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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
CC1CCN(C(=O)c2ccc3c(c2)c2c(n3C(=O)N(C)C)CCN(C(=O)OC(C)(C)C)C2)CC1	ir: 1 2 2 4 5 6 4 3 3 4 4 7 1 1 1 1 1 1 2 1 4 2 1 1 1 1 0 1 1 4 2 2 1 4 6 3 2 1 5 8 3 5 3 1 1 1 1 0 1 2 0 0 0 1 1 1 6 5 2 3 2 2 2 1 1 0 1 2 7 4 3 1 1 1 2 0 0 1 2 1 1 0 0 0 1 1 1 2 2 1 1 1 1 1 1 0 0 1 1 1 0 0 1 5 3 3 2 1 0 0 1 1 4 3 8 4 1 5 4 5 9 10 11 9 5 9 3 4 3 3 2 12 10 5 1 3 5 1 1 1 1 1 0 1 2 2 3 3 10 3 4 100 9 4 12 5 1 1 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 1 2 1 5 11 7 6 5 8 4 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 d 1H J 15 \| 78 77 dd 1H J 16 84 \| 77 76 d 1H J 84 \| 46 46 s 2H \| 38 37 m 5H \| 35 34 ddd 2H J 57 84 121 \| 30 30 m 7H \| 19 18 ddt 3H J 55 84 124 \| 17 17 ddtd 1H J 11 53 64 118 \| 16 15 ddt 2H J 55 84 125 \| 15 14 s 8H \| 10 10 d 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cnc(C(=O)Cl)c2c1C(=O)N(Cc1ccc(F)cc1)CC2	ir: 5 12 6 5 3 9 17 8 6 6 7 9 19 21 22 11 4 4 7 8 14 9 6 20 10 11 4 3 7 5 7 5 4 3 13 100 7 0 33 29 7 7 3 4 2 1 10 6 16 7 22 2 7 6 8 33 34 7 11 5 5 1 6 4 1 1 1 2 8 4 2 3 2 1 2 2 1 1 1 2 1 1 2 3 4 3 12 4 7 4 7 3 1 7 13 21 14 8 4 4 4 2 2 2 2 1 0 1 2 2 0 3 6 16 58 11 0 6 3 4 13 21 4 7 12 25 24 31 16 7 5 7 3 17 24 6 2 1 1 1 1 1 9 4 29 7 7 58 25 9 8 35 28 19 6 1 1 1 1 3 1 2 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 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 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 2 1 2 3 4 4 3 1 2 1 2 5 7 17 10 21 59 23 7 5 4 5 6 2 1 1 1 1 1 1 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 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 s 1H \| 74 73 ddt 2H J 9 35 81 \| 71 70 m 2H \| 46 46 t 2H J 9 \| 39 39 s 2H \| 38 37 t 2H J 55 \| 31 30 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccccc1CC(=O)O	ir: 1 4 5 1 1 2 2 1 2 2 3 3 5 6 7 4 3 4 5 7 8 9 8 10 3 3 3 2 2 8 3 8 6 5 2 1 1 2 3 4 7 11 5 5 7 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 1 4 2 1 3 2 1 1 2 1 6 5 12 5 26 8 5 4 2 2 2 1 1 2 9 6 2 1 0 1 1 1 2 1 2 1 1 2 4 2 1 1 1 1 1 1 2 1 1 2 2 3 4 2 4 4 3 3 4 3 2 2 1 1 1 1 1 1 1 1 1 4 21 5 2 2 5 13 7 14 22 6 2 3 21 3 3 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 1 1 0 1 1 1 0 1 1 2 0 1 1 2 1 2 3 6 4 11 12 7 3 4 3 1 1 3 5 19 100 17 1 2 2 1 0 1 1 1 0 1 1 1 8 5 5 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 8H \| 72 71 td 1H J 13 77 \| 71 71 dd 1H J 12 79 \| 59 58 d 1H J 97 \| 51 51 s 2H \| 42 41 ddp 1H J 15 69 100 \| 36 35 d 2H J 7 \| 23 21 m 1H J 67 \| 10 10 