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DeerEyeRain
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sel_dataset

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train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
Cn1c(C#N)ccc1-c1ccc(C(=O)c2cccs2)cc1	ir: 1 2 4 3 9 6 4 3 1 3 4 2 1 2 3 2 1 3 7 2 2 2 3 2 2 2 2 3 7 13 10 10 5 6 5 15 100 11 30 41 7 8 4 0 3 4 3 1 4 5 5 0 2 5 4 11 11 73 12 8 17 5 2 1 3 3 2 1 3 18 7 3 3 4 2 1 3 9 6 3 3 3 2 3 3 3 2 2 4 7 3 2 3 6 3 2 3 2 1 2 3 2 1 2 3 2 2 4 8 4 1 2 3 9 4 3 6 6 11 6 15 10 7 13 8 16 8 4 3 2 6 4 4 3 4 2 10 4 3 6 14 39 6 5 5 4 37 17 4 6 18 4 6 3 3 12 8 2 2 3 2 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 21 2 1 2 3 2 1 2 3 2 1 2 2 2 1 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 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 2 2 2 2 1 2 4 2 2 2 3 2 2 2 3 3 3 3 3 3 4 7 5 13 52 21 56 59 7 3 5 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 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 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 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 3 2 1 2 3 2 1 2 3; 1HNMR: 81 81 dd 1H J 16 53 \| 78 78 m 2H \| 77 77 m 3H \| 73 73 dd 1H J 54 61 \| 71 70 d 1H J 57 \| 64 63 d 1H J 57 \| 37 37 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(C(=O)O)cc2ncccc21	ir: 6 5 5 7 15 8 4 6 6 5 7 8 13 50 15 7 6 6 6 6 12 46 19 99 73 10 6 8 7 5 8 8 7 4 76 35 8 8 6 6 11 6 5 6 6 8 7 10 9 15 32 12 14 6 6 6 6 4 5 7 8 13 17 7 7 6 7 7 6 4 12 8 8 5 7 10 6 12 100 0 9 8 7 6 7 9 10 6 8 6 5 6 7 6 5 24 7 14 15 6 6 5 6 5 5 5 5 6 5 6 6 6 6 8 27 11 15 8 7 6 6 6 6 6 8 7 8 6 7 21 7 6 5 6 6 5 8 27 30 9 14 21 16 40 20 7 6 5 5 27 11 8 6 6 31 71 7 31 10 13 8 5 5 6 5 5 5 6 6 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 7 6 6 5 6 6 6 6 6 7 6 7 7 8 7 6 19 18 31 40 32 7 6 5 6 10 59 46 6 4 6 6 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 87 87 dd 1H J 21 37 \| 79 78 dd 1H J 22 64 \| 73 73 dd 1H J 37 64 \| 72 72 s 1H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCCc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1	ir: 39 19 39 19 45 12 4 24 39 79 69 16 15 9 17 23 17 9 40 30 16 8 11 18 10 8 13 11 10 11 12 7 5 5 4 43 16 9 5 3 9 5 7 8 4 9 10 30 4 6 15 31 16 33 25 39 12 10 8 7 3 3 4 5 4 16 15 19 36 96 41 24 16 34 13 14 11 10 4 6 3 3 2 8 11 12 38 100 63 15 20 63 48 4 2 2 17 30 25 7 7 2 12 8 7 4 4 12 62 35 19 11 15 9 9 5 10 8 8 7 4 5 6 13 8 3 8 7 14 15 5 9 12 42 51 31 25 11 49 39 4 15 5 4 4 40 8 1 1 2 1 1 1 1 1 4 2 7 8 1 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 1 1 1 2 1 1 6 3 4 4 4 5 3 7 7 5 4 3 7 5 7 9 31 34 6 36 55 22 7 11 5 4 2 2 2 1 1 2 1 1 1 1 2 2 3 28 51 19 8 5 4 4 2 4 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 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; 1HNMR: 78 77 dd 1H J 20 79 \| 75 74 m 2H \| 65 64 t 1H J 9 \| 37 37 t 2H J 54 \| 35 34 q 2H J 62 \| 28 28 td 2H J 9 53 \| 26 26 s 3H \| 12 12 t 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(C)(C)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1	ir: 2 1 3 2 1 2 1 2 1 1 2 2 1 1 4 4 5 3 2 2 2 2 2 2 2 3 4 2 2 1 2 2 4 2 4 5 2 4 5 8 20 40 19 13 3 0 2 6 6 8 3 4 5 3 15 31 21 27 3 2 5 6 6 8 6 4 3 13 3 2 3 3 1 2 2 2 2 2 3 4 1 1 1 1 1 1 2 2 1 2 3 3 2 3 3 3 3 1 2 2 3 3 2 5 6 4 1 2 1 1 2 1 2 7 11 2 2 2 2 2 2 3 2 2 3 5 2 2 2 1 2 4 3 2 2 1 1 2 2 1 4 8 20 6 11 1 20 46 7 8 7 6 15 5 24 18 4 1 1 2 1 1 2 3 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 6 12 8 14 100 23 7 5 4 3 1 1 2 1 1 2 2 1 2 2 1 1 1 1 2 3 14 12 35 30 14 2 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; 1HNMR: 85 85 s 1H \| 76 75 m 2H \| 75 75 dd 1H J 20 84 \| 74 74 d 1H J 20 \| 72 72 m 2H \| 70 70 d 1H J 84 \| 39 38 d 7H J 92 \| 34 34 s 2H \| 32 32 s 3H \| 14 13 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC(O)c1ccc(OC)c(OC)c1	ir: 2 1 0 1 0 1 1 2 2 1 1 1 0 1 1 1 1 1 0 0 1 1 1 1 1 1 1 2 0 0 0 0 0 0 0 1 0 1 0 1 1 1 0 0 1 1 1 0 0 0 0 0 0 1 2 2 1 0 1 0 1 1 1 2 2 1 1 2 3 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 8 9 4 4 11 9 5 3 3 2 1 0 1 1 2 1 1 1 0 1 0 1 1 1 1 2 1 0 1 1 0 1 1 1 1 4 3 0 0 2 1 1 2 2 3 2 1 2 1 1 1 0 0 0 0 0 1 1 6 5 5 1 1 1 1 4 1 1 1 2 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 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 2 1 1 1 2 1 2 2 3 4 2 4 2 2 1 2 2 3 4 3 7 7 3 3 2 4 6 6 47 69 100 6 2 3 1 1 2 1 0 0 1 1 1 0 1 1 1 1 1 2 1 1 2 2 3 1 1 1 1 1 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; 1HNMR: 70 69 m 1H \| 69 69 dd 1H J 7 18 \| 69 68 d 1H J 83 \| 52 51 m 1H \| 42 41 q 2H J 66 \| 39 38 d 6H J 22 \| 36 36 d 1H J 57 \| 30 29 dd 1H J 75 172 \| 28 27 dd 1H J 75 172 \| 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.
COC(=O)/C=C/c1cc(-c2ccc(O)cc2)n(C2CCCCC2)n1	ir: 4 4 4 2 4 14 6 2 2 4 4 3 3 3 3 3 2 2 3 2 3 2 4 3 5 2 4 3 1 2 2 1 1 3 3 1 3 3 4 2 2 3 2 1 1 2 2 1 2 3 2 3 3 3 8 31 16 9 3 0 4 3 1 0 3 3 2 7 3 9 2 2 3 6 8 8 4 5 4 21 32 100 43 6 4 12 3 6 10 3 2 1 2 2 1 2 2 2 1 1 2 2 7 2 2 3 3 3 6 6 9 14 6 3 3 6 4 3 3 5 4 2 2 10 8 3 2 3 2 3 4 3 8 2 1 2 5 1 1 4 3 1 1 2 4 8 25 14 57 10 6 3 16 2 3 2 3 1 1 2 2 1 1 3 2 1 1 3 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 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 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 2 2 3 1 1 3 3 2 4 4 3 2 2 5 7 4 14 33 11 38 23 50 9 3 5 4 5 43 4 3 2 2 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 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 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; 1HNMR: 78 77 d 1H J 157 \| 75 74 m 2H \| 74 74 s 1H \| 69 68 m 2H \| 66 65 d 1H J 158 \| 65 64 s 1H \| 47 46 p 1H J 37 \| 38 37 s 2H \| 21 20 dddd 2H J 37 53 78 139 \| 19 17 m 4H \| 16 14 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2sccn2c1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccccc1-n1cccn1	ir: 3 13 9 8 4 3 4 5 4 4 4 4 5 3 15 18 6 5 3 5 2 4 5 5 3 2 2 1 3 3 5 3 4 5 5 9 11 7 25 0 10 3 8 17 9 6 15 50 15 3 2 2 2 3 5 5 4 4 3 1 2 1 2 3 2 5 3 2 4 5 2 2 3 2 10 4 2 4 2 2 4 6 2 6 4 3 2 3 7 8 3 3 5 4 2 3 6 5 2 2 2 1 2 3 2 3 2 3 10 11 4 2 3 2 4 6 5 7 3 7 13 8 8 8 3 5 8 4 3 3 3 3 22 27 4 3 7 6 9 9 15 6 12 6 9 7 22 28 4 8 3 2 1 2 2 2 6 2 6 5 2 1 2 8 8 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 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 2 7 7 4 5 3 4 5 13 9 11 18 24 40 100 23 9 20 9 5 4 3 2 2 2 1 1 2 2 1 1 2 1 2 3 4 8 5 5 8 8 2 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; 1HNMR: 81 80 dd 1H J 13 73 \| 80 80 d 1H J 25 \| 78 78 dd 1H J 16 74 \| 78 77 m 1H \| 76 75 td 1H J 16 72 \| 75 75 t 1H J 56 \| 75 74 td 1H J 14 73 \| 73 72 d 1H J 62 \| 70 70 d 1H J 64 \| 65 65 m 1H \| 41 40 dt 1H J 32 55 \| 39 38 dd 1H J 13 107 \| 38 37 ddd 1H J 32 57 121 \| 36 35 m 2H \| 27 26 s 2H \| 15 14 dtd 1H J 44 53 66 \| 12 11 m 2H \| 9 8 ddd 1H J 53 61 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1ccc(CNS(C)(=O)=O)cc1	ir: 4 4 4 3 2 1 0 0 0 1 1 1 0 0 0 1 0 0 0 0 1 3 1 0 0 0 0 0 0 0 0 0 2 1 1 1 1 0 1 1 2 1 2 3 5 5 5 4 3 2 4 9 6 4 7 4 6 5 4 3 2 5 8 0 1 1 1 1 1 6 15 18 10 3 1 4 2 2 1 1 1 1 0 1 1 2 5 2 100 2 3 1 1 2 5 3 3 2 1 2 1 3 3 20 13 24 9 6 1 1 1 1 2 1 2 2 2 1 2 5 3 4 2 1 2 3 3 2 3 5 4 3 2 0 1 1 0 1 0 0 0 0 1 0 0 1 1 5 9 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 1 1 0 1 1 1 1 3 5 3 3 9 15 5 2 2 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 3 8 27 60 8 4 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; 1HNMR: 72 72 dt 2H J 9 82 \| 72 71 dt 2H J 9 82 \| 54 54 t 1H J 75 \| 42 42 dt 2H J 9 75 \| 30 30 s 2H \| 26 25 tt 2H J 9 82 \| 16 15 tt 2H J 67 85 \| 14 13 hept 2H J 68 \| 10 10 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(NN)c1ccncc1	ir: 1 1 1 1 0 1 0 1 1 1 2 2 3 6 7 8 24 6 13 31 13 6 7 5 3 4 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 4 4 3 3 1 1 1 1 1 2 1 2 4 4 12 18 18 4 11 2 8 10 8 3 4 1 1 4 5 5 4 4 2 2 2 2 1 2 2 1 1 2 4 7 7 5 2 3 6 3 1 2 2 3 2 1 2 1 1 1 1 0 1 1 1 1 1 1 1 3 4 5 2 1 3 1 2 1 2 2 1 2 2 1 1 1 1 1 1 2 1 2 4 15 22 19 6 2 5 10 6 6 5 2 8 9 9 8 18 2 2 2 2 1 1 1 1 0 1 3 2 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 6 2 5 7 6 2 2 1 1 1 1 1 2 8 12 17 28 37 37 10 9 15 79 100 26 31 47 11 10 6 2 1 2 2 0 1 1 1 0 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 0 1 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; 1HNMR: 86 85 m 2H \| 81 81 t 1H J 30 \| 74 74 m 2H \| 73 73 s 1H \| 54 54 d 2H J 29	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=Cc2cc(Br)cc(Br)c2NC1C(F)(F)F	ir: 3 4 1 2 4 1 1 10 5 5 65 3 9 3 3 2 3 9 13 30 100 6 2 8 4 5 5 2 2 1 1 1 2 1 2 6 3 2 2 4 3 4 6 39 72 3 2 6 3 3 1 4 2 0 2 3 1 1 1 3 1 0 9 2 2 6 5 10 3 3 8 4 3 1 6 11 2 1 1 2 1 1 3 4 2 2 4 3 2 1 1 1 1 3 1 1 4 72 7 3 21 8 7 17 7 2 7 2 1 2 3 1 1 7 7 18 47 26 9 10 4 3 4 2 1 2 3 5 5 23 11 2 1 2 2 1 0 2 2 2 1 3 54 11 1 2 3 0 19 42 6 4 34 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 2 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 3 2 1 1 2 2 2 11 6 22 9 24 5 1 2 5 1 0 1 2 1 1 1 1 1 1 2 2 2 1 2 2 2 5 14 55 68 19 5 4 8 3 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; 1HNMR: 82 81 dq 1H J 31 94 \| 79 79 d 1H J 18 \| 77 77 d 1H J 22 \| 75 75 d 1H J 22 \| 47 46 qdd 1H J 17 97 115 \| 43 42 q 2H J 71 \| 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.
