3 6 4 4 5 5 6 9 6 8 15 26 18 32 25 61 100 44 86 91 62 19 21 8 11 8 3 6 2 4 1 2 3 3 2 4 1 2 4 3 3 3 6 3 2 2 3 4 2 2 3 5 3 4 1 3 6 4 3 1 1 1 2 1 1 1 0 0 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 1 0 1 0 0 1 1 1 1 0 1 0 0 0 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 1 1 1 1 1 0 1 0 0 1 1 0 1 1 1 1 1 1 1 2 1 4 3 2 2 7 5 4 7 6 8 7 12 8 9 5 9 4 5 12 11 15 7 4 5 8 4 9 32 32 61 99 56 29 17 12 5 16 4 6 6 5 5 5 6 5 7 3 3 3 5 5 5 5 3 3 5 2 3 3 2 2 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 38 37 hd 1H J 51 64 \| 36 35 dq 2H J 55 75 \| 33 32 t 1H J 57 \| 32 32 d 1H J 53 \| 17 16 m 2H \| 16 13 m 2H \| 12 12 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nnc(-c2cccc(C=O)c2)n1	ir: 2 1 0 1 3 2 2 2 3 1 13 10 14 2 2 3 5 1 0 1 2 7 8 7 2 1 1 2 4 10 12 11 17 2 1 1 1 1 1 1 1 1 1 3 2 2 13 8 9 2 1 1 1 0 1 2 3 3 8 8 6 5 1 2 1 0 2 3 5 2 2 2 1 2 1 1 1 2 2 3 2 1 1 2 1 1 1 1 1 1 1 1 1 2 12 15 1 1 2 2 1 4 8 6 17 12 2 1 0 1 2 1 0 1 2 2 2 3 6 2 1 3 3 9 5 8 7 23 32 2 2 12 12 2 2 0 1 4 11 8 50 18 40 60 10 1 1 1 1 2 17 3 1 1 1 1 1 2 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 2 2 2 1 1 1 1 1 1 2 2 2 4 8 17 18 27 100 42 9 5 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 100 100 s 1H \| 84 84 t 1H J 22 \| 81 81 ddd 1H J 11 21 91 \| 80 80 m 1H \| 78 77 dd 1H J 77 92 \| 44 44 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc2c(c1)N=C(CCCCCl)c1ccccc1O2	ir: 1 1 2 1 0 1 3 2 4 1 3 4 4 3 4 2 1 1 8 3 0 2 3 1 2 5 2 1 0 2 1 0 0 2 2 1 16 5 12 9 6 19 23 6 100 18 6 3 2 2 3 2 3 6 59 8 4 2 2 2 2 2 3 3 12 48 18 19 12 23 3 1 1 1 10 2 3 4 1 0 1 1 1 1 6 2 6 1 1 1 1 1 5 43 10 5 8 3 1 1 2 1 0 1 2 2 4 2 2 1 9 2 5 6 5 6 5 7 9 4 3 1 1 2 4 7 4 2 3 6 2 3 3 1 0 3 16 7 2 3 35 15 8 2 35 45 7 4 9 45 10 11 2 2 30 4 1 2 1 1 9 1 10 0 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 5 3 3 4 2 2 4 3 4 9 14 9 7 62 73 33 3 1 2 3 3 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 76 dd 1H J 15 73 \| 76 75 td 1H J 17 78 \| 72 71 m 4H \| 70 70 dd 1H J 47 81 \| 36 35 t 2H J 33 \| 28 28 t 2H J 75 \| 19 18 m 2H \| 18 17 pd 2H J 10 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCOc1coc2ccccc2c1=O	ir: 5 4 4 4 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 7 9 4 5 5 4 4 5 5 3 3 7 6 0 4 100 23 13 6 1 5 9 6 2 6 6 4 2 4 6 7 3 5 12 5 4 4 10 7 4 5 5 6 5 4 6 6 4 4 5 4 4 5 6 8 5 5 5 4 4 4 5 4 4 5 5 6 5 5 4 4 4 5 4 4 4 5 4 4 6 5 4 4 4 6 4 3 4 5 4 4 4 5 4 4 4 5 4 4 4 5 5 6 14 4 4 4 4 4 4 5 7 5 10 4 4 4 4 4 6 7 11 5 28 5 3 4 5 4 3 4 6 28 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 5 5 6 6 7 23 14 10 9 7 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 80 80 dd 1H J 15 81 \| 78 78 s 1H \| 77 77 ddd 1H J 15 76 82 \| 75 75 td 1H J 12 78 \| 74 73 dd 1H J 12 84 \| 49 49 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

Subsets and Splits

No community queries yet

The top public SQL queries from the community will appear here once available.