ddd 6H J 15 67 105	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(Cc3ccccc3C1)N2	ir: 0 22 5 7 20 9 5 5 3 27 7 5 7 4 5 3 3 3 3 4 2 14 4 2 1 6 2 2 4 2 3 4 2 4 3 2 3 7 12 27 33 70 5 10 19 4 7 5 3 10 3 12 4 3 4 4 14 3 4 3 3 5 2 3 4 5 5 18 8 4 3 3 2 5 9 6 4 8 11 6 15 9 12 9 8 2 4 4 18 22 8 2 3 2 2 3 2 2 4 3 3 2 4 5 13 9 15 7 7 16 5 11 4 6 9 17 20 19 20 18 25 25 10 24 17 18 14 10 18 24 19 11 9 6 5 11 7 23 3 35 7 2 1 2 5 7 21 44 10 49 3 3 3 2 7 29 5 2 3 2 2 1 1 2 17 0 1 2 1 0 1 2 1 1 1 2 1 1 2 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 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 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 5 14 5 5 6 19 12 16 21 10 8 6 23 21 20 100 22 38 27 73 15 12 4 4 4 3 3 4 2 3 1 3 3 3 1 5 14 18 31 7 12 9 14 24 22 10 13 4 3 2 2 2 2 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 79 78 t 1H J 50 \| 75 74 s 1H \| 72 72 m 4H \| 63 62 s 1H \| 38 37 s 2H \| 35 34 m 4H \| 33 33 s 2H \| 32 31 m 4H \| 29 29 dd 2H J 6 147 \| 25 25 s 2H \| 21 20 m 2H \| 19 18 p 2H J 58	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12	ir: 0 1 1 3 5 1 1 1 0 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 0 2 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 4 1 2 10 100 14 5 3 2 5 2 2 1 1 1 0 1 1 1 0 0 0 0 0 0 0 1 2 1 1 0 0 2 2 1 3 1 1 1 2 1 1 0 1 1 1 0 1 0 1 2 3 4 2 1 1 5 2 1 1 1 2 2 2 10 6 3 6 2 1 1 2 1 1 1 1 1 0 1 1 1 2 1 1 1 1 1 1 1 1 2 1 3 3 4 4 4 4 11 7 2 1 1 2 1 2 8 5 3 3 8 9 2 1 0 1 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 2 1 1 3 4 12 31 15 3 6 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 81 81 m 2H \| 79 78 ddt 4H J 16 79 98 \| 76 75 tt 2H J 10 74 \| 75 74 m 4H \| 72 72 dq 2H J 10 80 \| 34 33 m 3H \| 31 30 ddd 2H J 7 68 152	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12C[C@H](F)[C@H]3[C@@H]([C@H](CCCCCBr)CC4=CC(=O)CC[C@@H]43)[C@@H]1CCC2=O	ir: 3 2 2 2 6 4 1 2 2 5 3 5 5 2 1 3 2 3 7 6 3 8 5 7 3 2 2 5 4 4 2 2 2 1 1 3 2 1 2 5 6 7 6 3 2 2 3 2 2 2 11 7 3 7 6 5 3 2 2 4 6 1 12 4 2 2 3 5 2 3 2 2 3 2 9 4 4 9 14 13 6 2 3 2 1 2 1 2 7 49 6 6 3 2 3 4 4 4 6 10 2 4 11 14 6 19 7 7 7 14 14 10 2 17 15 15 17 10 19 34 12 7 6 7 9 5 6 6 5 8 5 2 2 6 5 5 2 3 5 4 33 7 5 5 46 8 3 1 2 2 2 1 1 2 2 1 2 2 1 8 61 6 2 0 1 3 2 0 1 3 1 0 1 3 1 0 1 2 1 0 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 0 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 2 2 2 2 3 5 4 8 8 12 12 8 7 11 4 5 7 12 100 11 10 8 6 1 2 4 2 1 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 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 