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)C2(C)CC2)C3)cc1	ir: 2 3 1 2 1 3 1 2 2 2 4 5 3 2 3 3 5 16 9 4 5 6 8 12 4 6 9 6 3 1 4 3 3 4 3 5 17 23 16 13 36 6 52 15 6 6 14 11 34 33 25 62 41 22 15 18 7 8 10 4 4 2 2 5 3 2 4 3 4 4 2 2 11 26 5 2 3 2 4 7 9 6 3 3 1 2 8 4 6 4 5 3 3 3 3 4 6 8 11 4 4 12 9 11 31 9 4 2 3 2 3 6 3 6 8 4 4 3 4 4 4 7 6 5 3 6 8 14 21 13 6 3 3 3 3 4 3 8 11 9 1 5 5 4 32 11 15 79 30 38 100 81 82 80 26 9 5 0 2 3 2 1 2 6 9 0 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 2 3 3 3 3 2 2 3 16 11 8 11 8 8 60 13 9 6 9 6 3 2 2 3 2 2 2 2 2 2 2 2 2 3 3 4 8 15 42 44 18 9 4 4 2 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 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 m 2H \| 79 79 s 1H \| 77 76 m 2H \| 63 62 t 1H J 38 \| 46 46 s 2H \| 39 38 t 2H J 53 \| 38 37 m 4H \| 34 34 dd 4H J 47 55 \| 33 32 qd 2H J 37 61 \| 30 30 td 2H J 10 52 \| 14 13 m 2H \| 12 12 t 3H J 61 \| 11 11 m 2H \| 11 10 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCC2(CCN(C3Cc4ccccc4C3)C2)C1	ir: 1 2 1 1 1 1 1 3 2 3 1 3 5 5 1 1 0 1 1 1 0 1 1 2 2 2 1 0 1 1 1 0 0 1 1 0 1 1 2 1 4 18 18 3 1 2 2 3 2 2 2 1 1 1 6 23 23 12 2 2 1 1 1 0 1 2 1 0 5 5 1 0 1 1 1 1 1 1 5 1 1 1 2 2 2 3 4 5 11 2 3 3 4 5 3 1 1 1 1 2 1 2 1 4 15 2 1 1 1 2 1 2 1 1 1 0 1 1 0 1 1 1 1 2 3 1 1 2 1 1 0 1 1 2 0 1 1 6 2 7 1 0 1 2 13 1 1 20 3 10 5 25 31 21 4 2 1 2 1 1 0 2 1 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 1 1 0 1 1 1 2 1 1 1 1 1 2 2 1 10 3 22 100 21 5 2 3 2 2 1 1 1 0 1 1 1 0 1 1 1 0 2 2 2 2 8 19 10 3 0 0 1 2 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; 1HNMR: 87 86 s 1H \| 76 75 m 2H \| 73 72 tt 2H J 15 88 \| 72 72 s 4H \| 71 70 m 2H \| 69 69 m 2H \| 36 35 m 2H \| 35 34 ddd 1H J 31 49 130 \| 34 33 m 1H \| 33 32 p 1H J 55 \| 32 31 dd 2H J 56 137 \| 29 28 m 5H \| 27 26 ddd 1H J 31 50 123 \| 26 25 dd 1H J 8 119 \| 19 19 ddd 1H J 32 51 129 \| 18 17 ddd 1H J 30 49 124 \| 17 16 ddd 1H J 30 49 127 \| 15 14 ddd 1H J 31 50 126	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)C(CCN1CCC(c2ccccc2O)CC1)(c1ccccc1)c1ccccc1	ir: 4 6 8 9 8 5 6 4 1 3 6 6 3 5 10 10 2 3 6 3 2 5 5 1 41 7 9 3 3 9 6 10 17 13 12 11 100 23 17 5 11 60 97 36 20 18 4 2 6 2 3 2 2 4 6 3 6 4 2 4 5 4 2 4 4 5 3 3 7 10 21 13 3 6 15 15 25 29 21 17 11 7 7 14 15 6 61 31 10 7 5 11 13 11 13 14 12 5 7 4 4 3 3 4 6 7 8 4 9 7 3 5 8 4 8 7 15 12 16 8 8 4 15 11 8 9 3 16 12 6 8 8 13 7 34 44 21 24 5 7 5 10 11 11 37 44 15 82 19 9 6 3 2 10 6 3 3 1 1 7 3 4 2 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 1 2 1 0 2 2 1 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 1 4 4 4 3 3 3 3 4 5 6 16 15 49 75 67 71 29 11 5 5 5 2 63 10 3 2 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 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 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 2; 1HNMR: 74 73 ddt 6H J 18 33 44 \| 73 72 m 4H \| 72 72 ddd 1H J 8 21 77 \| 71 70 pd 2H J 17 76 \| 68 67 dd 1H J 19 82 \| 54 54 s 1H \| 31 30 ddd 2H J 55 82 115 \| 30 29 pd 1H J 7 53 \| 28 27 s 5H \| 27 26 m 2H \| 26 26 m 2H \| 25 24 ddd 2H J 55 82 115 \| 21 20 ddt 2H J 54 82 125 \| 19 18 ddt 2H J 55 82 127	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)O)c2)cc1	ir: 1 1 1 1 2 2 2 1 2 2 2 13 4 6 14 7 6 3 4 5 4 20 37 28 7 2 1 3 2 1 1 2 2 2 2 2 1 0 1 1 1 1 1 2 1 1 1 2 2 1 4 8 5 7 8 2 3 6 4 1 3 5 2 5 3 2 2 3 2 2 3 2 3 2 2 3 5 4 7 14 11 9 5 5 4 8 13 18 8 2 3 2 2 7 4 2 1 1 2 2 5 8 2 2 1 1 2 2 1 1 2 9 5 3 1 1 1 2 1 2 5 4 5 3 2 2 1 5 3 4 2 2 1 1 2 1 1 1 2 1 2 17 37 14 6 3 1 2 3 9 9 5 5 2 7 21 1 3 2 1 1 2 3 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 3 2 6 10 19 13 4 8 5 9 3 7 84 100 5 0 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 99 99 s 1H \| 77 76 m 2H \| 76 76 dd 1H J 8 161 \| 71 70 m 2H \| 68 68 t 1H J 17 \| 67 66 m 2H \| 65 64 d 1H J 161 \| 29 29 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cnn(Cc2ccncc2)c1	ir: 45 47 67 81 41 21 62 43 59 38 71 35 25 57 67 38 6 33 30 51 19 17 22 11 32 18 20 7 6 16 15 13 5 7 8 7 7 9 5 3 5 6 7 4 3 4 3 4 4 4 5 3 4 5 3 2 4 7 5 4 3 3 7 17 12 23 30 16 19 22 39 42 48 27 8 5 8 8 6 3 7 31 26 75 26 12 7 11 27 31 11 6 3 4 5 3 3 6 8 10 3 1 1 1 1 2 1 2 15 13 10 2 8 2 1 1 3 4 5 4 10 5 8 6 6 5 2 4 2 1 6 9 4 1 3 3 2 1 1 1 2 1 1 4 3 4 17 12 41 34 78 40 100 45 29 11 6 3 11 84 41 49 37 9 4 3 2 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 1 1 1 0 1 0 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 2 3 4 2 3 1 2 8 6 21 29 13 23 10 29 21 8 6 5 3 1 1 2 1 1 1 2 2 6 24 47 51 5 2 1 1 1 1 2 6 8 36 44 23 4 5 2 1 1 1 1 2 1 0 0 1 0 0 0 0 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 0 1 1 1 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; 1HNMR: 85 85 m 2H \| 73 72 m 3H \| 71 71 s 1H \| 54 53 q 2H J 8 \| 29 29 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(N)nc3cc(Cl)ccc3c2n1	ir: 4 3 2 3 2 4 2 2 3 3 2 2 5 6 4 5 2 7 3 5 1 3 3 2 3 2 2 2 2 9 2 11 4 7 6 2 3 2 1 3 2 6 2 2 2 2 1 1 1 2 42 15 5 7 4 0 1 3 1 2 2 7 1 2 2 3 4 7 30 7 2 1 2 2 1 1 1 2 2 1 9 5 0 0 1 1 0 1 6 1 3 3 2 1 0 1 2 2 1 1 1 1 0 1 2 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 2 1 1 3 3 2 1 2 5 3 1 1 1 1 0 1 3 2 21 21 6 3 2 4 3 6 5 4 17 19 32 8 19 16 13 8 6 13 2 1 1 1 2 3 49 3 4 5 1 1 1 2 1 0 1 1 1 1 1 1 1 0 0 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 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 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 2 2 3 1 4 7 8 26 16 11 3 2 2 3 2 2 2 2 1 2 2 2 2 0 4 12 75 3 3 3 2 2 1 1 3 2 3 9 100 1 2 1 0 0 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 1 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 83 d 1H J 93 \| 81 81 d 1H J 88 \| 79 78 d 1H J 22 \| 74 74 dd 1H J 22 93 \| 72 72 s 2H \| 71 70 dq 1H J 9 87 \| 26 26 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC(CC=C)OC	ir: 1 1 4 2 1 0 1 1 1 0 0 1 1 3 4 1 2 2 1 1 1 3 2 2 2 3 4 7 17 14 18 17 9 5 2 3 3 3 2 1 1 1 1 1 2 6 3 0 1 1 2 1 3 2 3 6 2 3 2 1 2 3 5 40 16 19 14 6 5 8 44 100 38 9 10 8 18 4 2 5 12 14 6 7 4 5 2 2 2 6 11 8 4 2 1 0 1 0 1 1 1 1 0 1 2 3 3 3 1 1 1 1 2 1 2 1 2 3 3 13 20 17 20 6 2 19 24 11 11 7 4 2 3 2 2 2 13 80 43 26 9 7 3 4 4 2 2 1 1 1 1 1 1 1 1 1 2 6 4 1 2 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 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 0 0 1 0 0 0 1 1 1 1 1 2 0 4 7 5 4 5 9 14 43 13 33 49 23 45 47 13 7 13 17 14 15 24 6 5 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 58 56 ddtd 2H J 18 82 112 165 \| 51 51 ddt 2H J 12 24 166 \| 51 50 m 2H \| 35 33 dtdd 1H J 16 59 75 91 \| 32 32 d 3H J 15 \| 24 22 m 2H \| 21 20 dtt 2H J 15 82 146	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2nc(CCNCC3CC3)[nH]c2cc1C	ir: 1 0 1 8 5 13 2 1 1 2 5 2 4 4 11 8 5 1 1 2 1 15 15 7 14 3 3 1 1 5 6 3 3 20 17 18 4 1 3 4 6 6 10 11 11 24 9 9 5 5 8 1 8 2 2 8 8 10 7 1 2 3 3 7 5 8 11 6 4 11 14 6 18 2 13 1 1 1 2 1 1 1 2 3 1 2 2 2 1 1 1 3 2 4 14 2 2 3 3 2 4 4 0 1 2 2 2 8 12 14 13 11 13 11 5 18 15 6 4 3 13 13 4 4 8 14 5 2 4 4 5 9 8 11 7 3 2 4 11 14 3 3 6 3 3 3 13 16 5 6 9 1 4 7 100 16 1 1 1 0 1 1 1 1 1 1 0 0 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 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 1 0 0 0 1 0 0 1 1 1 1 1 1 2 1 1 1 2 2 2 2 7 13 6 10 18 12 31 12 5 11 4 4 2 0 2 2 1 1 2 3 4 3 11 42 49 56 49 13 9 8 14 27 27 8 2 2 1 1 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 98 s 1H \| 74 74 d 1H J 8 \| 73 73 d 1H J 7 \| 36 36 tt 1H J 50 58 \| 31 31 dt 2H J 45 58 \| 27 27 t 2H J 45 \| 26 26 dd 2H J 39 50 \| 24 23 d 6H J 108 \| 11 10 pt 1H J 38 57 \| 5 4 m 2H \| 2 2 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@@H](COCc1ccccc1)C(=O)Nc1cccc(Oc2ccccc2)c1	ir: 3 1 0 2 2 3 5 4 1 2 1 1 1 1 1 1 1 1 0 1 2 3 1 2 2 3 2 5 3 6 7 10 3 2 1 2 2 5 12 27 40 19 12 2 6 5 6 10 7 3 3 0 2 1 1 0 1 1 1 3 5 2 11 5 8 2 8 13 8 11 47 8 12 3 1 2 10 48 68 9 3 2 3 18 3 1 1 1 9 2 2 4 1 1 1 1 1 1 1 1 1 1 1 2 3 7 2 1 1 1 1 1 4 3 1 1 1 1 1 1 4 3 3 3 4 3 1 8 10 5 2 3 19 23 6 21 7 1 2 3 1 2 5 41 11 7 27 8 3 1 1 11 6 2 1 5 15 4 2 7 2 1 23 1 1 1 1 0 1 1 0 1 0 1 1 1 1 0 0 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 1 1 0 0 1 1 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 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 1 1 1 1 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 8 8 26 100 28 12 7 2 2 2 2 2 2 2 2 1 3 1 6 35 8 9 5 4 4 29 25 11 11 7 1 1 1 1 1 1 0 1 1 1 1 0 0 0 1 0 0 0 0 0 0 1 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; 1HNMR: 90 90 s 1H \| 74 73 m 11H \| 71 71 tt 1H J 14 75 \| 70 70 m 2H \| 67 67 m 1H \| 54 53 d 2H J 65 \| 45 44 m 2H \| 40 39 tt 1H J 38 64 \| 39 39 dd 1H J 38 132 \| 37 36 dd 1H J 38 132	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2ccc(N3CCC(N4CCc5ccc(C(F)(F)F)cc54)CC3)nn2)cn1	ir: 7 8 6 3 4 3 4 5 2 4 4 9 5 5 3 8 4 17 8 3 1 3 5 5 1 4 3 2 4 3 2 1 1 3 2 1 1 2 2 1 2 2 2 1 2 4 2 1 2 5 6 4 6 84 29 9 7 6 6 2 2 4 2 2 3 9 6 28 6 8 3 5 4 5 3 2 4 5 9 1 2 2 2 2 2 15 4 3 11 6 35 7 6 4 3 3 5 8 14 9 25 12 1 2 3 3 4 4 9 5 5 5 14 26 4 7 7 3 6 4 5 4 5 5 20 8 13 9 4 16 5 5 11 13 3 6 3 13 77 35 9 2 2 15 15 9 7 3 3 3 5 17 15 4 14 13 7 3 2 4 2 1 8 4 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 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 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 3 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 2 1 1 2 2 0 1 3 2 1 2 3 5 2 3 4 2 2 3 3 4 3 11 14 24 100 26 15 15 18 4 4 2 1 2 2 1 1 2 2 1 1 1 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 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 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; 1HNMR: 81 81 s 1H \| 78 77 d 1H J 75 \| 77 77 s 1H \| 72 71 ddt 1H J 14 35 75 \| 71 71 m 2H \| 70 70 d 1H J 75 \| 41 41 p 1H J 54 \| 39 39 s 3H \| 39 38 ddd 2H J 55 82 137 \| 37 36 m 4H \| 30 29 td 2H J 8 44 \| 22 21 ddt 2H J 55 82 117 \| 19 19 ddt 2H J 55 83 117	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(OCCCCNC(=O)OC(C)(C)C)ccc(Br)c1O	ir: 17 6 11 9 5 7 5 3 4 6 2 2 4 3 2 2 1 2 3 2 2 5 5 5 5 7 15 14 15 15 36 25 14 32 10 7 6 10 6 5 3 11 21 6 4 3 3 2 1 1 2 2 7 35 16 2 2 6 3 0 2 6 11 2 2 2 2 1 1 2 2 1 1 4 3 2 2 2 1 1 1 1 1 2 11 3 1 2 4 10 3 1 2 3 3 9 37 33 10 3 6 2 2 1 1 1 1 1 2 3 12 4 23 7 10 4 16 4 4 8 3 5 8 5 17 3 3 14 2 5 7 10 3 2 1 2 3 3 2 2 2 1 2 12 7 24 100 22 9 86 18 8 2 2 4 8 1 2 2 3 14 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 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 1 1 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 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 1 1 3 2 2 2 2 1 1 2 3 3 4 26 5 17 12 10 17 34 88 27 8 4 1 2 2 1 3 2 2 1 0 1 1 1 1 1 4 6 13 33 31 10 4 4 4 1 1 1 1 1 1 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 0 0 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 75 d 1H J 93 \| 67 66 d 1H J 93 \| 49 48 t 1H J 49 \| 40 40 t 2H J 57 \| 39 39 s 3H \| 31 31 q 2H J 53 \| 19 18 m 2H \| 17 16 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.