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 1 1; 1HNMR: 58 58 dp 1H J 9 18 \| 49 48 m 0H \| 48 47 dddd 0H J 26 33 40 67 \| 34 34 t 2H J 47 \| 26 25 dddd 1H J 18 31 41 78 \| 26 25 m 1H \| 25 24 m 1H \| 25 24 m 1H \| 24 22 m 2H \| 21 20 m 3H \| 19 18 m 5H \| 17 12 m 12H \| 11 10 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)NC1CCN(Cc2cccc(Br)n2)CC1	ir: 6 7 3 4 6 17 6 5 3 9 3 3 2 2 5 3 2 2 1 2 2 1 3 4 4 3 2 24 53 16 14 13 3 6 13 4 4 5 7 2 2 2 5 4 3 12 40 35 12 3 2 3 2 3 3 11 4 3 2 3 2 3 3 2 6 1 2 3 1 2 3 8 8 2 3 4 5 5 8 7 7 13 35 16 5 3 2 2 2 2 2 2 1 2 3 5 7 4 8 7 9 5 5 4 7 9 4 4 8 17 13 8 3 2 2 3 6 3 3 3 3 3 3 6 4 7 3 3 8 20 8 8 8 16 15 4 6 27 12 4 1 2 10 4 25 100 10 4 7 51 12 1 6 16 28 12 11 5 4 2 1 3 1 0 1 2 1 0 1 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 1 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 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 2 1 3 4 3 2 2 3 3 1 6 8 38 13 7 41 8 8 2 2 1 1 2 2 1 1 4 2 2 2 2 2 1 1 2 2 2 7 4 44 49 36 14 4 2 1 3 2 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 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 0 1 2 1 0; 1HNMR: 76 75 t 1H J 79 \| 73 72 dd 1H J 11 79 \| 72 72 dq 1H J 10 79 \| 45 44 d 1H J 71 \| 37 36 m 3H \| 29 28 ddd 2H J 55 82 126 \| 25 25 ddd 2H J 55 83 126 \| 20 19 dddd 2H J 45 55 82 128 \| 17 16 dddd 2H J 46 57 84 129 \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1nn(-c2ccc(C#N)c(Br)c2)c2nccc(-c3cnc4ccccc4c3)c12	ir: 0 2 4 3 3 4 4 3 1 3 4 3 3 4 6 9 4 9 5 3 0 4 7 18 4 4 6 2 2 4 4 4 4 3 3 8 4 3 7 3 3 14 6 12 4 7 16 18 37 6 3 0 6 5 3 18 11 6 2 1 3 11 4 1 5 5 9 18 11 9 8 3 6 9 13 3 6 4 4 1 4 4 8 2 4 9 2 2 4 3 3 6 14 5 2 2 4 3 1 2 4 2 1 18 6 11 4 3 8 6 1 3 4 3 1 5 5 5 2 4 7 6 5 6 4 4 1 5 6 3 2 3 4 3 15 4 20 4 4 7 4 2 2 7 9 9 7 13 4 6 17 10 28 13 100 11 14 2 5 29 3 1 5 4 3 1 28 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 33 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 3 2 1 2 4 3 1 2 6 3 3 7 18 31 50 33 18 5 2 3 5 2 1 3 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 93 93 d 1H J 16 \| 89 89 t 1H J 19 \| 86 85 d 1H J 38 \| 82 82 d 1H J 21 \| 80 80 dd 1H J 14 77 \| 80 79 m 1H \| 78 77 m 2H \| 77 76 m 2H \| 76 75 td 1H J 16 85 \| 32 31 p 1H J 62 \| 14 14 d 6H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ON=C1CCc2cc(Nc3c(-c4cccnc4)sc4cnccc34)ccc21	ir: 6 4 9 16 9 8 45 14 36 10 7 6 24 49 8 9 28 13 9 11 7 20 14 6 5 15 17 8 6 49 6 12 2 29 27 3 6 8 3 10 2 1 2 13 8 3 2 11 24 3 2 5 4 34 100 8 11 10 5 25 5 15 25 27 12 8 8 6 13 4 5 7 2 2 2 2 5 10 2 3 10 95 13 5 2 6 16 4 1 1 3 2 2 2 6 12 11 3 1 6 90 46 11 5 3 47 3 1 6 4 5 21 72 4 3 5 1 2 3 6 13 33 22 17 14 7 3 3 8 13 3 1 1 1 2 1 2 12 25 57 45 37 6 2 1 1 2 1 1 19 36 14 34 18 25 1 6 7 5 9 2 1 4 16 2 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 2 4 2 1 0 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 2 1 3 2 3 2 1 1 3 17 25 10 17 60 34 6 12 5 2 5 5 72 84 12 3 2 1 0 2 2 1 2 2 3 4 4 5 11 36 99 10 3 1 1 1 1 2 1 2 2 0 1 1 0 0 0 0 0 0 0 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 0 0 0 0 0 0 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: 89 89 d 1H J 15 \| 88 88 s 1H \| 87 86 dd 1H J 17 48 \| 86 86 dd 1H J 15 38 \| 85 85 d 1H J 19 \| 79 78 m 2H \| 77 77 s 1H \| 75 74 d 1H J 82 \| 74 74 dd 1H J 48 73 \| 71 71 m 2H \| 31 30 m 2H \| 30 29 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N)ccc1Oc1cccc(OC(F)(F)F)c1	ir: 16 15 5 17 10 6 5 3 5 4 6 3 3 4 5 2 3 5 5 3 1 2 2 2 1 3 3 1 3 5 4 1 2 4 4 2 3 3 2 2 3 2 1 2 2 1 3 23 21 4 2 3 2 6 46 12 2 3 1 1 2 6 3 5 4 7 3 9 13 5 6 0 3 2 1 0 2 3 3 13 5 5 1 1 2 2 5 2 5 4 1 8 4 2 1 1 3 6 18 12 5 16 4 1 2 2 1 2 7 1 0 1 2 2 1 2 2 2 0 1 2 1 0 1 2 1 1 1 2 1 1 2 1 1 0 1 2 0 0 2 8 9 1 3 2 1 1 2 2 1 1 3 5 6 12 27 14 13 7 3 3 14 4 100 6 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 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 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 2 2 3 5 4 4 5 43 25 5 2 1 1 2 1 0 1 2 1 0 1 2 1 0 2 11 11 3 1 1 1 1 1 1 1 2 3 41 17 5 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 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 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; 1HNMR: 73 73 m 1H \| 70 70 ddd 1H J 12 21 71 \| 68 67 m 3H \| 66 66 m 2H \| 42 42 s 2H \| 21 21 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NO)c1sc(N2CCOCC2)nc1Cc1ccc(Cl)c(Cl)c1	ir: 7 8 2 4 2 3 2 5 3 3 4 2 4 2 2 5 4 7 12 8 7 10 8 11 4 10 5 3 4 4 8 6 27 10 5 6 4 2 9 3 2 2 2 0 5 12 2 2 2 3 5 5 3 8 7 19 4 4 2 3 4 3 2 2 2 3 3 20 7 5 4 6 15 12 3 2 1 3 7 12 5 3 5 7 3 3 2 14 5 9 9 16 14 24 4 26 89 100 18 6 2 4 4 7 0 2 2 4 6 9 5 4 2 2 5 4 2 1 3 4 3 2 5 7 3 4 1 2 1 1 1 1 1 1 2 3 3 2 4 5 15 4 3 4 17 33 9 3 55 9 8 2 9 2 2 2 2 2 2 2 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 3 3 4 3 5 6 8 5 4 3 3 5 6 13 13 12 31 54 10 7 10 4 6 16 5 88 80 12 4 4 2 3 6 3 4 10 10 12 5 3 11 18 35 20 4 3 3 3 2 2 3 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; 1HNMR: 98 97 d 1H J 29 \| 74 73 d 1H J 81 \| 73 72 dt 1H J 9 20 \| 71 70 ddt 1H J 9 20 81 \| 42 41 t 2H J 9 \| 39 38 m 5H \| 36 35 