O=CC(=O)c1ccc(F)c(C(F)(F)F)c1	ir: 7 2 0 3 3 2 7 9 3 4 2 28 17 8 4 4 2 3 3 3 3 4 5 10 11 14 7 7 7 6 12 16 12 5 5 5 60 14 7 8 8 1 1 3 2 0 1 3 2 28 4 2 2 1 7 3 2 1 5 3 1 1 2 2 1 1 2 5 8 5 3 3 2 1 2 9 4 1 2 3 1 1 2 2 1 1 2 2 1 3 14 5 2 2 3 2 2 2 30 36 42 6 39 60 2 23 8 2 1 2 3 2 13 25 7 2 1 2 5 2 3 9 7 51 11 35 10 3 2 2 3 1 1 3 3 16 22 5 8 4 4 4 22 24 4 4 1 1 4 57 23 11 8 4 3 1 4 3 2 1 1 2 1 0 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 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 1 1 0 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 0 1 2 1 1 1 2 1 1 3 6 4 2 23 100 51 9 4 3 4 3 2 3 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 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 0; 1HNMR: 96 95 s 1H \| 83 82 ddq 1H J 13 26 36 \| 79 79 ddd 1H J 21 39 73 \| 74 74 dd 1H J 72 102	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCNC(=O)c1ccc2cc(I)ccc2n1	ir: 11 14 13 14 5 6 4 3 9 11 6 8 22 8 7 10 9 11 15 4 3 3 4 7 2 1 4 13 17 15 9 16 20 12 3 11 8 8 29 37 31 39 33 17 25 7 12 10 10 4 4 7 8 2 25 63 44 32 14 3 4 4 6 8 11 5 3 8 18 11 7 8 5 10 2 2 1 4 5 7 6 11 36 78 10 5 9 22 12 8 21 9 14 4 4 8 17 11 8 4 15 23 11 4 6 30 2 3 6 3 1 5 15 26 7 7 3 13 14 9 22 33 16 17 7 9 10 4 5 5 14 100 14 18 18 20 26 3 3 4 8 21 49 69 17 57 49 34 22 69 8 8 6 5 5 86 44 43 8 7 3 1 1 2 1 0 2 2 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 0 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 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 2 1 1 1 1 1 0 3 4 3 2 2 3 2 1 2 2 2 4 3 5 5 12 39 33 43 79 63 10 14 11 6 3 2 2 2 1 1 2 1 2 2 5 4 4 4 5 6 8 21 28 53 58 16 8 10 3 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; 1HNMR: 84 83 dd 1H J 22 82 \| 83 82 d 1H J 83 \| 81 81 t 1H J 22 \| 80 79 d 1H J 77 \| 78 78 m 2H \| 35 35 q 2H J 47 \| 29 28 t 2H J 46 \| 25 25 q 4H J 69 \| 11 11 t 6H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1nccc(-c2cccnc2Cl)n1	ir: 6 7 13 11 6 5 4 3 1 2 2 4 5 3 2 4 2 2 2 3 2 1 3 3 2 2 2 4 4 2 2 2 3 4 2 2 48 58 3 2 3 3 1 1 1 2 1 1 2 2 7 9 58 85 21 5 4 4 2 2 2 2 4 6 3 5 2 1 2 2 3 4 5 9 9 5 4 4 1 1 2 3 5 2 2 2 3 2 2 1 1 1 1 1 1 1 5 7 2 3 2 2 1 1 2 1 1 1 2 2 4 4 2 1 1 3 1 1 2 2 2 3 2 4 7 30 10 3 3 2 1 1 5 6 3 2 1 18 20 11 4 2 2 5 11 11 9 100 67 26 4 3 8 27 32 11 4 7 14 24 5 0 1 2 1 1 1 2 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 1 3 3 4 14 10 4 2 2 2 2 1 1 1 1 1 1 1 2 2 2 2 2 2 1 2 4 4 16 33 23 9 9 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; 1HNMR: 86 85 d 1H J 48 \| 85 84 dd 1H J 20 40 \| 82 82 dd 1H J 22 84 \| 75 75 d 1H J 48 \| 75 74 dd 1H J 40 84 \| 60 60 q 1H J 48 \| 30 30 d 3H J 46	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(O[C@@H]2CCN(C3COC3)C[C@H]2F)c(C(F)(F)F)c1	ir: 69 51 32 15 22 22 12 17 11 8 3 8 9 5 4 5 5 5 4 4 6 11 2 5 8 3 3 5 9 21 9 5 6 4 4 6 9 4 4 5 6 4 4 5 6 4 4 12 6 3 4 17 27 45 39 16 11 11 6 5 3 5 4 5 7 5 8 31 10 7 14 4 12 37 7 6 11 4 5 4 31 8 27 15 5 12 11 5 4 5 11 9 13 27 6 6 5 7 24 44 10 8 11 9 5 13 60 18 7 10 16 16 5 4 5 4 5 4 5 3 3 5 6 7 2 4 5 3 2 8 4 3 4 12 6 3 2 4 4 2 3 5 4 13 7 4 4 1 2 6 6 0 5 15 40 16 100 13 6 9 5 4 4 33 25 6 3 4 3 2 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 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 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 3 2 4 3 3 3 3 3 3 3 3 3 3 3 5 4 3 5 7 6 9 4 5 6 4 4 8 22 11 13 70 19 9 7 5 3 3 3 4 3 2 3 3 2 2 3 4 5 42 59 5 3 2 5 4 2 2 5 5 5 80 48 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 4 3 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 71 71 dq 1H J 9 20 \| 69 68 d 1H J 82 \| 67 66 dd 1H J 21 81 \| 47 46 td 1H J 27 54 \| 46 45 m 2H \| 41 40 m 1H \| 39 39 dd 2H J 37 92 \| 37 36 dd 2H J 38 91 \| 36 35 p 1H J 38 \| 31 30 ddd 1H J 27 129 170 \| 30 30 ddd 1H J 70 97 121 \| 28 27 m 2H \| 22 21 dddt 1H J 35 70 97 124 \| 20 19 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1cc(C(=O)O)cnc1C(=O)O	ir: 1 2 1 7 4 2 2 2 2 7 6 4 4 4 6 5 5 12 8 13 27 100 53 15 9 10 6 8 3 5 3 2 3 6 3 1 1 2 1 54 2 2 2 1 1 2 1 0 1 1 1 0 1 2 3 1 2 2 2 1 1 2 1 1 1 1 1 3 7 3 2 1 5 3 6 2 15 33 24 5 4 72 8 5 6 7 4 21 2 1 1 1 1 1 1 1 1 1 1 9 2 1 1 1 1 1 0 1 2 2 15 2 1 2 2 2 15 3 1 1 1 1 1 1 2 2 2 33 18 1 1 1 2 1 0 1 1 1 0 1 1 0 1 2 5 46 3 2 3 1 1 3 2 1 6 12 1 2 1 1 1 10 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 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 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 5 8 2 1 1 1 1 1 1 0 4 58 3 3 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 0 1 1; 1HNMR: 90 90 d 1H J 16 \| 84 84 d 1H J 18 \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCCCC1CCCCC1)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=O)C1CC1	ir: 4 2 3 1 1 1 1 1 0 1 4 3 2 5 3 4 5 3 5 3 1 2 3 13 7 6 14 22 27 18 9 6 8 19 9 8 29 18 29 20 9 8 6 7 11 6 3 3 6 8 4 3 5 9 8 9 6 9 6 12 4 2 2 1 2 1 1 1 2 2 1 1 3 4 5 2 4 3 3 3 8 1 1 2 2 10 9 1 3 4 6 1 2 1 1 3 2 4 4 3 16 8 6 3 5 4 11 8 8 14 5 4 9 9 4 3 6 9 2 11 8 6 13 13 10 12 7 4 5 5 1 2 3 1 2 1 2 2 2 8 8 9 7 13 16 30 100 23 44 47 23 7 3 2 3 2 1 0 1 2 1 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 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 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 2 1 1 0 2 2 4 4 5 4 4 1 8 17 23 11 19 7 5 2 3 5 8 5 2 3 2 2 1 2 1 0 1 1 1 1 1 5 2 2 9 31 90 30 7 16 9 4 4 3 2 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 0 0 1 1 1 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 1 1 1 0 1 1 1 0 1 1; 1HNMR: 67 66 d 1H J 90 \| 65 64 d 1H J 88 \| 46 45 pd 1H J 7 22 \| 45 44 m 1H \| 42 41 m 2H \| 40 39 ddd 2H J 23 59 114 \| 38 37 dddt 2H J 18 40 60 118 \| 23 22 m 3H \| 16 15 m 2H \| 15 12 m 14H \| 12 11 m 2H \| 11 10 m 2H \| 9 8 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCNC(=O)/C=C/[C@@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(C)C	ir: 2 1 1 2 2 1 1 3 2 2 3 4 6 2 2 5 3 3 2 3 3 9 4 5 3 2 2 4 2 3 1 2 2 1 5 11 4 5 1 3 2 1 1 2 2 2 2 3 2 1 3 4 1 0 2 4 1 0 3 3 2 0 3 7 5 6 11 7 5 2 7 4 3 2 3 3 2 3 1 5 3 1 3 6 10 5 8 7 10 6 5 5 4 1 3 2 2 2 3 1 1 2 2 1 0 2 3 2 2 3 4 4 2 3 3 3 2 3 2 2 2 4 3 2 2 3 2 1 4 3 3 3 14 17 4 4 3 2 1 1 1 2 3 4 16 17 10 20 5 3 2 1 1 2 1 0 1 1 1 0 1 2 1 0 2 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 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 2 4 2 1 1 3 2 3 2 3 14 7 3 3 1 1 2 3 5 17 100 40 5 3 3 3 2 8 8 4 2 1 1 1 2 11 11 21 9 4 4 2 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 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; 1HNMR: 69 68 t 1H J 50 \| 67 66 dddt 1H J 9 16 93 165 \| 61 61 m 1H \| 36 35 tdd 1H J 43 61 70 \| 32 31 m 4H \| 29 28 h 1H J 62 \| 28 28 d 1H J 44 \| 24 23 dtdd 1H J 31 63 79 94 \| 18 15 m 7H \| 15 13 m 12H \| 12 11 m 2H \| 10 9 t 3H J 67 \| 9 8 ddd 6H J 15 65 233	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(=O)[C@H]1O[C@@H]1C	ir: 8 23 8 5 1 4 5 3 2 2 7 5 3 4 3 1 1 2 1 1 1 1 2 1 1 1 2 2 2 2 13 4 2 2 2 5 22 26 9 4 2 4 3 0 3 2 5 1 4 2 2 3 3 3 2 1 2 3 3 4 5 4 3 2 2 3 5 2 11 5 2 3 3 2 4 6 2 2 4 4 21 6 1 3 5 8 1 1 2 1 1 1 2 1 3 4 3 20 3 3 3 2 1 2 4 11 21 13 3 4 3 6 34 5 3 9 4 9 6 8 4 4 4 13 2 3 2 1 2 2 2 1 2 2 3 2 2 6 5 18 18 9 11 29 100 4 5 5 2 0 1 2 2 1 2 4 16 2 6 6 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 2 2 3 3 3 4 2 3 2 5 7 19 47 45 26 8 3 2 1 2 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 1 1 1 1 1 1 1; 1HNMR: 42 41 m 2H \| 35 34 p 1H J 54 \| 33 32 d 1H J 51 \| 16 15 p 2H J 69 \| 14 13 h 2H J 71 \| 13 12 d 3H J 55 \| 10 9 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1nc(N)c2nc(OC)n(Cc3ccc(O)cc3)c2n1	ir: 4 2 1 1 3 3 1 4 3 5 3 11 6 9 8 6 7 4 2 6 3 5 12 3 5 5 7 6 3 10 5 5 4 4 2 5 8 15 9 8 13 6 6 3 5 8 10 13 6 14 5 5 4 3 5 15 67 15 5 2 2 1 3 11 2 3 3 3 5 7 2 3 3 9 4 3 5 4 2 14 21 11 1 3 1 1 4 8 19 36 4 3 3 2 4 3 5 9 14 7 6 5 3 2 7 44 64 13 4 3 4 6 12 4 17 16 3 10 19 20 5 6 8 5 6 3 1 11 2 1 1 1 5 18 6 4 9 2 1 0 0 1 1 1 3 4 8 21 34 6 3 4 11 17 1 2 1 1 0 1 1 3 3 15 2 1 1 3 13 1 1 1 0 1 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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 2 1 2 2 4 12 3 5 9 6 6 4 3 5 9 4 6 15 32 51 10 15 47 34 9 8 4 8 13 10 100 13 9 5 5 2 0 87 58 7 4 2 1 6 18 68 5 2 2 1 1 3 1 1 1 1 1 1 3 2 3 2 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; 1HNMR: 76 76 s 1H \| 71 70 dt 2H J 9 85 \| 70 70 s 2H \| 67 66 m 2H \| 54 54 d 2H J 9 \| 43 43 t 2H J 81 \| 40 39 s 2H \| 19 18 tt 2H J 69 83 \| 15 14 h 2H J 69 \| 10 9 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)COc1cccc(C(O)C(c2ccccc2)C2SCCCS2)c1	ir: 0 1 2 1 2 4 6 5 4 5 5 6 5 4 6 2 6 6 9 9 8 3 4 7 9 23 8 12 25 31 15 10 7 21 31 14 7 2 6 7 2 6 7 1 4 4 6 10 21 7 3 2 2 2 4 7 4 2 2 4 2 2 2 3 2 2 2 3 3 11 13 11 10 7 4 2 5 5 3 3 3 3 2 3 10 6 15 17 13 8 6 5 5 2 2 2 6 4 1 2 2 2 2 1 3 4 1 5 4 2 6 1 2 1 0 1 2 1 4 8 6 5 1 3 4 3 3 4 2 2 0 1 2 1 1 6 10 1 1 1 3 7 4 8 5 9 9 2 2 1 0 2 4 2 4 11 10 30 7 4 3 3 3 2 1 0 1 1 1 0 0 1 0 0 1 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 0 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 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 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 4 3 1 2 3 5 3 17 7 9 23 100 66 12 6 2 2 3 7 18 18 4 2 2 2 1 1 2 5 10 2 2 1 1 1 1 1 1 1 2 4 10 10 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 1 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; 1HNMR: 73 73 m 3H \| 73 73 s 2H \| 73 72 m 2H \| 69 69 m 3H \| 69 68 dt 1H J 12 77 \| 52 52 m 1H \| 47 47 d 1H J 68 \| 46 45 s 2H \| 37 37 m 1H \| 32 31 d 1H J 51 \| 29 29 m 2H \| 28 27 m 2H \| 19 18 p 2H J 52	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cccc(-n2nnn(C)c2=O)c1CBr	ir: 1 1 1 2 1 1 1 1 1 1 1 1 1 2 8 2 4 6 5 5 2 3 2 1 1 4 3 1 1 3 2 2 8 10 11 33 31 5 1 3 2 1 3 4 4 8 3 12 39 5 3 3 2 0 2 2 2 1 2 2 1 3 2 1 1 0 2 2 2 1 2 3 3 3 6 8 5 2 2 1 1 4 2 8 1 1 1 1 2 14 6 2 1 3 4 1 1 1 1 1 1 1 1 3 5 12 8 2 1 3 5 18 5 5 4 2 3 2 1 3 2 3 2 3 3 3 3 8 2 1 1 2 2 2 4 5 2 5 6 19 23 7 5 2 1 1 1 7 2 2 2 2 1 1 2 3 27 100 36 11 2 2 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 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 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 2 2 1 1 2 1 7 9 3 2 2 3 1 2 9 14 22 17 71 19 4 4 3 1 2 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; 1HNMR: 74 74 dd 1H J 12 70 \| 72 71 dd 1H J 70 82 \| 67 67 dd 1H J 11 82 \| 46 46 s 2H \| 41 40 q 2H J 63 \| 36 36 s 3H \| 15 14 t 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1cccc(-n2c(C)ccc2C)n1	ir: 2 1 0 1 3 2 1 2 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 3 6 1 1 1 2 3 1 1 1 0 1 3 5 7 19 19 20 5 4 2 3 2 2 2 6 11 3 2 3 4 8 8 7 4 2 2 4 5 4 8 3 5 2 2 1 1 4 8 11 3 2 1 3 1 1 1 1 1 1 1 2 1 1 1 1 1 4 3 1 1 1 1 1 1 2 4 14 6 5 5 5 5 5 2 0 2 3 4 1 2 2 1 1 2 5 13 2 3 5 13 5 14 33 3 2 2 1 2 5 11 6 2 27 14 1 1 1 1 1 5 4 1 14 95 6 76 100 4 2 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 3 3 3 3 6 2 7 5 18 11 1 11 39 40 27 22 4 4 2 2 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: 80 80 dd 1H J 63 70 \| 74 74 dd 1H J 12 63 \| 70 69 dq 1H J 10 71 \| 57 57 s 2H \| 26 25 td 2H J 9 62 \| 22 22 s 6H \| 18 17 qt 2H J 63 80 \| 10 10 t 3H J 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCN(c1cc(Cl)cnc1C(=O)c1cccnc1OC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	ir: 2 3 12 9 6 7 3 4 9 6 5 3 3 1 4 2 1 4 7 5 2 3 10 6 3 2 1 3 3 7 5 1 6 3 5 4 5 4 23 36 17 12 4 11 2 65 5 4 3 3 2 1 1 3 7 10 4 5 5 3 5 4 10 30 8 1 4 17 5 7 2 7 7 7 2 0 1 2 2 6 12 6 24 17 35 30 10 14 6 9 4 4 5 5 19 16 4 4 7 19 1 4 3 1 1 8 2 1 0 1 3 1 3 23 5 2 9 10 2 3 5 32 4 3 20 5 13 20 11 3 5 56 10 4 2 1 0 2 4 3 3 17 3 2 1 2 6 7 6 3 16 3 2 2 45 14 3 51 6 3 3 3 1 0 1 1 1 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 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 7 6 10 100 15 18 7 2 2 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 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 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 86 85 d 1H J 18 \| 83 83 dd 1H J 20 44 \| 80 80 p 1H J 9 \| 80 79 dd 1H J 20 77 \| 78 77 d 1H J 16 \| 77 77 d 2H J 11 \| 73 72 dd 1H J 44 77 \| 53 52 s 2H \| 40 40 s 3H \| 33 33 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=N[C@@H]1CNC[C@H]1O	ir: 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 5 5 5 4 5 6 7 4 4 4 4 4 4 4 4 5 7 9 9 9 7 7 5 6 6 5 7 6 6 6 7 4 7 5 5 5 4 4 4 4 4 4 5 5 7 11 12 14 13 14 7 5 5 5 4 5 5 4 5 4 4 5 6 7 9 10 10 7 8 8 6 6 4 4 4 4 4 4 4 4 5 5 4 4 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 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 5 4 5 6 5 3 4 5 4 3 4 7 5 0 49 11 100 12 4 3 5 5 4 3 4 5 5 4 6 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 41 40 m 3H \| 37 37 d 1H J 39 \| 34 33 m 3H \| 31 30 ddt 1H J 22 35 124	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(C)(COC)C(=O)NCCCN(C)CC[C@@]1(O)CCc2cc(F)ccc2[C@@H]1C(C)C	ir: 3 6 13 7 3 6 2 5 2 4 15 8 3 5 2 6 2 2 2 1 5 6 5 6 10 11 14 28 25 35 26 15 24 13 58 11 10 43 45 16 9 12 6 10 7 4 2 2 1 3 9 3 2 4 16 38 13 11 4 6 1 1 3 4 7 13 28 30 32 5 2 2 2 1 4 11 3 2 5 6 3 11 7 8 4 60 28 9 5 14 4 9 20 12 7 26 27 29 21 11 9 7 9 8 4 14 7 19 29 36 9 10 11 4 5 18 6 9 7 8 11 8 1 6 5 5 8 12 11 3 6 9 8 2 1 4 2 3 5 2 2 1 20 3 9 19 52 56 18 12 3 8 2 4 1 1 2 1 1 1 1 13 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 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 0 1 2 1 2 2 2 3 3 4 3 3 4 5 5 4 5 7 8 4 6 47 14 70 57 100 46 9 2 1 1 2 1 2 1 1 4 2 2 1 1 1 1 4 18 52 19 4 5 2 1 3 2 1 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 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; 1HNMR: 72 71 ddd 1H J 6 46 78 \| 71 70 ddd 1H J 25 79 103 \| 68 67 ddt 1H J 9 23 121 \| 63 62 t 1H J 52 \| 38 37 d 2H J 121 \| 35 35 d 2H J 121 \| 34 34 s 1H \| 33 32 s 5H \| 32 31 q 2H J 49 \| 29 28 dddd 1H J 8 60 88 147 \| 28 27 dddd 1H J 8 60 88 147 \| 27 26 dt 1H J 61 124 \| 26 25 m 4H \| 23 23 s 3H \| 22 21 dp 1H J 67 84 \| 21 20 ddd 1H J 60 87 137 \| 20 19 dt 1H J 61 132 \| 19 18 m 3H \| 17 16 dt 1H J 60 132 \| 12 11 s 3H \| 10 9 ddd 7H J 16 68 221	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)N=C(c2ccccc2)c2ccsc2NC1=O	ir: 5 7 1 3 3 4 3 3 8 3 5 14 9 3 1 2 3 4 5 6 5 3 3 4 3 2 2 3 3 4 7 11 7 7 4 9 3 4 4 76 8 4 25 11 25 44 100 12 25 29 17 9 13 0 4 4 2 1 2 4 2 4 6 4 3 2 3 3 3 4 3 3 2 1 2 3 6 4 3 3 2 1 3 3 4 9 14 8 2 2 3 3 2 2 7 4 3 20 5 6 8 3 4 2 1 2 4 2 1 2 3 2 1 2 3 2 3 3 14 18 9 7 8 8 5 3 3 3 6 10 12 7 4 6 18 10 2 4 4 3 3 16 27 35 24 7 4 4 2 4 3 6 3 7 27 79 13 13 6 1 3 3 2 1 2 3 2 1 2 3 2 1 2 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 2 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 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 4 3 1 2 2 2 2 2 2 2 2 3 5 5 10 17 84 16 16 73 13 5 1 3 3 3 2 2 3 2 1 2 3 1 1 3 4 2 3 8 27 15 5 8 10 6 2 3 2 2 2 2 2 1 1 2 2 1 1 2 2 1 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 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; 1HNMR: 98 98 s 1H \| 76 75 m 2H \| 74 74 m 2H \| 73 73 m 1H \| 70 70 d 1H J 53 \| 67 67 d 1H J 53 \| 16 16 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN(CCO)C1CC(C)(C)N(CCO)C(C)(C)C1	ir: 1 1 3 1 2 2 3 3 6 6 4 9 5 7 3 8 4 2 3 2 6 5 1 3 4 4 2 1 1 1 1 1 1 0 0 1 1 1 1 0 1 1 0 0 0 1 1 2 0 0 1 1 3 3 1 0 2 2 1 0 1 1 1 0 1 2 1 1 0 1 1 1 1 1 1 1 1 2 1 1 2 3 2 3 5 4 1 6 19 24 12 10 1 0 2 1 0 1 2 1 0 0 1 1 0 1 1 1 1 2 2 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 2 2 1 1 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 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 0 1 0 1 1 0 0 1 1 1 2 3 3 1 0 1 1 1 0 2 15 100 28 12 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 37 36 m 4H \| 34 33 t 1H J 61 \| 31 30 dt 2H J 53 93 \| 29 28 t 2H J 48 \| 27 27 t 2H J 59 \| 26 25 t 2H J 65 \| 18 18 dd 2H J 52 114 \| 16 15 dd 2H J 52 114 \| 15 14 pd 2H J 8 65 \| 14 13 m 2H \| 13 12 s 5H \| 11 11 s 5H \| 9 9 t 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(-c2nc(-c3ccccn3)co2)c1	ir: 3 3 2 9 3 3 3 3 4 3 2 3 3 2 2 3 3 3 2 3 4 5 6 3 3 2 3 2 4 4 5 8 5 14 13 19 7 2 22 14 4 3 5 3 4 3 4 5 15 4 3 4 11 8 5 6 3 2 3 3 3 2 3 3 5 2 3 4 16 12 5 3 2 2 3 3 2 14 9 5 5 4 6 5 3 2 3 5 2 2 3 3 2 11 4 3 2 5 3 3 5 2 3 3 2 2 3 10 3 4 3 2 2 2 3 2 2 3 3 7 4 3 4 3 2 11 10 3 0 42 4 4 4 3 8 30 16 5 4 4 53 7 5 2 3 4 4 11 6 4 3 3 3 8 14 4 5 51 5 3 4 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 2 2 2 3 3 6 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 4 3 3 3 4 3 5 7 15 100 32 15 8 5 3 2 3 3 3 3 3 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 87 87 s 1H \| 86 86 dd 1H J 17 40 \| 82 82 t 1H J 22 \| 80 79 m 2H \| 78 77 ddd 1H J 17 71 84 \| 77 77 ddd 1H J 11 21 64 \| 76 76 dd 1H J 65 91 \| 73 73 ddd 1H J 13 40 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(-c2ccc3c(c2)C(=O)C2(CCc4ccccc4C2)C3)c1	ir: 11 8 0 9 16 6 8 8 10 9 5 7 10 7 2 8 15 5 1 6 9 3 2 8 9 4 3 10 7 3 8 10 9 7 28 16 24 13 16 18 8 8 28 13 8 2 12 13 14 7 5 14 19 9 15 10 6 17 29 19 5 0 6 9 5 2 7 13 14 7 8 9 4 21 10 11 3 3 8 11 4 3 11 12 5 9 14 25 19 6 17 14 13 8 7 6 5 8 16 9 5 9 11 10 2 5 9 6 1 5 9 6 3 10 10 9 6 8 26 14 9 13 12 9 4 7 11 6 5 12 23 5 8 11 9 4 19 11 37 27 73 30 11 4 8 13 28 19 8 12 17 19 10 21 15 3 5 9 11 4 5 9 6 2 5 8 5 1 5 8 5 1 5 8 5 1 5 8 5 1 5 8 13 4 6 7 4 2 6 7 4 2 6 7 3 3 6 7 3 3 7 7 3 3 7 6 3 3 7 6 2 4 7 6 2 4 7 5 2 4 8 5 2 4 8 5 1 5 8 5 1 5 8 5 2 5 8 4 2 5 8 4 2 6 7 4 2 6 7 3 3 6 7 3 3 6 6 3 3 7 6 3 3 7 6 3 4 8 6 2 5 9 7 3 5 14 7 7 6 11 7 5 8 17 26 17 54 100 91 49 9 11 8 6 5 7 5 3 6 8 4 3 5 6 4 3 6 6 4 3 6 6 3 3 6 6 3 3 6 6 3 4 6 5 3 4 6 5 3 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 5 7 4 2 5 7 4 2 5 7 4 3 5 6 4 3 5 6 4 3 6 6 3 3 6 6 3 3 6 6 3 4 6 5 3 4 6 5 3 4 6 5 3 4 7 5 3 4 7 5 2 4 7 5 2; 1HNMR: 81 81 d 1H J 22 \| 80 80 t 1H J 22 \| 79 78 ddd 1H J 12 21 68 \| 77 76 m 2H \| 76 75 t 1H J 66 \| 73 73 dt 1H J 9 75 \| 72 71 m 2H \| 71 70 m 1H \| 70 69 m 1H \| 31 30 dd 1H J 8 145 \| 30 29 dddd 1H J 9 49 77 152 \| 29 27 m 3H \| 26 26 dd 1H J 7 145 \| 22 21 ddd 1H J 49 75 137 \| 20 19 ddd 1H J 49 76 137	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N[C@@H]1CCCc2cccnc21	ir: 6 2 4 2 1 4 4 4 6 3 5 1 0 3 20 11 1 10 8 1 0 3 4 1 0 6 7 5 11 7 13 4 5 62 63 68 40 3 7 48 41 7 5 4 3 1 2 3 3 5 6 3 2 3 11 11 3 2 2 2 2 4 9 11 4 4 3 3 5 17 17 4 7 4 2 8 5 2 3 2 3 3 2 6 20 18 4 3 4 6 6 4 4 2 2 2 2 4 3 3 3 3 2 2 2 5 12 4 3 3 1 5 30 10 3 4 4 11 7 7 9 10 8 10 9 4 9 10 4 7 4 4 79 27 2 4 4 3 12 14 5 4 18 60 86 63 35 25 36 7 6 4 3 6 17 6 8 2 2 3 2 2 2 3 2 1 2 2 2 1 2 3 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 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 3 4 3 3 2 4 4 4 3 4 3 4 6 9 9 10 16 9 10 23 15 8 4 1 2 3 2 1 2 2 2 2 2 3 2 2 2 2 3 6 13 16 20 30 100 39 6 5 4 3 2 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 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 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: 85 85 dd 1H J 21 47 \| 76 75 ddt 1H J 9 18 81 \| 73 72 dd 1H J 48 81 \| 70 70 d 1H J 92 \| 49 48 ddd 1H J 31 55 89 \| 29 27 m 2H \| 23 22 m 1H \| 21 18 m 3H \| 20 19 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CSCCN1	ir: 2 1 0 1 4 5 1 1 2 1 0 1 2 1 0 2 2 1 0 1 1 1 1 1 2 1 1 2 2 1 7 9 3 1 1 2 1 0 1 3 11 2 2 8 33 69 71 74 90 15 6 7 5 1 2 2 1 6 1 3 1 4 22 27 42 11 5 5 2 1 3 4 5 6 9 2 1 3 10 8 2 1 2 2 1 1 6 7 7 6 3 2 1 6 5 2 1 1 2 3 2 18 12 4 6 8 17 34 20 89 53 16 7 34 24 18 48 39 56 28 9 16 14 5 18 23 14 6 5 10 22 42 58 12 8 4 5 2 3 2 2 2 1 2 2 1 1 2 2 1 1 2 2 4 3 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 2 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 2 1 1 1 2 1 1 1 2 2 4 6 5 5 3 7 7 7 11 10 6 12 6 6 40 50 31 6 0 2 3 2 2 3 3 2 2 3 4 2 2 4 4 5 3 10 32 97 100 60 17 9 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; 1HNMR: 32 31 m 1H \| 29 29 dddd 1H J 18 32 42 126 \| 28 26 m 5H \| 25 24 dd 1H J 33 132 \| 12 11 d 3H J 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cccc3c2OC(COS(=O)(=O)c2ccc(C)cc2)C3)cc1	ir: 27 7 7 10 7 6 5 27 20 30 14 22 32 6 5 7 7 7 0 5 13 3 2 6 27 4 2 6 6 1 4 100 6 4 4 11 17 3 3 6 7 4 52 5 11 7 66 25 10 0 16 23 64 45 98 39 8 4 5 5 5 4 7 9 39 25 8 19 53 32 13 7 4 3 5 11 8 6 5 6 19 53 9 13 28 34 8 7 23 30 22 20 5 76 86 11 5 5 7 9 6 4 7 5 4 5 5 4 2 7 8 4 2 4 6 7 4 5 14 11 11 7 9 12 25 66 16 6 4 6 6 3 2 7 7 49 4 5 7 71 12 6 6 4 5 9 16 37 78 11 8 6 10 8 5 3 6 8 4 2 13 10 4 2 3 5 3 1 4 5 3 2 3 5 3 2 3 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 4 2 2 4 5 2 2 5 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 5 3 2 3 5 3 1 3 5 3 1 3 5 3 2 3 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 3 3 6 5 3 5 7 5 3 5 8 7 8 10 13 18 14 61 92 77 45 23 10 15 6 5 7 5 4 5 5 3 2 4 4 3 2 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 77 76 m 2H \| 75 74 m 5H \| 74 73 m 2H \| 73 72 t 1H J 80 \| 72 71 dq 1H J 9 82 \| 51 51 tt 1H J 42 53 \| 45 44 dd 1H J 42 126 \| 42 42 dd 1H J 42 126 \| 34 33 ddd 1H J 7 51 146 \| 32 31 ddd 1H J 7 51 146 \| 24 24 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1O	ir: 1 4 4 2 1 2 1 1 1 1 2 2 2 2 2 3 1 1 1 1 1 1 6 4 7 3 2 1 1 3 6 3 5 4 5 2 1 2 1 1 3 12 100 8 3 1 14 3 3 1 1 2 3 1 4 3 3 1 1 1 4 1 1 1 0 1 2 1 3 2 1 6 1 1 1 2 1 1 3 16 22 5 1 1 2 1 1 1 10 2 1 20 6 2 2 1 2 3 4 2 2 1 1 1 2 6 3 2 1 25 15 4 1 1 1 5 1 1 2 2 2 2 1 1 1 1 1 1 2 1 2 1 1 1 1 3 5 2 2 3 9 4 1 2 6 21 5 4 11 1 1 37 11 3 1 5 1 1 1 0 1 13 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 1 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 1 1 0 1 1 1 1 0 1 0 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 8 16 9 10 4 18 14 3 2 4 19 5 2 1 1 1 1 1 1 1 1 1 0 1 2 7 7 32 9 3 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 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 0 0 1 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 dd 1H J 16 80 \| 74 74 m 2H \| 73 73 td 1H J 14 79 \| 70 69 m 4H \| 68 67 m 2H \| 65 65 s 1H \| 47 47 dt 1H J 68 88 \| 37 37 s 3H \| 32 31 ddt 1H J 9 68 142 \| 29 29 ddt 1H J 9 69 143	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc2c(SC)ccnc2[nH]1	ir: 4 3 7 3 1 2 2 1 1 2 4 3 4 8 12 15 19 51 43 91 24 4 7 15 9 5 2 2 2 1 1 4 4 4 3 5 4 7 52 23 45 15 4 5 13 12 6 11 8 9 6 8 3 1 1 3 2 1 3 4 3 4 5 8 4 1 2 2 1 1 3 8 22 24 28 11 4 5 10 3 1 1 2 2 1 1 2 2 1 1 2 5 34 30 8 4 0 7 15 5 2 7 12 12 10 3 3 3 2 2 9 5 15 19 100 29 24 16 15 6 11 5 12 20 31 22 7 4 5 28 45 21 1 3 4 1 0 3 3 3 5 4 7 5 5 14 16 3 63 18 54 16 3 3 11 96 43 41 57 22 39 2 2 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 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 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 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 1 2 2 2 1 2 3 2 1 3 3 4 2 7 17 18 34 18 21 17 17 16 11 13 5 5 4 2 2 3 5 2 1 3 3 4 2 5 2 3 2 8 13 28 38 44 17 30 25 13 14 6 2 2 2 1 2 3 2 1 1 2 2 1 3 2 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 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 0 1 2 1 0; 1HNMR: 98 98 s 1H \| 83 83 d 1H J 38 \| 79 79 s 1H \| 71 71 d 1H J 38 \| 40 40 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.
CCOP(=O)(OCC)N(CCCC#N)CCCC#N	ir: 10 6 4 5 3 2 1 1 1 1 2 1 2 8 11 4 4 1 1 1 1 2 2 2 1 2 4 1 1 1 1 1 1 1 4 2 1 1 1 1 12 9 3 1 2 1 2 6 4 1 2 4 4 5 4 1 1 3 6 5 1 3 2 9 3 6 4 5 6 2 2 1 2 7 9 3 22 29 5 5 11 1 2 2 3 12 100 27 3 2 3 3 0 3 7 3 2 3 2 1 2 4 4 7 9 3 3 2 3 2 8 4 2 5 5 3 1 2 3 5 2 3 1 2 1 1 2 1 1 3 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 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 1 0 1 1 1 44 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 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 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 2 2 2 1 2 2 1 3 7 18 3 1 2 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 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 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; 1HNMR: 42 41 dq 4H J 71 84 \| 30 30 t 4H J 56 \| 24 24 t 4H J 59 \| 20 19 p 4H J 57 \| 13 13 td 6H J 7 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C=Nc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F	ir: 2 4 2 5 5 3 2 4 4 4 5 5 5 4 2 6 5 3 6 6 21 16 9 8 12 11 5 3 3 4 4 3 3 3 2 2 2 2 3 4 5 2 11 16 6 4 6 5 8 19 69 5 6 5 13 6 4 4 4 1 2 3 2 1 2 3 4 11 15 13 3 3 1 2 1 2 3 3 4 3 2 1 2 1 2 6 6 2 3 13 10 13 7 5 2 3 3 3 15 7 3 1 1 1 1 2 4 3 2 1 1 2 4 4 8 4 3 5 5 3 5 8 4 7 12 3 3 3 5 12 7 3 5 5 2 1 7 4 2 1 3 51 13 6 6 13 3 1 2 28 20 4 3 12 7 5 2 0 1 4 4 100 5 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 5 82 4 1 3 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 2 2 1 2 2 2 2 6 4 9 14 82 31 11 3 1 3 2 2 3 2 2 2 2 1 1 1 1 1 1 2 1 4 9 17 47 11 17 9 3 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; 1HNMR: 95 94 s 1H \| 82 82 m 1H \| 78 77 dd 1H J 17 72 \| 77 76 m 2H \| 72 71 m 2H \| 70 69 m 1H \| 42 42 t 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(N)c(Nc2cc(NCc3cc(F)cc(F)c3)c(CC(N)=O)cn2)c1	ir: 4 3 2 5 19 5 4 4 4 4 4 4 15 8 7 5 5 7 12 9 6 10 14 10 7 4 4 5 5 4 4 10 4 3 15 10 7 7 5 5 4 3 3 3 3 2 4 4 6 3 3 3 4 4 4 6 5 3 4 3 5 3 3 4 4 5 24 6 6 3 5 3 3 3 3 4 4 6 4 3 2 2 3 3 3 3 3 5 3 3 3 4 4 4 4 3 5 4 3 4 3 3 6 3 3 6 4 3 2 3 3 3 2 3 3 3 2 3 3 4 5 5 5 4 3 4 5 3 3 3 3 2 3 3 3 3 18 8 4 3 3 3 4 3 12 6 3 4 3 3 7 3 23 100 16 3 7 20 35 5 4 4 6 0 58 1 3 4 3 2 3 3 2 2 3 3 3 3 2 3 2 2 3 2 2 2 2 2 2 3 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 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 2 3 2 2 3 3 3 2 3 3 2 2 2 3 3 2 3 2 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 4 4 7 11 16 7 14 5 12 3 3 3 3 3 3 3 3 3 3 3 3 8 6 17 6 6 8 12 17 39 18 8 5 3 53 30 4 3 4 4 3 3 3 2 2 3 2 2 2 2 3 3 3 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 88 87 s 1H \| 79 79 t 1H J 9 \| 76 75 d 1H J 22 \| 73 72 dd 1H J 21 83 \| 71 70 d 1H J 83 \| 70 69 m 3H \| 66 66 s 2H \| 64 63 t 1H J 56 \| 61 61 s 1H \| 46 45 dt 2H J 8 56 \| 44 44 s 2H \| 36 36 d 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(C[C@@H]2NC(c3ccccc3)Cn3cc(-c4ccccc4)nc32)cc1	ir: 1 2 1 2 1 2 3 3 4 1 2 4 10 1 18 7 3 3 2 2 1 1 2 1 1 1 1 1 3 6 10 34 12 15 3 2 5 6 9 17 27 35 5 7 10 5 3 9 6 5 6 5 5 20 11 2 4 2 2 1 1 1 1 3 8 8 12 4 11 12 3 2 1 2 1 4 6 1 7 5 4 2 1 1 1 0 1 1 0 5 3 1 1 1 1 2 3 5 5 4 2 1 3 2 17 6 4 4 8 6 4 3 4 7 4 2 1 6 5 3 9 8 6 7 2 6 8 7 2 4 4 9 18 15 6 51 3 8 23 16 5 12 16 26 4 5 3 1 1 1 1 2 5 3 16 0 1 1 1 1 0 1 2 0 1 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 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 1 2 1 0 1 2 1 1 1 3 2 2 2 6 7 12 12 91 33 24 10 2 4 4 4 3 2 1 1 1 1 1 2 2 2 2 9 100 17 3 2 1 1 1 1 1 1 1 1 1 1 1 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 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; 1HNMR: 78 78 m 2H \| 75 74 m 2H \| 74 74 m 1H \| 74 71 m 11H \| 48 47 dt 1H J 65 74 \| 46 45 m 1H \| 44 44 ddd 1H J 9 41 143 \| 42 42 ddd 1H J 8 40 143 \| 31 31 m 1H \| 31 30 m 1H \| 29 28 ddt 1H J 9 66 146	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(NC(C(=O)c2cn(S(C)(=O)=O)c3ccc(F)cc23)c2ccccc2)c1	ir: 6 4 9 16 11 9 7 7 8 10 22 9 5 6 5 7 5 5 7 6 4 5 4 4 8 2 2 3 7 5 5 4 4 4 7 7 14 9 7 5 32 10 3 8 3 4 7 26 3 4 11 8 8 29 23 7 2 6 2 5 2 2 4 5 3 7 24 14 25 8 13 11 4 4 2 2 3 4 3 3 4 5 4 6 3 3 5 6 92 16 5 3 3 4 7 5 1 2 3 8 6 13 4 8 14 11 4 2 2 15 8 4 3 3 3 2 2 3 8 7 7 9 7 9 8 6 11 8 6 3 3 3 2 2 2 9 3 2 4 9 4 28 27 15 4 15 18 2 2 3 2 5 15 18 11 13 10 7 4 1 2 4 94 6 4 4 2 0 1 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 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 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 7 9 2 2 1 2 2 2 2 3 3 4 4 12 17 9 14 15 100 38 35 20 15 8 2 3 3 2 2 2 3 1 1 2 3 2 2 4 3 3 4 25 40 20 21 11 9 3 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 86 86 s 1H \| 81 80 dd 1H J 47 78 \| 78 78 dd 1H J 26 121 \| 75 74 m 2H \| 74 73 m 3H \| 72 71 m 2H \| 66 66 ddd 1H J 12 22 82 \| 64 64 ddd 1H J 12 21 79 \| 63 63 d 1H J 81 \| 63 62 t 1H J 21 \| 60 59 dd 1H J 9 83 \| 38 38 s 2H \| 31 30 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccccc1)N1CCN(c2cccc(-c3ccc(F)cc3F)n2)CC1	ir: 2 2 2 2 2 2 4 7 5 5 2 3 2 2 1 2 2 2 1 2 2 3 2 3 4 1 1 2 2 2 2 5 2 1 5 5 3 6 8 5 8 14 37 9 8 8 5 13 23 8 4 0 1 2 11 7 3 3 3 3 2 2 2 2 3 3 4 16 6 5 1 1 2 2 2 4 2 2 3 4 2 2 4 3 2 2 2 3 3 3 4 4 14 5 2 2 3 3 3 3 3 4 4 8 13 3 3 3 2 3 2 6 2 3 2 2 1 2 2 2 2 3 3 3 2 2 1 2 2 3 7 3 2 3 8 12 3 2 5 14 25 10 6 4 3 7 13 25 10 15 12 7 28 15 6 4 12 6 12 5 8 9 24 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 2 2 1 2 2 2 2 2 2 2 2 3 6 9 4 16 100 12 6 4 4 3 3 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 3 5 10 10 6 3 2 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; 1HNMR: 83 82 s 1H \| 79 78 dt 1H J 50 85 \| 76 76 ddd 1H J 12 19 77 \| 75 74 t 1H J 74 \| 74 74 m 2H \| 73 72 m 2H \| 71 70 m 3H \| 67 66 dd 1H J 11 71 \| 37 36 m 4H \| 36 35 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1ccc(C(=O)OCCCCCCCCCCCCCCCCCC)cc1	ir: 10 8 11 6 7 4 2 2 3 5 10 39 52 59 0 8 7 5 2 4 3 1 0 2 4 7 2 4 4 2 2 2 2 1 1 2 3 1 12 13 9 4 3 7 2 2 2 2 3 1 1 5 2 1 5 19 100 12 6 2 2 0 2 2 4 5 4 4 4 8 63 10 11 13 6 3 2 2 3 1 1 2 1 7 4 4 4 8 1 1 1 1 1 2 2 2 3 12 5 3 1 12 4 11 5 6 10 17 23 8 23 12 5 15 18 13 24 19 22 14 11 40 7 9 6 28 15 4 4 2 2 1 1 2 3 4 4 10 6 3 4 5 23 56 66 10 4 4 13 22 16 32 23 6 2 1 1 2 1 0 1 2 2 1 8 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 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 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 1 3 2 6 16 16 8 13 6 11 12 25 7 15 24 65 32 64 92 22 16 5 7 25 11 3 4 4 2 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 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 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; 1HNMR: 79 79 m 2H \| 75 74 m 2H \| 68 67 dd 1H J 108 163 \| 56 55 dd 1H J 27 163 \| 55 54 dd 1H J 27 109 \| 44 43 t 2H J 61 \| 18 17 tt 2H J 61 76 \| 15 14 m 2H \| 13 12 m 28H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2cc1Cl	ir: 4 10 6 3 4 2 2 4 6 6 7 15 3 3 4 1 2 2 1 1 1 1 1 1 4 8 2 1 1 2 1 1 1 6 14 4 3 2 3 10 22 4 3 2 2 1 1 2 1 1 2 2 2 1 1 3 1 1 1 1 2 1 2 4 4 4 4 7 6 5 11 9 3 2 5 3 4 2 2 1 2 2 5 6 12 3 5 3 2 10 4 4 4 8 4 3 7 4 3 3 2 2 2 2 3 9 11 6 2 3 5 8 4 2 3 3 3 2 2 9 2 4 2 5 3 3 4 4 8 5 2 2 2 3 2 2 2 3 2 5 13 6 2 1 1 1 1 1 2 2 1 1 1 1 1 0 1 4 5 100 11 1 3 11 1 0 1 2 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 2 2 1 1 2 2 1 2 3 2 2 3 3 3 7 6 5 2 34 4 1 2 3 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 2 1 4 11 21 24 11 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; 1HNMR: 99 99 s 1H \| 75 74 s 1H \| 74 73 d 1H J 7 \| 45 44 p 1H J 59 \| 37 37 ddd 2H J 38 65 110 \| 35 35 ddd 2H J 38 65 110 \| 29 28 m 3H \| 27 26 ddd 2H J 53 81 119 \| 24 23 s 2H \| 22 21 m 2H \| 20 18 m 4H \| 17 16 dtd 2H J 38 63 127	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Ic1ccccc1OCc1ccccc1	ir: 2 1 0 1 2 1 0 1 2 2 0 1 2 1 0 1 1 1 0 1 2 1 1 1 2 0 0 1 2 3 5 17 3 2 3 3 8 2 17 55 18 7 27 3 3 2 2 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 2 2 2 5 3 6 5 5 2 2 1 1 7 2 1 3 8 8 2 1 2 3 7 6 1 2 11 5 2 1 1 1 2 1 1 2 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 2 2 2 1 1 2 2 2 1 1 2 1 1 1 7 8 16 4 8 15 2 3 11 12 2 2 4 14 13 5 2 3 2 2 2 0 1 2 2 1 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 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 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 2 1 1 1 2 1 1 2 6 3 1 11 100 32 10 3 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 76 dd 1H J 15 73 \| 74 74 dq 2H J 10 73 \| 74 73 m 2H \| 73 72 m 2H \| 69 69 m 2H \| 51 51 t 2H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CN1CCCc2cc3c(cc21)CCN(C(=O)OC(C)(C)C)CC3	ir: 8 18 8 3 7 4 8 4 6 10 11 47 4 14 13 19 3 4 3 2 2 9 7 2 2 1 1 0 0 1 1 2 2 4 2 8 11 5 3 4 0 1 1 1 3 1 1 0 1 1 1 1 2 0 1 0 1 1 1 4 9 5 4 3 5 1 16 18 25 21 13 3 1 1 0 2 6 2 0 0 1 2 3 8 15 9 4 4 3 1 2 2 4 13 4 11 6 3 2 4 3 9 5 3 4 7 2 3 3 3 11 8 8 7 16 6 9 14 15 47 30 9 39 31 12 11 3 4 11 27 16 11 10 5 6 5 3 7 5 4 1 1 0 7 1 0 1 1 1 38 5 100 11 3 6 20 10 2 3 1 0 0 0 3 4 15 5 2 1 1 1 0 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 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 1 0 1 1 2 4 3 3 2 3 5 3 5 4 3 4 5 11 35 50 9 4 47 16 9 4 0 1 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; 1HNMR: 66 65 p 1H J 9 \| 65 65 t 1H J 9 \| 37 36 t 4H J 66 \| 34 34 m 2H \| 33 32 d 2H J 51 \| 29 29 tdd 4H J 10 29 66 \| 29 28 m 2H \| 20 19 m 4H \| 15 14 s 7H \| 9 9 d 6H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)NC(=O)CCCCC2=O	ir: 6 2 3 3 4 6 7 3 10 9 10 5 3 2 4 8 11 18 9 15 11 6 4 7 7 4 7 4 3 6 11 12 12 25 29 11 3 36 24 6 9 6 6 19 7 3 9 6 4 5 4 3 9 6 21 14 5 3 3 3 3 1 2 4 8 17 18 40 9 11 2 2 2 3 1 2 1 1 2 2 1 1 2 1 1 1 1 2 3 2 2 2 4 7 9 10 2 8 3 2 2 1 2 9 12 19 12 4 5 8 6 13 9 7 12 13 13 7 17 7 6 19 9 8 7 4 5 7 8 6 40 26 2 5 20 15 4 10 6 4 9 17 7 15 10 3 4 3 11 20 32 14 8 13 13 100 62 6 7 6 3 5 7 39 5 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 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 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 2 1 2 3 3 2 8 6 4 1 3 3 2 2 4 5 31 13 35 49 26 21 4 0 2 2 1 2 1 1 1 1 1 1 2 1 1 2 2 2 2 10 23 32 29 15 5 5 4 5 2 1 1 1 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 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 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 79 d 1H J 86 \| 78 78 d 1H J 22 \| 69 68 dd 1H J 22 86 \| 38 38 s 3H \| 29 28 m 2H \| 24 23 m 2H \| 19 17 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NC3CCNC3)c2c1	ir: 14 12 5 4 9 6 2 12 2 10 20 15 5 3 17 5 10 10 4 5 6 2 2 2 3 4 4 5 2 2 2 2 4 4 5 3 2 5 2 7 7 14 11 5 2 2 4 3 6 3 2 2 3 0 13 19 5 5 9 7 4 8 5 9 19 29 19 11 8 4 7 2 3 3 3 6 5 4 1 1 5 7 5 6 5 13 17 12 10 5 10 4 3 2 5 4 2 1 2 5 7 3 1 4 6 9 4 19 17 8 11 12 8 15 19 9 2 4 5 6 7 10 6 6 13 10 7 4 2 3 2 5 7 6 9 10 8 1 5 5 12 3 1 2 15 35 12 4 16 9 3 8 16 2 3 1 1 2 3 2 1 2 13 100 13 4 6 4 1 2 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 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 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 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 3 3 4 1 2 2 1 2 1 10 19 5 17 43 35 13 2 2 1 1 1 1 1 1 1 1 1 2 5 4 4 8 10 38 16 4 12 19 28 12 17 9 10 3 1 2 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 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 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; 1HNMR: 80 79 m 1H \| 78 77 m 1H \| 77 77 m 2H \| 75 74 m 3H \| 63 62 m 2H \| 49 48 d 2H J 6 \| 40 39 ddt 1H J 19 37 66 \| 39 38 t 2H J 89 \| 35 34 t 2H J 89 \| 32 32 dtd 2H J 17 31 139 \| 31 30 m 1H \| 30 29 m 1H \| 24 24 s 2H \| 21 20 dtd 1H J 14 34 132 \| 18 18 ddd 1H J 29 38 66 \| 18 17 dtd 1H J 14 36 135	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1cncc(C#N)c1	ir: 4 7 3 4 4 5 13 5 11 9 5 6 3 4 5 2 3 9 3 4 4 3 5 4 4 3 5 6 2 3 3 3 3 4 7 4 66 3 8 2 12 15 19 9 4 4 6 7 6 6 3 3 3 4 7 6 23 0 5 3 3 1 3 3 5 2 3 5 10 13 3 3 2 2 5 3 3 3 4 10 6 3 15 12 25 31 16 7 6 5 5 9 9 14 2 14 19 11 5 3 2 3 3 7 4 4 9 6 3 3 4 4 12 4 3 4 3 4 4 4 24 7 3 6 13 9 6 4 2 3 5 3 2 3 3 3 4 7 100 7 1 3 3 2 1 5 48 6 6 10 17 9 5 6 9 16 3 3 3 14 3 4 5 33 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 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 3 2 2 2 2 2 2 2 2 2 2 3 3 6 4 8 16 21 7 3 3 3 3 3 22 28 4 2 2 2 2 2 3 2 2 3 2 3 6 10 13 6 2 3 2 2 2 2 2 2 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; 1HNMR: 100 99 s 1H \| 90 90 t 1H J 17 \| 90 89 t 1H J 17 \| 87 87 d 1H J 16 \| 85 85 d 1H J 16 \| 84 83 t 1H J 17 \| 76 76 m 2H \| 72 72 m 2H \| 42 41 t 1H J 60 \| 38 37 m 4H \| 37 36 q 2H J 78 \| 13 12 t 3H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)n1nc2ccccc2c1C=O	ir: 1 5 18 21 4 2 1 2 1 3 11 13 6 2 2 3 3 7 3 1 2 2 1 2 5 15 3 2 2 2 1 1 1 1 1 1 1 1 3 6 5 4 16 25 2 1 1 1 1 1 2 2 1 1 1 1 2 3 2 1 1 4 6 7 1 1 1 1 1 5 3 2 1 0 1 8 3 0 2 30 5 3 1 2 2 1 1 0 1 1 3 2 5 2 2 2 2 2 4 2 2 14 1 3 19 4 3 1 1 1 1 2 3 3 5 15 6 7 3 5 3 2 3 5 3 3 10 11 8 4 9 8 6 1 0 2 3 2 100 11 0 2 3 1 3 13 4 1 1 0 11 52 3 2 1 1 0 1 1 0 1 3 1 0 0 1 0 0 1 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 0 0 0 0 0 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 1 1 2 4 3 2 1 1 1 1 1 1 2 3 4 5 16 15 10 11 18 28 4 2 1 1 0 0 1 1 1 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 16 81 \| 77 77 dd 1H J 14 67 \| 75 75 td 1H J 11 67 \| 74 73 ddd 1H J 13 70 82 \| 16 15 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(Cl)c1ccccc1	ir: 3 5 6 10 8 6 6 9 21 24 51 39 10 7 12 11 28 15 11 13 16 9 8 6 16 17 14 11 12 9 16 22 11 6 10 6 17 8 8 4 5 10 14 5 5 3 5 6 7 6 13 6 3 3 3 12 25 2 10 8 5 0 2 3 2 1 2 5 15 48 16 18 21 2 10 15 4 5 6 2 2 5 7 94 4 15 51 41 21 12 100 53 8 7 13 14 12 7 8 36 28 15 6 6 6 8 15 8 2 4 4 7 2 2 2 1 1 1 1 1 2 2 3 9 8 23 11 12 8 16 7 5 4 13 20 25 6 4 4 4 3 4 6 11 10 3 2 2 2 16 16 5 6 4 2 1 1 2 1 1 1 4 7 2 1 1 1 0 1 2 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 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 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 3 4 13 4 5 5 2 7 9 76 23 42 11 7 3 0 2 3 1 0 2 2 1 1 2 3 1 1 5 47 13 6 5 14 14 5 3 2 1 1 1 2 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 94 94 s 1H \| 78 77 m 2H \| 77 77 m 2H \| 75 75 ddt 2H J 13 25 83 \| 74 74 m 2H \| 73 73 m 1H \| 72 72 d 1H J 44 \| 68 68 d 1H J 46 \| 58 58 d 1H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc(NC(=O)c2nc(-c3cc(Cl)ccc3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1	ir: 6 3 3 5 6 5 4 7 6 6 11 10 14 22 15 6 8 7 3 6 5 5 10 9 14 12 5 8 9 8 6 9 4 3 6 11 4 3 5 5 9 7 4 5 4 4 8 12 5 3 4 8 6 22 48 50 23 28 50 42 81 29 22 9 12 9 6 19 26 27 36 51 28 23 17 12 38 91 36 48 17 31 20 13 8 5 8 8 6 6 10 7 6 6 6 8 8 10 9 8 3 4 6 4 6 6 11 14 10 9 14 9 34 15 12 9 0 42 8 9 3 16 19 12 29 44 42 55 50 57 16 29 27 35 31 76 26 10 6 6 14 7 16 17 9 59 15 5 10 18 6 4 28 13 4 4 3 9 11 14 5 4 4 3 4 4 59 9 62 6 3 2 3 3 2 2 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 5 5 5 4 5 8 4 2 9 7 11 13 34 21 26 8 12 5 6 4 4 4 6 7 14 10 25 28 23 41 40 35 28 17 16 100 63 48 25 15 16 14 4 4 4 4 2 2 4 3 3 3 3 3 3 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 88 87 s 1H \| 76 76 dd 1H J 26 35 \| 75 75 s 1H \| 74 73 ddd 1H J 26 37 70 \| 73 72 dd 1H J 71 102 \| 65 64 s 2H \| 48 47 m 1H \| 44 43 dt 1H J 47 75 \| 43 42 dt 1H J 47 75 \| 39 38 ddd 1H J 51 132 172 \| 38 38 s 3H \| 37 36 ddd 1H J 44 132 174 \| 30 28 m 1H \| 28 27 dd 2H J 37 71 \| 23 22 dddd 1H J 64 95 106 130 \| 21 19 m 2H \| 18 17 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CBr)nc1-c1ccc(C(F)(F)F)cc1	ir: 1 3 3 2 1 2 4 3 2 2 5 2 3 6 9 3 5 4 8 11 10 3 3 1 1 2 2 1 1 3 5 2 5 4 5 1 2 10 4 13 5 7 5 3 1 2 1 0 1 3 2 1 3 14 40 8 86 11 3 2 2 3 2 3 2 4 4 1 1 3 3 0 2 3 2 3 2 2 1 1 2 2 1 1 2 5 11 4 4 3 4 7 7 3 2 1 3 2 1 11 58 3 9 4 4 3 0 2 4 2 3 4 73 3 1 1 2 1 0 4 4 3 1 4 5 16 2 6 15 3 1 2 2 1 2 4 9 49 27 3 3 1 1 4 38 0 1 2 19 6 2 9 8 4 1 2 2 2 13 3 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 