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(-c2ccc(OC)cc2)c(OCCO)c(-c2ccc(OC)cc2)c1	ir: 20 18 7 17 8 6 7 6 6 5 4 1 0 4 4 4 5 2 3 4 3 6 14 5 1 2 1 2 2 3 2 1 2 3 2 2 4 5 5 3 3 3 2 1 1 3 2 1 2 2 1 2 3 6 10 26 14 7 4 5 5 8 10 8 5 10 7 17 15 8 2 5 3 5 3 4 3 3 1 1 1 2 1 1 4 10 4 9 33 16 2 2 5 17 13 2 6 2 1 1 1 1 0 1 2 1 1 1 2 1 2 7 7 5 7 4 3 2 5 11 12 4 2 5 5 4 6 8 3 7 1 2 1 0 0 1 1 1 2 10 2 1 2 25 2 93 6 11 8 8 6 6 13 2 1 2 4 14 2 1 1 1 1 2 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 3 1 1 1 4 3 12 9 18 24 83 18 12 6 4 4 2 23 100 13 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 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 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; 1HNMR: 83 82 s 2H \| 74 73 m 4H \| 70 69 m 4H \| 44 44 q 2H J 64 \| 41 41 t 2H J 47 \| 38 38 m 2H \| 38 38 s 6H \| 34 34 t 1H J 62 \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)ccc1C(=O)Cl	ir: 6 8 12 8 8 15 17 15 8 13 18 12 4 11 14 15 4 21 25 19 16 74 76 17 14 11 9 8 8 9 8 3 4 9 11 10 18 67 28 11 9 14 7 3 5 9 7 2 5 11 6 5 14 43 41 3 8 17 8 2 6 15 18 13 45 75 22 16 28 17 43 26 21 24 9 11 11 8 4 3 7 8 3 3 8 9 6 7 18 17 10 9 10 7 3 4 9 11 8 16 44 31 17 17 24 50 54 19 10 7 3 6 10 8 5 9 13 9 3 10 13 10 8 9 22 23 11 13 16 11 6 43 36 11 13 18 14 10 7 12 11 4 5 12 13 9 21 13 8 43 57 42 20 27 29 18 15 3 5 9 6 18 29 25 8 0 5 10 6 0 6 10 6 1 5 9 5 1 6 9 5 1 6 9 4 1 6 8 3 2 6 8 3 2 7 7 3 2 7 7 2 3 7 7 2 3 7 6 2 3 8 6 2 4 8 6 1 4 8 6 1 4 9 5 1 5 9 5 1 5 9 5 1 5 8 4 1 5 8 4 2 6 8 4 2 6 7 4 2 6 7 3 2 7 7 3 3 7 7 3 3 7 7 3 3 7 6 3 4 9 8 4 4 10 6 2 5 10 7 4 14 14 10 8 26 34 45 62 100 26 18 9 11 11 7 5 7 9 6 3 6 7 4 3 6 7 4 3 6 7 3 3 7 7 3 3 7 6 3 4 7 6 3 4 7 6 2 4 7 6 2 4 8 5 2 5 8 5 2 5 8 5 2 5 8 5 2 5 8 4 2 5 7 4 2 5 7 4 3 6 7 4 3 6 7 4 3 6 6 3 3 6 6 3 3 7 6 3 4 7 6 3 4 7 6 3 4 7 5 2 4 7 5 2 5 7 5 2 5 8; 1HNMR: 79 78 d 1H J 85 \| 71 71 m 1H \| 68 68 m 1H \| 39 39 s 3H \| 23 23 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(Cc1ccc(O)c(C)c1)OCC	ir: 5 27 10 2 6 3 3 6 6 3 2 2 1 4 8 17 4 5 1 4 2 3 3 1 7 4 2 1 1 1 1 2 2 8 3 2 9 8 2 1 1 1 1 1 1 1 1 0 1 1 1 1 2 12 15 21 4 1 3 1 1 2 1 1 7 1 2 2 1 2 3 4 9 1 11 7 12 14 92 16 5 6 3 2 1 2 0 14 6 18 25 5 2 3 2 1 0 1 8 8 1 4 4 2 0 1 1 3 1 1 2 1 4 6 5 5 3 4 6 5 3 6 3 2 2 1 1 4 2 3 1 2 1 1 0 1 1 1 0 1 2 1 2 12 7 7 59 2 1 2 8 2 1 1 1 1 1 0 0 0 0 1 1 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 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 1 1 1 1 1 0 2 1 2 1 1 1 1 3 1 2 3 1 2 4 2 2 2 1 1 2 14 7 5 7 10 5 2 1 1 2 4 19 16 100 12 2 2 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 