1 2 1 0 2 2 1 1 2 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 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 1 2 2 0 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 1 3 2 2 0 1 5 3 1 6 10 16 100 12 3 3 3 2 2 2 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 2 1 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 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 0 1 2 1 0 1 2; 1HNMR: 79 79 m 2H \| 77 77 dq 2H J 14 114 \| 72 72 dt 1H J 8 77 \| 69 69 d 1H J 79 \| 48 48 d 2H J 7 \| 39 39 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC[C@@H](O)CCl	ir: 7 5 4 4 4 4 4 4 5 5 6 7 7 5 6 5 5 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 8 7 4 5 4 4 4 5 4 4 4 8 4 5 3 4 4 4 5 6 3 11 4 5 12 4 3 4 4 3 3 6 5 7 3 4 4 5 5 4 4 3 3 4 5 4 4 9 90 15 70 55 22 7 6 5 5 4 4 4 4 4 4 4 4 4 4 5 9 6 9 5 6 8 4 5 5 5 5 4 4 5 5 5 4 6 6 5 4 5 5 4 4 4 4 4 4 4 4 3 4 4 3 3 4 4 3 4 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 4 5 4 4 4 3 3 4 3 3 3 4 3 3 4 6 34 10 22 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 4 4 5 5 5 6 5 4 4 5 5 3 5 7 9 5 8 7 5 3 6 7 10 8 19 10 4 2 4 6 3 0 6 36 100 68 93 12 5 6 3 2 4 5 3 3 4 4 3 3 4 4 3 3 4 4 4 3 4 4 3 4 4 4 4 5 6 5 4 4 4 4 3 3 4 4 3 4 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 41 41 m 1H \| 37 37 dd 1H J 26 110 \| 37 37 d 1H J 46 \| 35 34 dd 1H J 26 110 \| 29 28 dd 1H J 39 113 \| 26 25 dd 1H J 39 113	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(c(OC)c1)C(c1cccc(C#N)c1)=NCC(=O)N2	ir: 4 5 6 6 3 14 3 3 7 4 6 8 13 8 2 6 9 7 1 10 24 9 8 6 9 4 3 8 13 7 35 87 26 20 58 60 57 60 3 7 6 3 1 4 4 3 9 6 63 10 25 6 5 7 6 8 4 1 3 10 7 1 3 7 3 7 56 35 10 18 19 24 6 1 3 8 1 2 3 6 3 1 4 3 1 1 3 5 2 1 3 3 2 1 4 6 6 2 3 3 1 3 20 4 4 6 9 6 3 13 6 4 2 4 13 13 6 8 8 22 4 7 19 3 3 11 33 9 3 3 3 3 2 14 24 3 22 6 4 2 13 15 5 1 1 5 53 12 47 7 4 11 21 12 4 3 8 19 53 15 6 11 15 100 14 2 2 1 2 2 2 1 1 2 2 1 2 3 1 1 2 2 14 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 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 1 2 3 2 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 2 2 3 2 1 2 5 3 1 2 3 3 2 4 7 10 10 13 72 50 3 4 4 2 3 3 4 2 2 2 3 2 1 2 3 2 1 4 3 2 4 20 34 60 22 4 4 6 2 3 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1; 1HNMR: 90 89 s 1H \| 80 79 t 1H J 22 \| 79 78 ddd 1H J 13 22 66 \| 77 77 ddd 1H J 12 22 64 \| 76 76 t 1H J 65 \| 69 69 d 1H J 22 \| 65 65 d 1H J 22 \| 44 43 s 2H \| 39 39 s 3H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=C(c1ccccc1)c1ccc(C=CC(=O)NS(=O)(=O)CCCCl)cc1)c1ccccc1	ir: 14 9 40 9 4 1 2 3 1 4 4 4 33 6 5 4 5 5 12 15 4 3 5 2 1 1 2 2 3 10 7 6 15 36 5 7 7 7 8 16 31 10 4 11 7 1 4 3 9 1 2 5 6 4 5 4 6 7 3 2 5 3 2 1 2 1 1 4 14 20 11 3 5 2 1 2 5 6 9 12 35 38 9 4 5 43 33 7 1 3 2 8 3 5 1 0 1 1 4 6 3 2 3 8 14 11 10 8 10 9 3 5 3 3 2 4 5 11 7 9 4 4 3 5 12 3 1 1 3 2 2 14 4 11 18 70 47 11 4 2 2 10 10 19 14 6 7 47 5 8 2 11 8 3 2 0 0 1 1 1 1 1 2 1 1 1 1 9 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 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 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 1 2 4 10 4 2 3 1 3 4 4 12 29 16 100 97 44 12 7 5 1 4 1 0 2 2 1 0 1 1 1 1 1 1 1 3 3 4 11 77 10 9 4 4 3 4 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; 1HNMR: 76 75 s 4H \| 75 74 m 2H \| 74 72 m 9H \| 68 67 d 1H J 106 \| 65 65 s 1H \| 37 37 t 2H J 44 \| 32 31 t 2H J 93 \| 24 23 q 2H J 73 \| 23 22 tt 2H J 44 91 \| 11 10 t 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1	ir: 1 1 3 14 5 2 3 2 4 1 1 1 1 2 2 3 1 1 7 10 2 2 3 9 3 3 6 3 2 3 9 10 3 5 5 14 15 5 10 8 5 16 8 5 3 47 100 39 11 9 9 6 3 7 4 3 7 2 1 1 1 2 2 2 5 20 3 1 2 2 7 2 5 4 7 5 5 4 14 2 3 9 3 2 1 1 1 1 1 2 6 2 4 2 21 28 2 3 3 1 2 1 1 2 4 2 2 2 3 6 2 3 6 11 6 6 3 7 1 1 2 1 1 2 19 1 2 2 3 18 13 2 2 2 2 2 8 7 23 13 56 7 4 2 3 3 5 28 18 20 15 12 5 2 5 60 4 2 1 1 5 3 2 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 0 1 1 1 0 1 2 1 0 1 2 2 1 1 4 2 0 2 9 18 23 50 14 7 3 2 2 2 2 1 1 1 1 2 2 2 72 15 1 2 3 6 6 10 50 19 43 5 5 2 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; 1HNMR: 87 86 d 1H J 16 \| 83 82 t 1H J 19 \| 77 77 ddd 1H J 12 21 82 \| 76 76 dd 1H J 13 88 \| 75 75 m 2H \| 75 74 dd 2H J 13 81 \| 34 33 s 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1nc2c(C)ccc(O)c2n1Cc1ccc(-c2ccccc2CN)cc1	ir: 1 1 1 1 2 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 2 1 1 1 1 3 2 1 1 1 3 3 2 2 4 2 2 3 8 2 1 1 1 5 2 3 4 6 1 1 1 1 1 1 1 1 1 1 2 6 14 11 6 2 4 2 3 1 9 8 1 2 1 1 0 1 1 4 6 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 3 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 3 1 2 2 1 3 17 10 7 4 3 1 3 5 2 2 2 1 7 1 2 1 2 2 1 1 1 1 1 1 1 9 1 1 0 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 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 1 1 1 1 0 1 1 1 0 0 1 0 0 0 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 2 1 1 1 1 1 1 4 3 3 2 37 3 1 1 2 1 0 3 100 2 2 1 2 2 6 6 2 2 1 1 2 2 11 19 3 1 1 1 1 0 0 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 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 0 1 1 0 0 1 0 0; 1HNMR: 87 87 s 1H \| 76 76 dt 1H J 8 75 \| 75 74 m 2H \| 74 73 m 3H \| 72 72 dq 1H J 10 86 \| 70 70 dq 2H J 9 73 \| 68 68 d 1H J 86 \| 54 54 t 2H J 8 \| 40 40 t 2H J 65 \| 27 26 m 5H \| 17 16 p 2H J 67 \| 15 14 m 4H \| 10 9 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc(Cl)cc(Oc2c(Cl)c(Cl)c[nH]c2=O)c1	ir: 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 3 1 1 1 1 0 1 1 0 1 1 1 0 0 2 2 0 1 2 5 2 1 1 1 1 1 2 16 10 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 3 4 2 1 1 2 2 1 1 1 1 0 1 1 0 0 2 1 0 0 1 1 0 0 1 1 1 1 1 1 1 5 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 2 2 2 3 1 1 1 1 0 1 1 1 0 1 1 3 1 2 2 2 1 1 1 0 1 1 1 3 3 1 1 1 4 1 2 4 1 100 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 3 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 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 2 4 4 4 3 3 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 13 2 3 4 3 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 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 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: 91 90 d 1H J 57 \| 76 76 d 1H J 57 \| 74 73 t 1H J 22 \| 73 73 t 1H J 21 \| 73 73 t 1H J 21	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(Oc2ccc(N)cc2C(N)=O)CC1	ir: 14 21 3 12 6 11 5 7 12 6 6 17 2 3 5 2 1 7 5 2 1 2 2 2 4 1 1 0 1 2 1 2 17 9 9 2 1 3 11 5 3 2 1 3 4 2 1 0 1 0 1 0 2 29 16 7 3 5 5 1 1 3 1 2 1 1 1 2 6 2 1 1 1 6 3 2 1 1 1 1 7 1 2 1 0 1 1 0 1 5 2 1 0 0 0 0 1 1 1 0 0 1 1 1 2 4 3 5 4 4 2 4 2 2 2 3 8 4 4 8 5 4 3 4 0 1 1 2 1 3 9 3 2 1 1 3 8 4 3 1 0 0 0 0 0 1 0 4 1 3 2 62 7 5 7 7 25 27 27 1 1 0 0 3 5 0 0 0 0 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 1 0 0 0 1 1 0 0 1 1 2 1 1 1 1 2 5 8 7 2 11 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14 17 1 1 0 0 0 0 1 0 1 3 100 12 1 2 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: 74 74 d 1H J 21 \| 72 72 s 2H \| 69 68 d 1H J 85 \| 68 68 dd 1H J 22 86 \| 45 44 p 1H J 45 \| 45 45 s 2H \| 37 36 ddd 2H J 59 86 124 \| 34 33 ddd 2H J 59 86 124 \| 23 22 dddd 2H J 44 59 86 130 \| 21 20 dddd 2H J 45 59 86 131 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(-c2ccc(Cl)cc2F)c(Cl)c1OC(F)F	ir: 1 2 4 3 8 3 2 5 16 6 5 3 2 4 4 12 4 2 2 2 2 2 4 8 5 4 6 15 6 2 1 1 1 1 2 2 2 1 2 3 2 2 1 2 2 1 4 11 3 1 1 2 3 0 29 25 8 4 10 13 5 6 4 3 7 7 9 12 6 4 4 3 6 13 12 33 81 22 7 4 5 8 4 2 2 2 7 7 3 3 5 3 1 2 2 1 1 1 2 2 2 1 2 2 1 1 4 8 9 1 2 2 2 3 4 4 5 3 4 4 4 2 2 2 6 6 3 3 2 6 37 28 7 8 3 2 2 1 1 2 9 13 6 5 2 3 3 10 18 5 5 4 12 5 3 2 2 2 1 2 2 7 4 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 1 1 1 1 2 2 2 2 2 3 3 3 3 3 3 4 3 2 3 3 3 12 35 100 59 8 4 2 3 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 1 1 1 1; 1HNMR: 77 76 dd 1H J 51 85 \| 73 72 m 2H \| 67 67 s 0H \| 37 37 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC[C@H](Nc2nc(NC34CC(C3)C4)ncc2C(N)=O)C[C@@H]1O	ir: 1 1 1 1 1 2 1 2 2 3 3 4 2 2 4 6 7 4 8 16 30 13 11 4 3 4 2 1 2 2 2 2 1 2 2 1 2 2 2 3 3 15 17 31 19 10 20 2 3 3 2 2 1 1 1 1 2 3 1 2 3 1 2 2 1 1 2 2 2 2 1 1 1 1 2 3 3 2 2 1 1 3 5 5 2 7 9 10 7 7 3 1 7 2 1 3 2 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 2 3 3 1 2 7 2 2 3 2 1 2 3 3 1 1 1 3 7 1 1 1 2 2 1 2 2 12 43 8 6 3 1 5 6 7 16 22 2 2 2 14 100 22 9 10 57 18 35 11 2 3 3 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 0 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 2 1 2 2 1 1 5 1 2 2 3 3 5 1 2 3 2 1 1 1 2 4 9 19 3 4 2 2 1 1 2 1 6 4 2 3 4 5 11 16 12 33 27 5 5 46 45 7 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 0 0 1 1 1 1 0 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 0 0 0 0 0 0 1 0 0 1 1 0 0; 1HNMR: 87 87 s 1H \| 84 84 d 1H J 81 \| 81 81 s 2H \| 68 67 s 1H \| 37 36 m 1H \| 35 34 ddddq 1H J 14 26 40 68 81 \| 33 33 d 1H J 66 \| 22 21 dt 1H J 52 141 \| 21 20 d 6H J 39 \| 20 18 m 3H \| 17 14 m 3H \| 10 10 d 3H J 14 \| 10 9 d 3H J 16	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(O)c2cccc(N(C)C)c2n1	ir: 2 3 3 3 10 26 12 3 3 3 3 2 4 4 4 5 9 3 2 2 4 2 2 2 2 3 5 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 6 67 6 4 5 3 2 4 3 3 5 3 2 2 2 2 2 2 4 4 8 5 9 34 9 3 2 3 4 6 6 10 3 3 3 4 35 26 53 52 10 4 4 12 100 11 5 3 2 10 19 7 4 3 2 3 4 5 6 2 4 2 0 11 2 2 3 2 3 2 2 3 3 3 4 5 3 2 2 2 4 27 4 8 15 16 6 7 3 3 5 11 3 3 2 2 2 8 19 4 4 8 12 2 2 3 2 1 4 1 5 5 6 10 7 2 4 4 5 3 6 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 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 3 2 2 2 2 2 2 4 4 4 6 3 18 41 29 13 10 3 3 3 8 72 24 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 80 80 m 1H \| 74 73 dd 1H J 82 90 \| 71 71 dd 1H J 12 83 \| 69 69 s 1H \| 40 40 s 3H \| 30 30 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1C(=O)CC(=O)C2CCCCC12	ir: 1 2 5 5 3 5 4 3 3 3 14 6 9 6 4 5 9 8 5 9 11 5 4 4 5 5 3 4 4 3 2 1 1 2 3 3 3 3 4 5 4 18 4 3 3 3 4 2 2 2 3 1 3 2 10 17 55 13 10 3 7 4 4 1 2 3 2 6 2 5 3 2 4 10 3 1 2 2 4 3 3 2 2 2 2 3 1 3 6 5 2 2 4 4 4 3 3 2 1 2 5 7 28 15 15 16 10 15 5 9 9 15 15 21 22 13 31 32 21 24 24 28 37 50 23 8 8 5 9 3 5 26 12 7 3 4 4 1 3 3 9 46 24 8 19 67 100 14 9 4 2 3 2 1 2 3 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 3 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 2 1 1 2 2 1 1 2 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 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 2 3 3 2 2 3 5 1 4 7 9 15 10 15 11 20 19 9 19 39 23 15 5 4 4 2 2 1 2 2 1 1 2 2 1 1 1 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 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; 1HNMR: 35 34 d 1H J 168 \| 34 33 d 1H J 167 \| 27 26 dq 1H J 64 79 \| 26 25 dt 1H J 50 86 \| 21 20 m 1H \| 19 18 dddd 1H J 49 64 88 130 \| 17 15 m 4H \| 15 14 m 3H \| 10 10 dd 3H J 15 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ir: 16 14 36 8 39 12 17 21 8 30 16 13 17 8 3 26 14 8 3 8 7 5 2 5 4 5 22 48 47 34 57 12 17 9 18 8 5 18 46 17 13 25 100 22 7 9 6 1 2 2 6 4 1 5 4 1 3 5 3 3 2 4 4 2 3 2 2 2 6 4 1 1 12 9 10 10 5 3 2 2 9 6 5 3 4 16 2 2 2 6 23 4 3 4 3 3 4 6 9 4 6 6 4 5 4 3 6 4 11 20 14 14 19 16 20 15 6 19 9 9 33 9 14 13 11 4 14 6 8 8 19 20 3 4 5 15 41 73 8 5 64 11 16 33 34 44 13 14 41 82 100 39 4 8 3 3 2 1 1 2 6 1 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 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 5 3 4 5 4 7 5 4 10 3 3 5 11 9 27 24 19 32 41 83 15 4 1 1 3 2 3 2 2 1 1 2 3 1 0 1 2 0 1 3 7 10 12 86 35 11 4 1 1 1 1 1 1 1 1 0 1 1 1 0 0 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 78 77 m 2H \| 77 76 ddd 2H J 7 15 77 \| 76 75 td 2H J 13 78 \| 74 74 td 2H J 14 78 \| 50 49 d 1H J 76 \| 45 44 d 2H J 49 \| 43 42 td 1H J 10 53 \| 38 37 m 2H \| 36 35 m 2H \| 34 34 m 1H \| 19 18 m 2H \| 18 16 m 1H \| 16 15 m 1H \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1COc2ccc(C3=CNC(=O)SC3c3ccccc3)cc2N1	ir: 17 15 19 16 16 15 16 15 15 16 15 16 19 22 21 15 15 17 18 16 16 16 20 14 18 17 16 20 29 27 62 56 32 56 100 45 27 18 18 43 25 24 22 19 15 15 15 15 16 16 18 23 20 27 40 15 15 16 15 17 19 15 14 14 15 18 18 20 44 18 21 16 16 15 14 14 15 15 17 15 15 17 21 14 15 15 15 17 21 18 15 15 16 15 17 14 16 15 15 17 19 19 17 15 16 27 21 16 15 15 18 24 20 16 23 18 16 18 19 21 16 17 16 16 17 17 28 19 19 19 15 17 25 20 16 21 16 14 14 15 15 14 17 21 35 17 15 19 19 0 60 28 33 24 20 47 20 17 21 21 15 15 15 16 32 19 15 13 14 15 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 15 14 14 14 15 14 16 18 15 15 15 16 17 17 16 31 19 20 98 41 22 17 19 16 14 15 15 15 16 15 16 15 14 15 16 15 15 15 16 19 24 47 48 60 24 25 20 16 16 15 16 16 16 15 15 15 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14; 1HNMR: 98 98 s 1H \| 77 77 d 1H J 22 \| 76 76 dd 1H J 17 54 \| 74 73 m 6H \| 72 71 dd 1H J 22 84 \| 70 69 d 1H J 85 \| 56 56 m 1H \| 46 46 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(N)n3)c3c2CCC3)c(F)c1	ir: 3 4 3 4 3 1 2 1 2 7 3 5 10 3 2 2 2 3 2 2 2 2 2 2 1 2 3 8 5 2 6 5 2 4 1 2 1 1 2 2 2 3 1 2 1 1 1 0 0 1 2 2 3 6 5 27 18 5 5 2 2 1 1 1 4 2 11 5 3 2 1 1 1 1 3 3 2 0 1 0 0 0 0 0 0 1 1 2 2 0 0 0 0 0 1 1 5 6 0 4 3 2 1 1 0 1 2 3 1 1 2 2 1 1 2 1 1 6 4 3 3 2 0 3 2 4 3 5 11 3 1 1 1 2 1 1 1 1 0 1 1 2 2 1 1 1 8 4 2 2 4 3 16 26 13 10 2 3 9 6 5 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 0 0 0 0 0 0 0 0 1 1 0 0 0 1 2 1 1 1 1 1 2 3 3 1 2 6 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 9 12 1 0 0 0 0 0 0 0 0 1 14 100 6 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: 83 82 s 1H \| 65 64 m 2H \| 56 56 s 2H \| 55 54 t 2H J 51 \| 41 41 q 2H J 68 \| 40 39 s 2H \| 28 27 m 4H \| 23 22 p 2H J 60 \| 15 14 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)C(Cl)=Nc1cccc2ccccc12	ir: 9 4 11 5 4 1 0 3 5 11 9 13 3 18 1 2 3 16 5 5 10 3 2 2 3 1 1 3 2 1 1 4 7 8 2 4 2 1 2 3 2 1 4 5 5 37 47 8 4 4 12 9 2 2 2 2 2 1 2 2 2 2 2 2 3 7 39 7 20 5 2 3 3 1 3 5 3 1 2 3 5 21 18 4 2 1 3 2 1 1 3 3 3 8 6 4 4 85 18 28 1 1 3 4 19 22 5 3 10 2 3 2 2 9 3 3 2 2 3 1 1 2 3 1 1 2 3 2 1 14 21 11 1 3 4 3 10 21 14 4 42 14 2 2 2 3 4 6 9 3 8 24 9 2 2 1 1 7 2 15 2 3 2 1 2 3 4 1 2 3 2 0 2 3 2 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 2 2 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 2 3 2 1 2 5 4 10 39 100 99 14 5 4 3 2 3 3 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 1 2 2 1 1 2 2 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1; 1HNMR: 80 80 dd 1H J 14 69 \| 76 75 m 3H \| 75 74 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCON(C(=O)C=C)[C@@H](C(=O)OC(c1ccccc1)c1ccccc1)c1ccccc1	ir: 14 5 8 7 5 2 3 1 1 1 2 1 2 2 5 2 1 1 2 1 1 3 2 4 5 3 2 3 4 3 17 10 26 10 15 4 2 1 2 5 25 26 8 10 1 0 1 5 16 6 1 1 3 3 1 1 1 4 2 1 1 2 1 5 3 4 2 17 12 19 7 4 27 8 4 9 3 1 2 5 1 1 1 1 1 1 1 1 10 8 10 12 4 2 3 3 2 2 5 6 6 3 4 1 2 1 0 0 1 0 0 0 1 3 1 2 3 4 5 5 8 2 2 2 5 3 2 1 2 2 1 1 3 4 5 51 21 11 5 2 4 2 25 22 17 30 34 4 4 9 2 2 6 3 1 0 1 1 1 3 2 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 1 0 0 0 1 1 0 1 2 2 1 15 8 6 5 6 27 30 100 26 25 5 9 5 7 3 3 2 2 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; 1HNMR: 75 73 m 16H \| 67 66 s 1H \| 65 64 m 1H \| 60 59 dd 1H J 24 167 \| 59 58 dd 1H J 22 112 \| 58 57 ddt 1H J 55 114 171 \| 55 54 s 1H \| 53 52 ddt 1H J 13 25 170 \| 52 51 m 1H \| 44 43 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C1CCCN1)N1CCN(c2cc(NCc3ccc(Cl)cc3Cl)n3nccc3n2)CC1	ir: 6 8 12 6 4 5 4 4 2 2 2 11 28 2 8 3 5 5 2 4 2 6 2 2 2 2 1 1 1 7 7 7 5 6 5 3 3 2 2 4 3 7 2 1 2 2 4 2 2 2 3 10 7 17 16 3 3 5 5 2 5 5 3 4 4 5 6 22 3 8 5 2 9 7 6 4 5 2 2 1 2 2 1 5 3 2 4 3 2 2 1 2 11 4 2 2 2 2 1 3 4 5 3 4 8 4 4 10 13 24 20 25 18 7 4 11 6 3 14 7 8 10 9 7 3 1 1 3 4 2 2 2 1 3 2 1 10 4 3 4 5 10 2 2 5 13 13 22 7 2 2 3 9 13 1 0 0 0 1 2 1 1 2 27 100 0 3 1 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 0 0 0 0 0 0 0 0 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 1 1 0 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 4 3 5 14 11 20 7 3 1 2 1 1 1 1 1 1 1 1 4 3 3 9 35 34 6 10 16 12 28 10 5 7 2 1 2 1 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; 1HNMR: 80 80 d 1H J 38 \| 74 73 m 2H \| 72 72 dd 1H J 21 81 \| 69 68 t 1H J 58 \| 68 67 d 1H J 38 \| 58 57 s 1H \| 48 47 dd 2H J 8 58 \| 38 37 m 2H \| 37 36 t 4H J 46 \| 36 35 m 4H \| 31 30 m 1H \| 29 29 m 1H \| 21 20 dddd 1H J 36 56 76 133 \| 19 18 m 1H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S1(=O)N[C@H]2c3ccccc3C[C@H]2O1	ir: 3 3 3 3 4 8 1 4 13 3 1 2 4 4 1 2 4 2 1 4 3 2 0 2 2 0 0 2 2 1 1 2 2 0 2 9 6 3 1 3 4 15 3 31 2 2 1 3 3 0 1 3 1 0 4 7 2 3 14 3 3 14 4 19 27 44 52 10 16 5 4 24 9 0 7 3 31 2 2 3 1 1 4 3 2 8 9 15 48 15 6 3 1 3 3 4 6 21 11 5 0 29 36 15 4 6 5 38 19 5 5 2 1 1 3 1 0 4 4 2 2 2 5 1 0 2 2 1 0 2 2 1 1 1 2 1 1 11 3 1 5 2 2 0 0 2 2 0 1 17 1 1 1 2 1 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 1 2 1 0 1 2 1 0 1 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 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 0 1 1 1 1 1 2 0 1 2 1 1 1 2 1 0 1 3 2 0 1 3 2 2 2 2 7 2 5 35 16 1 3 3 2 0 1 2 1 1 1 2 1 0 2 2 1 2 3 5 32 100 4 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 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 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 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 76 75 m 1H \| 73 73 m 1H \| 72 72 m 3H \| 54 53 m 2H \| 33 32 m 1H \| 31 30 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cnc2[nH]nc(OCCF)c2c1	ir: 48 34 30 14 7 8 18 91 100 15 35 8 31 22 6 6 6 5 3 5 5 32 6 4 4 3 2 3 3 4 3 4 4 7 5 8 5 18 15 54 35 47 7 8 6 2 3 5 3 2 3 5 4 3 3 5 3 3 3 4 4 2 4 6 4 4 15 27 5 3 4 3 3 2 3 3 3 2 3 16 22 19 27 4 2 3 3 3 2 2 5 6 15 19 5 6 4 3 4 19 6 3 4 3 3 6 20 18 6 5 7 4 2 3 4 3 1 3 4 2 2 11 5 4 2 3 5 7 9 3 4 5 3 3 3 2 2 3 7 27 0 4 4 1 1 18 6 2 3 4 4 0 4 34 20 59 8 96 46 5 3 3 3 19 14 3 3 3 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 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 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 3 3 4 5 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 3 18 20 4 3 2 4 4 10 19 21 9 1 48 15 3 4 4 3 3 3 3 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 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; 1HNMR: 84 83 d 1H J 16 \| 79 78 d 1H J 16 \| 49 48 t 1H J 39 \| 48 47 t 1H J 39 \| 47 47 s 2H \| 46 45 dt 2H J 38 235	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1CC(N2CCC(NC(=O)c3[nH]c(C)c(Cl)c3Cl)CC2)CN1	ir: 3 3 11 2 1 2 4 2 2 4 11 6 2 7 3 2 2 3 7 4 2 5 4 7 21 3 7 4 3 2 2 2 2 3 2 2 2 3 3 2 5 12 100 20 7 5 7 4 8 8 5 6 4 3 4 8 5 8 8 10 4 5 5 5 6 30 27 19 7 8 6 8 6 7 10 6 4 6 2 1 5 3 3 15 10 13 3 1 2 2 3 3 3 2 1 3 6 4 4 5 7 7 22 20 26 14 24 4 16 17 28 5 13 7 7 2 5 4 5 5 4 4 3 6 4 3 4 8 8 6 3 2 3 2 2 3 2 2 1 3 5 8 18 11 100 5 5 8 6 3 15 14 4 1 1 3 3 3 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 0 1 2 1 0 2 2 1 1 2 2 1 1 2 1 0 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 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 4 4 4 4 3 3 3 7 4 4 4 28 4 3 1 3 2 2 1 2 2 1 1 1 2 1 1 3 3 2 3 6 14 64 15 6 10 7 54 28 12 6 26 19 7 2 1 2 2 1 1 2 1 1 1 2 2 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 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 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 95 95 s 1H \| 67 66 d 1H J 77 \| 39 38 m 2H \| 37 37 s 2H \| 31 30 m 2H \| 29 29 dt 1H J 35 62 \| 29 28 m 3H \| 27 26 ddd 2H J 59 86 126 \| 24 24 s 2H \| 21 21 ddd 1H J 33 61 128 \| 20 19 dddd 2H J 47 59 88 134 \| 19 18 m 1H \| 18 17 dddd 2H J 47 59 88 132	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2cc(-c3ccccc3N)ccc2c1	ir: 3 5 20 24 3 4 4 2 2 3 2 7 6 4 1 2 2 1 1 2 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 2 1 1 3 7 2 2 2 1 1 2 1 1 1 2 5 4 2 1 1 1 1 1 1 1 1 3 5 9 10 7 2 1 2 6 2 3 6 1 1 1 1 1 0 1 0 1 16 0 1 1 2 1 1 1 1 2 3 2 2 0 1 2 1 5 6 1 1 1 1 0 0 2 1 1 0 0 1 1 1 1 1 1 3 5 1 1 1 0 0 0 0 0 0 0 0 1 2 4 1 0 1 0 0 3 1 3 1 1 9 1 0 1 3 14 37 9 6 15 12 1 4 16 3 1 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 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 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 3 4 6 46 21 3 2 0 1 1 0 0 0 0 0 0 0 0 0 0 1 35 19 1 1 1 1 1 1 1 2 1 4 23 100 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 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; 1HNMR: 78 78 dd 1H J 22 92 \| 78 78 dd 1H J 24 91 \| 76 76 m 2H \| 75 74 dd 1H J 21 90 \| 74 73 t 1H J 22 \| 73 72 td 1H J 15 75 \| 71 71 dd 1H J 24 88 \| 70 69 td 1H J 13 76 \| 68 67 dd 1H J 14 77 \| 45 45 s 2H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCc2ccc(OCCCCN3CCn4cncc4C3)cc2N1	ir: 3 3 4 10 6 9 8 37 11 3 5 6 2 3 3 3 5 12 4 4 4 5 3 4 5 3 2 3 5 11 29 22 13 7 16 23 5 3 3 3 4 3 13 6 15 3 4 2 2 3 4 4 11 28 40 4 4 4 2 2 6 4 3 2 2 6 6 19 11 8 6 2 3 3 2 2 3 4 4 3 6 10 11 5 2 7 27 5 4 5 4 6 15 15 4 8 8 6 3 5 6 7 2 3 4 5 3 3 9 5 5 20 6 7 4 12 14 5 3 12 6 5 5 6 4 4 5 3 4 2 3 3 12 7 7 3 2 2 2 2 2 2 2 2 6 3 2 3 4 7 44 18 34 8 9 16 25 11 3 4 2 3 5 100 5 0 2 3 2 1 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 1 2 2 1 2 2 2 1 2 2 2 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 5 4 5 3 3 3 3 3 3 5 12 29 7 10 31 7 6 5 3 3 2 2 2 2 2 2 2 2 2 2 3 2 3 3 3 11 14 9 39 57 16 12 7 4 3 2 2 2 2 2 2 2 2 2 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 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2; 1HNMR: 91 90 s 1H \| 75 74 dt 1H J 9 17 \| 72 72 dt 1H J 9 17 \| 71 70 dt 1H J 9 90 \| 66 65 dd 1H J 21 89 \| 65 64 d 1H J 22 \| 40 39 m 4H \| 37 37 d 2H J 10 \| 29 29 m 2H \| 28 28 m 2H \| 26 26 t 2H J 59 \| 25 24 m 2H \| 18 17 m 2H \| 17 16 ttd 2H J 9 59 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C[C@@H](CN)NC(=O)OC(C)(C)C)cc1	ir: 3 2 1 3 1 3 2 2 4 5 3 2 2 1 1 1 3 1 1 2 4 1 1 1 2 2 3 3 9 19 10 12 4 5 2 1 3 2 4 1 1 1 1 3 6 22 5 3 2 1 2 2 1 3 8 10 16 50 2 0 2 7 2 1 1 1 1 1 1 7 2 4 9 6 71 12 3 3 6 2 2 1 4 11 2 2 1 5 1 1 0 1 1 2 5 15 4 2 1 2 1 1 1 1 1 1 1 2 1 2 3 3 2 7 1 1 3 2 4 5 2 3 9 5 3 5 12 4 11 17 9 7 5 14 53 11 2 2 2 1 1 3 3 2 36 37 5 12 15 6 7 3 5 0 0 1 2 1 1 2 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 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 1 1 0 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 1 1 1 1 1 2 2 1 1 1 1 2 1 2 1 2 2 2 2 5 8 5 76 16 9 4 3 3 2 1 1 2 1 1 2 7 10 25 41 9 6 6 3 5 3 97 13 100 13 9 1 2 2 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 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 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 72 71 m 5H \| 49 48 d 1H J 77 \| 39 39 dtt 1H J 40 62 79 \| 31 29 m 2H \| 28 27 m 2H \| 24 23 m 5H \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)n1cc(C#N)c(-c2ccccc2)c1	ir: 3 2 3 1 0 1 1 1 1 5 4 3 1 1 1 1 6 6 2 3 1 4 2 1 3 1 1 1 3 2 5 5 2 4 24 13 2 2 2 0 21 16 2 2 10 9 1 1 1 1 1 1 3 3 1 1 1 3 1 1 2 2 5 6 14 8 3 3 16 14 3 2 1 1 3 3 4 16 17 6 3 2 2 2 5 8 1 1 1 1 2 1 1 1 1 1 1 1 1 3 2 1 5 11 2 2 0 1 1 2 2 3 3 3 2 4 4 5 12 3 3 2 3 3 8 2 3 3 0 3 17 27 9 3 5 35 1 1 0 1 2 2 11 32 21 12 4 1 1 1 1 6 3 1 5 22 3 2 2 1 2 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 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 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 1 1 1 1 5 6 2 2 1 1 2 2 2 2 3 3 2 12 49 100 48 16 90 19 12 3 2 3 2 2 1 2 2 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 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 1 0 0 0 0 0 0 0 1; 1HNMR: 77 77 d 1H J 18 \| 76 76 m 2H \| 75 74 m 2H \| 74 73 m 1H \| 73 73 d 1H J 16 \| 20 20 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)c1ccc(CCn2c(CN3CCc4ccccc43)c(Cl)cc(Cl)c2=O)cc1	ir: 3 6 4 5 5 7 5 3 4 9 3 4 5 7 3 7 31 11 5 3 1 2 3 1 0 10 5 2 3 3 3 1 1 2 2 1 3 2 3 0 1 11 61 21 2 11 5 22 8 8 3 0 2 4 10 10 13 3 3 2 2 5 5 7 2 3 3 13 2 2 10 8 2 6 14 1 13 5 2 1 2 2 1 1 1 2 3 11 27 6 1 11 4 2 2 3 2 3 2 18 7 4 6 3 3 3 1 4 9 1 1 5 7 4 3 4 11 44 20 8 3 5 2 6 8 19 4 5 6 5 8 17 24 6 1 3 4 8 10 4 12 5 33 28 5 55 5 4 2 9 18 8 5 2 4 2 2 1 1 12 6 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 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 1 1 1 0 1 1 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 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 1 3 1 1 2 2 4 9 7 4 2 2 2 3 5 7 37 30 36 100 51 12 4 1 2 3 4 1 1 3 1 1 1 2 1 0 1 2 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 2 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 79 m 2H \| 72 72 dt 2H J 9 84 \| 71 71 t 1H J 10 \| 71 70 ddt 1H J 9 17 80 \| 70 70 td 1H J 17 76 \| 67 66 td 1H J 14 80 \| 65 65 dd 1H J 14 74 \| 46 46 d 2H J 9 \| 41 40 t 2H J 63 \| 36 35 m 2H \| 30 29 m 4H \| 16 16 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1	ir: 13 5 9 13 5 5 7 8 3 2 0 1 1 1 1 2 1 0 0 2 1 1 2 1 1 1 0 1 1 0 0 1 1 1 1 11 9 1 1 1 1 2 2 8 3 1 1 2 1 1 1 3 8 4 4 7 1 4 4 9 4 1 1 1 2 1 5 9 9 53 10 8 3 6 2 2 1 2 2 4 33 31 28 15 8 22 11 17 21 100 12 4 4 3 6 13 3 1 3 3 2 7 6 13 18 16 11 3 2 3 4 3 1 3 2 3 3 3 7 5 2 