2 3 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; 1HNMR: 70 69 dd 1H J 11 20 \| 69 69 ddt 1H J 8 19 85 \| 67 66 d 1H J 85 \| 60 60 s 1H \| 42 41 m 3H \| 38 37 dq 1H J 64 114 \| 36 36 dq 1H J 64 114 \| 31 30 ddt 1H J 9 67 139 \| 29 28 ddt 1H J 9 67 139 \| 22 22 s 2H \| 12 12 t 3H J 64 \| 11 10 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(CNC(=O)c2sc(N3C[C@@H](C)N(Cc4ccc(F)cc4)C3=O)nc2C)no1	ir: 8 5 4 2 2 11 16 9 10 4 5 3 1 3 3 6 3 4 5 4 5 8 3 4 8 15 7 3 5 19 11 14 25 20 54 68 8 15 13 19 27 29 7 4 8 9 7 10 23 6 10 14 8 36 21 12 15 40 6 3 4 4 6 4 3 10 3 9 9 14 6 7 15 22 17 10 4 2 8 20 3 3 5 12 22 14 7 9 7 8 4 1 3 3 2 5 4 27 16 4 6 8 2 3 2 2 2 9 5 6 1 2 5 5 3 5 3 7 8 21 28 11 20 29 55 20 28 8 9 7 6 6 4 3 5 6 25 100 18 58 27 13 14 15 36 92 16 40 88 52 9 6 15 12 98 36 9 3 2 2 1 2 1 1 1 1 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 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 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 2 4 5 4 2 1 5 7 6 2 4 3 8 7 9 7 28 27 36 74 36 40 12 7 6 9 2 2 4 4 2 0 2 3 2 1 3 5 5 6 23 30 23 25 51 20 16 9 5 2 2 1 1 1 1 0 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 82 81 t 1H J 63 \| 73 73 ddt 2H J 9 35 80 \| 71 70 m 2H \| 63 63 d 1H J 9 \| 49 48 dt 1H J 8 123 \| 46 45 dt 1H J 8 126 \| 44 44 dd 1H J 30 114 \| 44 43 dd 2H J 9 62 \| 42 41 m 2H \| 26 26 s 2H \| 24 24 s 3H \| 14 13 d 3H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1CC2CCN1CC2	ir: 19 6 0 5 11 8 1 5 9 7 8 6 8 4 1 6 8 5 2 6 8 4 3 9 10 9 35 39 11 10 6 7 7 2 3 7 7 1 3 8 6 2 3 9 10 16 25 56 52 8 7 9 5 2 5 10 5 0 6 11 6 0 5 9 4 0 6 9 6 4 16 14 3 1 6 17 7 1 9 22 100 14 7 7 35 38 7 6 3 5 9 6 3 4 12 7 3 8 16 10 3 4 9 6 3 10 29 24 14 8 24 10 4 5 16 14 7 13 13 7 5 6 10 9 5 9 8 7 5 14 18 4 3 6 7 3 2 6 7 3 2 6 6 2 3 7 6 3 3 7 6 2 3 7 6 2 3 7 5 2 4 7 5 1 4 8 5 1 4 8 5 1 5 7 4 2 5 6 5 58 43 8 3 1 5 8 3 1 6 7 3 2 6 7 3 2 6 7 3 2 6 6 2 3 7 6 2 3 7 6 2 3 7 5 2 4 7 5 2 4 7 5 1 4 8 5 1 4 8 4 1 5 8 4 1 5 7 4 2 5 7 4 2 5 7 4 2 6 7 3 2 6 6 3 3 6 6 3 3 6 6 3 3 7 6 3 4 7 6 3 4 8 6 4 9 15 9 17 9 15 7 5 11 24 45 4 5 9 5 2 5 7 4 2 5 7 4 2 5 7 4 2 5 7 3 2 6 6 3 3 6 6 3 3 6 6 3 3 6 6 3 3 6 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 4 2 5 7 4 2 5 7 4 2 5 7 4 2 5 6 4 3 5 6 3 3 5 6 3 3 6 6 3 3 6 6 3 3 6 5 3 4 6 5 2 4 6 5 2 4 7 5 2 4 7 5 2 4 7 4 2; 1HNMR: 39 39 m 1H \| 30 29 ddd 2H J 37 64 114 \| 28 27 ddd 2H J 37 64 114 \| 21 21 m 1H \| 21 20 m 1H \| 21 20 dd 1H J 36 63 \| 19 18 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1c(F)c(F)cc(C(=O)O)c1F	ir: 1 1 1 1 1 1 0 1 1 1 2 4 3 4 0 3 8 23 6 2 6 10 100 71 4 12 14 13 0 2 3 3 1 2 1 1 0 1 1 1 5 3 1 0 1 3 4 1 1 1 1 0 1 1 1 0 1 2 1 0 2 2 1 0 1 1 1 1 12 11 2 3 2 5 9 5 4 5 44 23 3 2 0 1 3 1 0 1 4 2 2 1 1 1 2 1 1 1 0 1 5 1 0 0 1 1 0 1 2 5 3 2 4 4 1 1 2 2 1 6 11 1 1 1 2 1 0 1 4 1 0 1 1 1 0 1 1 3 1 2 2 0 1 2 22 52 6 1 1 1 2 1 6 1 0 1 1 0 0 1 1 1 1 1 1 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 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 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 2 1 0 1 1 1 1 1 1 1 1 1 1 2 6 3 2 40 3 2 1 1 1 0 1 1 2 62 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 dt 1H J 48 121 \| 43 42 q 2H J 62 \| 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.
CCCS(=O)(=O)N1CCC(CN)(c2ccccc2)CC1	ir: 7 4 3 5 6 15 16 32 14 5 1 4 5 2 0 3 4 1 1 4 4 2 3 4 3 1 1 3 3 1 5 6 7 2 1 4 8 2 4 9 20 100 9 8 6 7 18 10 9 14 5 9 3 0 6 6 12 18 12 7 9 7 9 5 3 6 8 17 26 16 16 18 8 19 18 10 7 4 6 22 22 30 20 14 16 16 15 83 8 13 13 5 3 2 5 4 4 4 5 8 9 8 17 13 9 8 4 3 1 2 3 3 2 3 5 4 2 4 6 8 6 5 5 4 5 6 7 9 7 7 10 7 37 34 41 32 20 5 10 4 4 5 4 2 7 14 12 2 3 3 3 1 2 4 9 2 1 3 2 1 2 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 0 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 2 3 6 5 3 3 5 5 2 6 7 10 13 21 24 18 7 4 7 2 1 2 3 2 3 4 4 7 21 30 8 6 4 9 12 4 67 65 15 4 5 2 1 2 2 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 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 74 73 m 4H \| 73 72 m 1H \| 34 33 ddd 2H J 44 71 132 \| 33 32 ddd 2H J 44 70 132 \| 32 31 m 4H \| 22 21 ddd 2H J 44 70 128 \| 20 19 ddd 2H J 44 70 128 \| 19 17 h 2H J 88 \| 14 14 t 2H J 66 \| 10 10 t 3H J 87	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccccc1-c1ccc(C(=O)OC)cc1COC	ir: 3 4 10 6 20 22 17 9 7 12 6 4 3 3 3 2 3 2 5 4 15 36 9 4 3 3 3 3 3 4 2 2 2 3 7 6 6 6 2 4 4 2 56 33 4 8 4 3 3 3 3 3 3 3 16 22 10 21 4 3 3 5 3 5 3 4 8 9 23 42 9 4 8 5 3 9 3 5 3 3 3 4 3 2 3 5 11 4 8 11 7 3 7 29 10 4 3 2 3 2 3 2 2 2 3 3 2 2 3 2 1 4 9 9 9 52 25 19 11 5 9 6 5 9 12 8 9 7 8 5 5 3 3 2 3 8 30 9 7 36 8 5 9 32 41 9 5 67 8 6 18 14 2 3 3 6 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 3 3 3 3 4 4 3 10 25 0 44 100 32 20 6 3 4 4 3 2 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 79 m 2H \| 76 75 m 2H \| 74 73 td 1H J 20 74 \| 73 73 ddt 1H J 8 18 77 \| 73 72 td 1H J 11 75 \| 48 47 d 2H J 8 \| 39 39 s 3H \| 35 34 s 3H \| 28 27 qd 2H J 8 73 \| 13 13 t 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(Cc1ccc(OCCN2CCSc3ccccc32)cc1)C(=O)NCc1ccccc1	ir: 3 3 7 7 3 4 4 3 8 10 9 2 4 6 