8 3 2 1 1 1 1 1 1 2 1 2 4 6 3 2 2 1 1 1 1 3 1 0 1 1 0 1 10 7 2 1 3 2 1 1 1 1 1 1 3 3 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 0 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 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 1 1 1 1 1 1 1 1 0 1 2 2 1 1 5 2 1 3 2 1 3 2 3 30 12 11 15 34 10 0 1 2 1 1 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 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 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; 1HNMR: 70 70 dt 1H J 9 88 \| 67 67 dd 1H J 22 88 \| 66 65 dt 1H J 9 20 \| 41 40 t 2H J 66 \| 35 34 dt 4H J 72 205 \| 30 29 s 2H \| 29 28 tdd 4H J 9 37 70 \| 26 25 t 2H J 65 \| 25 25 m 4H \| 19 18 p 2H J 65 \| 16 16 m 4H \| 15 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(CNC1=Nc2ccccc2CCC1NC(=O)OCc1ccccc1)OC	ir: 10 11 9 10 6 6 5 5 5 5 3 8 4 5 4 4 4 6 8 5 10 13 21 9 10 10 16 23 25 40 20 25 23 12 12 10 7 11 13 18 25 17 35 16 6 1 3 6 3 4 6 2 3 15 13 5 6 4 4 3 4 2 2 3 4 4 13 14 9 11 9 6 4 2 4 3 6 6 7 4 2 2 5 6 2 1 2 2 9 9 3 3 2 1 3 4 3 6 8 4 2 2 3 4 3 3 9 11 9 4 3 5 4 3 6 8 4 6 18 10 11 12 18 11 12 14 7 6 8 9 5 4 7 8 18 8 14 13 7 4 7 24 25 37 21 42 52 25 50 58 11 19 4 4 4 5 2 0 1 19 2 3 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 2 2 3 3 2 2 2 2 5 6 4 11 23 29 100 31 11 3 3 2 4 3 2 1 1 2 2 1 1 1 1 2 3 5 6 9 9 10 34 68 38 27 25 17 5 5 3 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 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 6H \| 72 71 m 1H \| 72 71 m 2H \| 63 63 t 1H J 59 \| 60 60 d 1H J 80 \| 51 51 s 2H \| 46 45 qq 1H J 15 30 \| 44 43 dt 1H J 54 82 \| 37 35 pd 2H J 31 68 \| 34 34 d 6H J 15 \| 31 30 m 1H \| 29 28 m 1H \| 23 22 m 1H \| 20 19 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cn2c3c(c(N4CCCC4)c(F)cc3c1=O)CCN2C	ir: 5 3 3 3 3 11 2 3 2 2 3 3 7 4 4 3 3 3 19 8 5 2 1 2 8 2 2 3 4 11 4 2 3 3 2 2 2 2 2 2 2 2 4 2 3 3 5 18 9 23 5 3 3 3 2 3 5 5 4 8 3 4 2 4 3 3 5 5 6 7 2 2 2 2 2 2 2 1 2 2 3 2 2 2 2 2 8 2 5 6 7 4 5 2 2 3 2 2 2 2 8 2 2 2 2 8 9 3 4 3 3 2 4 3 2 3 3 2 5 15 0 3 7 12 3 6 13 3 5 6 3 2 1 2 2 2 2 6 2 2 15 6 2 2 5 3 2 0 2 11 7 100 6 7 8 4 2 1 2 2 2 8 2 27 1 2 2 1 2 2 1 1 1 1 2 1 1 2 2 1 2 2 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 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 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 2 1 1 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 4 6 3 5 12 5 3 6 18 2 2 2 2 2 2 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 2 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 2 1 1; 1HNMR: 83 82 s 1H \| 81 80 d 1H J 121 \| 39 39 s 3H \| 37 36 td 4H J 18 35 \| 33 33 t 2H J 47 \| 30 29 td 2H J 35 47 \| 27 27 s 3H \| 20 20 p 4H J 20	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(C(F)(F)F)cc(Cl)n1	ir: 16 4 5 8 4 4 0 5 9 4 3 6 4 4 4 4 3 5 1 3 4 4 8 22 4 3 3 5 3 3 3 3 3 6 25 8 4 2 2 3 4 2 3 4 7 1 3 4 3 1 3 5 2 1 3 4 2 2 2 4 3 1 3 5 3 2 19 8 7 3 3 3 3 3 6 6 3 2 5 4 2 1 3 3 2 2 3 3 2 2 3 2 2 2 2 4 15 4 2 2 3 4 3 2 2 3 8 5 13 2 3 2 1 2 3 2 2 6 4 2 2 2 3 2 2 6 19 6 5 13 3 3 2 4 3 2 2 3 4 2 3 6 6 7 3 4 6 6 21 100 29 78 6 11 9 51 6 3 3 4 13 30 5 2 2 4 3 2 2 4 2 1 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 3 2 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 3 1 1 2 2 1 2 3 2 1 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 7 10 29 3 3 3 2 2 3 3 3 2 3 3 3 2 4 4 5 12 35 5 2 2 3 3 2 2 3 5 4 64 17 5 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 3 2 1 2 3 2 2 2 3 2 1 2 2 2 2 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 74 74 m 1H \| 69 69 d 1H J 23 \| 56 56 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cc(Nc2cc(C3CCCC3)n[nH]2)nc(NCCc2cc(C3CCCO3)no2)n1	ir: 4 5 6 3 7 28 13 15 15 23 22 6 21 9 7 7 9 7 5 4 9 8 6 2 3 4 4 3 3 8 2 3 3 6 4 28 100 11 5 5 3 1 2 7 4 25 17 35 40 13 4 3 2 3 1 4 2 2 3 1 3 3 4 3 3 2 3 1 2 3 5 12 64 35 12 9 7 2 2 1 0 0 1 1 1 1 1 1 0 1 2 2 0 3 12 5 3 6 7 2 2 3 1 13 6 25 39 19 1 10 6 14 9 5 7 5 1 1 2 1 3 3 7 5 1 5 4 2 5 5 4 3 2 7 3 5 5 31 13 11 9 5 4 24 16 5 5 8 21 3 12 4 43 10 10 90 6 16 8 4 5 2 12 39 16 6 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 1 1 1 1 2 2 4 2 1 1 3 4 2 9 12 3 4 14 24 25 5 4 2 5 2 2 1 2 0 1 1 2 4 0 2 2 2 1 2 5 22 70 13 44 96 33 5 2 2 1 1 0 1 1 1 1 1 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; 1HNMR: 92 92 s 1H \| 82 81 d 1H J 44 \| 74 73 s 1H \| 67 66 d 1H J 44 \| 63 63 d 1H J 7 \| 62 62 t 1H J 60 \| 62 61 q 1H J 8 \| 51 50 m 1H \| 41 41 ddd 1H J 28 47 109 \| 39 38 m 3H \| 35 34 pd 1H J 25 42 \| 31 30 td 2H J 8 72 \| 26 25 dddd 1H J 33 69 85 153 \| 23 20 m 4H \| 18 17 m 4H \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CNC(=O)c1c(O)c(-c2nccs2)cc2nc(-c3ccc(F)c(F)c3)cnc12	ir: 9 6 3 6 9 3 6 3 5 6 10 17 8 3 3 4 10 3 2 2 2 2 1 1 2 0 8 3 1 3 4 2 2 1 0 1 8 5 2 1 3 3 5 2 1 5 5 2 2 0 5 4 10 4 22 22 7 1 2 1 1 1 2 2 6 1 2 7 39 13 5 1 4 6 8 10 5 4 3 15 15 18 12 5 2 50 3 3 11 1 2 2 5 2 1 2 3 12 6 4 2 4 5 29 7 3 7 4 3 2 2 4 14 4 4 5 6 10 16 7 7 6 9 23 13 9 4 7 4 23 7 5 1 2 2 0 1 4 2 1 3 58 25 4 2 7 15 9 10 31 7 6 16 21 7 5 2 1 0 1 1 1 1 16 7 0 0 1 1 1 0 0 0 0 0 1 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 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 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 4 2 2 1 1 5 5 4 2 5 3 4 4 25 34 13 24 100 25 98 6 4 3 1 2 77 12 3 1 0 1 1 0 2 3 3 2 3 7 13 12 4 10 25 5 4 3 1 1 1 1 1 1 1 1 1 0 0 1 1 0 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; 1HNMR: 93 93 s 1H \| 84 83 s 1H \| 83 82 t 1H J 61 \| 79 78 ddd 1H J 22 39 96 \| 77 77 d 1H J 42 \| 77 76 ddd 1H J 22 36 122 \| 74 73 d 1H J 44 \| 73 72 td 1H J 47 100 \| 42 42 q 2H J 66 \| 41 41 d 2H J 62 \| 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.
COC(=O)/C=C/c1cccc2c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1CO2	ir: 0 5 8 4 18 13 6 6 4 7 17 7 5 5 5 2 2 2 1 2 2 3 2 1 1 1 6 3 4 1 3 16 1 1 2 1 3 1 1 0 1 2 2 3 3 3 3 2 6 5 8 5 1 1 1 0 1 1 0 2 1 2 2 1 1 1 2 8 2 2 1 0 1 4 4 3 1 2 1 3 5 15 5 9 3 1 1 1 1 1 3 1 2 2 1 0 1 2 1 2 2 1 3 2 2 2 3 3 3 3 4 7 5 5 5 15 10 9 7 10 9 3 7 3 3 4 4 3 4 7 12 9 5 3 2 4 13 3 1 2 5 2 35 4 2 2 4 3 9 3 5 100 10 1 1 3 3 10 8 2 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 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 2 1 1 1 1 1 2 1 1 1 1 2 4 6 17 7 11 9 21 4 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 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 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 79 m 1H \| 76 75 m 1H \| 73 73 t 1H J 80 \| 71 70 dd 1H J 15 79 \| 64 64 d 1H J 165 \| 45 45 dd 1H J 57 106 \| 44 43 p 1H J 55 \| 43 42 dd 1H J 56 106 \| 40 39 ddd 1H J 43 60 117 \| 39 37 m 2H \| 38 37 s 3H \| 36 35 m 4H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N/C(=C\C#N)c1ccc(F)cc1Cl	ir: 12 4 5 8 2 3 5 4 4 3 1 1 2 1 2 1 5 3 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 2 3 1 1 1 1 1 1 2 1 2 2 2 3 2 15 12 4 1 2 3 11 19 5 3 2 1 1 2 4 3 12 7 30 23 4 3 1 1 3 4 5 5 2 3 3 1 1 1 1 3 5 4 1 1 1 4 2 1 1 1 1 1 1 1 1 1 1 1 5 6 2 1 1 1 2 1 1 1 2 4 14 5 5 5 2 1 2 1 4 3 3 1 1 1 2 1 1 1 1 1 0 2 2 2 9 6 4 1 0 2 4 0 66 10 12 100 4 8 14 7 14 16 2 3 2 1 2 9 1 1 2 2 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 5 8 9 14 55 7 6 3 1 1 2 2 1 1 1 1 3 2 1 1 1 2 3 2 3 2 4 9 39 12 6 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; 1HNMR: 76 75 dd 1H J 49 82 \| 73 72 dd 1H J 21 121 \| 71 70 ddd 1H J 22 82 104 \| 71 70 s 1H \| 50 50 s 1H \| 43 42 q 2H J 63 \| 13 12 t 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(CO)COC(C2CCC2C2=NC(C)(CO)CO2)=N1	ir: 8 7 4 3 2 5 4 9 3 2 3 1 2 6 7 8 3 3 2 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 1 1 1 1 0 1 1 7 2 2 1 0 1 0 0 0 1 3 1 1 1 1 1 2 1 1 1 3 2 2 4 4 2 1 1 0 0 0 1 1 1 1 4 3 0 0 2 1 1 7 13 32 11 11 4 11 17 3 2 1 2 1 1 1 1 2 3 6 2 2 1 0 2 2 4 2 3 2 1 0 0 0 0 1 1 1 1 3 3 2 1 3 2 1 0 1 1 1 2 5 3 1 2 2 1 1 0 0 0 4 3 2 6 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 0 0 0 0 0 1 1 1 1 1 1 0 1 3 1 3 1 2 1 1 4 3 5 3 4 2 2 1 2 4 6 4 17 100 34 6 4 3 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 0 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; 1HNMR: 43 42 d 2H J 93 \| 40 40 d 2H J 95 \| 38 37 dd 2H J 64 104 \| 35 35 dd 2H J 64 104 \| 32 32 m 2H \| 32 31 t 2H J 63 \| 21 20 m 2H \| 18 17 m 2H \| 12 12 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccc(Sc2ccccc2)c1)c1ccn2c1CSC2c1cccnc1	ir: 4 2 0 4 4 2 1 2 3 2 0 4 3 2 3 2 3 1 0 2 2 2 4 4 7 5 3 9 12 10 4 4 5 17 4 3 5 2 3 17 19 15 18 19 20 13 87 28 5 3 2 4 8 8 5 4 14 4 3 4 3 6 7 6 3 8 9 14 11 3 13 3 2 1 3 3 1 4 6 4 2 3 5 7 9 4 2 8 2 2 5 4 3 10 5 2 1 4 4 3 0 2 3 6 13 11 4 2 0 2 2 3 7 30 18 2 0 4 8 4 1 5 3 4 1 15 5 1 0 2 3 2 0 6 8 9 0 5 15 23 17 16 31 72 13 3 4 24 14 2 4 4 22 21 18 9 5 11 34 13 4 59 6 3 3 3 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 2 1 1 1 2 1 0 1 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 0 1 2 2 1 1 2 1 0 1 2 2 0 1 2 1 1 2 4 1 0 1 3 4 2 3 5 9 7 26 100 56 37 9 13 14 11 5 6 3 1 2 2 2 1 2 2 1 2 2 3 2 5 5 6 16 32 5 2 2 1 2 2 2 1 2 1 0 1 2 1 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 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 85 85 m 3H \| 77 76 m 1H \| 76 75 t 1H J 21 \| 75 74 m 1H \| 74 73 m 8H \| 72 72 m 1H \| 67 67 m 1H \| 66 66 d 1H J 49 \| 60 59 d 1H J 8 \| 44 43 d 1H J 156 \| 43 42 d 1H J 157	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1c2ccccc2-c2sccc2N1S(=O)(=O)c1ccc(O)cc1	ir: 2 2 5 5 5 4 1 19 15 8 8 11 14 12 37 5 3 3 7 2 4 4 3 10 4 4 2 4 14 8 2 4 10 15 2 12 3 15 8 6 7 21 9 11 13 29 26 13 10 4 5 4 6 15 29 28 9 5 4 8 7 4 8 5 5 3 3 22 7 12 15 47 18 14 17 12 5 2 20 8 9 8 68 90 77 35 17 14 35 24 20 10 4 2 3 9 11 9 16 13 8 2 2 2 2 5 14 7 3 5 4 2 3 20 8 6 1 3 4 14 17 2 6 13 18 16 11 3 4 6 3 4 1 2 3 3 2 3 19 9 9 10 31 7 8 7 6 19 8 34 3 3 2 1 2 2 1 2 2 4 7 5 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 0 1 1 1 0 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 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 2 2 2 3 1 2 3 2 1 2 2 3 1 2 2 2 4 3 14 15 11 37 69 22 10 8 2 3 5 13 100 19 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 2 2 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 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: 83 83 s 1H \| 77 77 dd 1H J 13 77 \| 76 76 m 2H \| 74 73 m 2H \| 73 73 m 2H \| 73 72 td 1H J 12 79 \| 69 69 m 2H \| 52 51 qd 1H J 7 75 \| 16 15 d 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCCn1cc(CC(N)=O)c2ccccc21	ir: 4 10 3 11 4 4 6 4 7 2 8 8 12 17 13 10 11 7 10 10 6 16 23 26 17 8 10 14 14 27 29 18 15 6 4 4 5 2 3 6 4 45 41 68 8 1 4 6 3 5 6 5 4 3 3 3 2 1 3 3 2 1 2 9 12 16 13 12 4 5 5 8 3 4 4 10 10 14 6 3 4 3 3 6 3 8 10 3 3 3 4 5 10 12 10 5 4 3 5 3 3 4 8 13 8 4 3 3 7 14 6 7 2 3 2 4 6 3 4 5 1 5 3 4 5 2 4 4 3 3 4 4 2 2 2 2 2 3 14 12 6 4 1 7 27 25 10 8 10 5 7 3 6 6 14 11 36 97 49 14 15 7 5 1 2 3 2 0 1 2 1 0 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 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 0 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 4 3 3 4 6 7 5 4 1 5 7 10 19 17 35 33 10 13 13 8 2 2 2 1 0 2 2 2 3 8 7 15 16 10 6 3 4 4 3 1 4 5 12 35 95 100 33 20 4 1 1 2 2 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; 1HNMR: 77 76 m 1H \| 74 73 dd 1H J 15 65 \| 73 73 td 1H J 12 68 \| 72 71 td 1H J 15 70 \| 70 69 m 1H \| 65 65 s 2H \| 40 40 td 2H J 9 55 \| 36 36 d 2H J 9 \| 25 24 t 2H J 58 \| 24 23 s 5H \| 19 18 p 2H J 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC1C=CC=CC1(c1ccc(O)cc1)c1ccc(O)cc1	ir: 1 0 1 1 1 1 0 1 2 1 2 2 2 2 0 2 2 1 0 1 1 1 1 1 1 1 0 1 2 1 0 2 7 4 3 7 2 1 2 1 1 1 1 1 1 0 0 1 1 0 1 3 11 12 26 11 4 3 2 1 1 1 1 1 1 1 2 0 1 8 4 2 3 2 1 0 2 4 3 14 21 8 10 7 2 1 4 7 4 7 3 3 1 1 2 2 0 0 1 1 0 0 1 0 0 1 2 1 1 1 2 1 0 1 1 1 1 2 1 1 0 1 2 2 2 2 2 4 1 2 2 1 1 2 3 2 1 2 1 2 1 2 10 8 4 1 2 2 5 6 11 3 1 2 4 1 1 1 0 0 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 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 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 2 3 4 5 27 19 19 11 3 7 2 3 11 100 22 2 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 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; 1HNMR: 74 73 s 2H \| 72 72 m 4H \| 68 67 m 4H \| 63 62 m 2H \| 61 60 tt 1H J 11 78 \| 60 60 dt 1H J 15 89 \| 59 58 m 1H \| 53 52 dt 1H J 19 158 \| 52 51 dt 1H J 20 104 \| 35 34 ddtd 1H J 10 18 79 97	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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