11 7 11 8 4 12 8 5 9 7 9 7 7 6 15 16 22 13 4 7 10 16 22 20 30 31 28 81 84 18 7 16 11 5 5 16 5 7 9 7 7 8 10 7 2 5 3 3 5 6 4 3 7 16 8 41 11 5 10 7 8 9 6 19 18 6 3 1 1 3 6 2 6 17 29 21 3 2 4 10 4 2 5 6 7 5 2 5 5 4 6 11 8 4 3 5 2 2 4 4 2 3 5 4 7 11 10 23 9 17 2 12 5 8 17 4 5 4 5 2 10 12 10 16 2 7 13 39 78 32 33 28 25 42 24 48 15 11 11 6 3 1 1 2 2 2 6 4 3 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 4 3 6 4 2 1 4 4 7 11 21 22 47 100 82 27 11 7 7 5 5 4 4 2 2 2 2 1 2 3 2 2 3 3 6 7 20 25 43 8 11 4 5 1 2 1 1 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 72 m 8H \| 71 71 dt 2H J 8 89 \| 70 69 m 2H \| 68 68 m 2H \| 44 44 ddt 1H J 9 57 141 \| 44 43 m 2H \| 42 41 t 2H J 60 \| 38 38 m 2H \| 38 37 m 3H \| 37 36 dq 1H J 64 114 \| 31 30 m 3H \| 29 28 ddt 1H J 9 60 148 \| 12 12 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)S(=O)(=O)N1C[C@H]2CN(c3nc4ccc(-c5ccccc5)cc4[nH]3)C[C@H]2C1	ir: 4 6 10 9 10 6 9 7 15 8 7 6 3 2 5 2 4 5 12 100 23 5 7 13 6 5 5 1 3 3 4 5 12 6 5 1 2 3 2 0 4 35 2 5 7 2 4 4 3 3 1 1 2 3 7 25 6 3 2 1 2 2 4 2 11 9 14 13 38 16 10 13 4 3 6 5 12 19 7 10 5 3 2 4 3 25 9 7 24 41 27 13 10 13 8 3 7 8 3 6 6 6 5 15 11 4 3 12 15 8 4 2 2 3 2 2 2 7 7 4 3 4 3 2 2 6 2 6 3 2 2 4 3 2 2 15 1 2 3 2 13 18 33 5 5 3 3 8 25 5 5 11 11 3 10 6 4 2 2 3 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 1 3 2 2 9 3 3 1 10 10 18 54 26 5 4 4 3 1 2 2 2 1 1 1 1 1 1 1 2 2 2 2 2 2 4 4 9 17 13 3 6 3 2 1 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; 1HNMR: 82 82 s 1H \| 80 80 dd 1H J 22 81 \| 78 78 d 1H J 21 \| 78 77 d 1H J 80 \| 77 77 m 2H \| 75 74 m 2H \| 74 73 ddt 1H J 14 64 80 \| 41 40 dt 2H J 18 122 \| 38 38 dd 2H J 35 122 \| 32 32 dt 2H J 20 118 \| 30 29 m 3H \| 24 23 dtdq 2H J 19 37 72 108 \| 13 12 dd 6H J 26 89	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C(Br)CC1CCC(F)(F)CC1)C1(C(F)(F)F)CC1	ir: 5 7 3 3 7 5 2 4 5 2 2 4 4 7 3 3 21 2 2 4 4 3 4 3 3 1 1 3 3 1 1 3 4 2 2 3 3 1 2 4 6 3 13 16 6 3 5 5 2 1 5 7 8 6 4 3 3 3 2 5 3 1 2 3 2 1 3 6 4 3 2 4 2 1 3 3 2 2 3 3 6 6 3 3 3 8 6 3 18 40 50 22 3 5 8 8 6 10 16 75 60 20 3 3 8 12 22 11 11 6 8 4 4 4 7 4 6 8 9 7 7 26 35 30 14 12 13 18 15 7 16 4 4 3 3 2 3 4 4 10 10 100 25 15 2 4 4 0 1 5 5 5 5 4 3 1 2 3 2 1 2 4 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 4 4 4 7 10 11 8 5 6 7 21 16 17 17 23 4 4 4 14 16 8 3 4 5 4 5 3 3 3 1 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 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 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 46 45 t 1H J 79 \| 23 22 ddd 1H J 63 78 143 \| 21 20 m 3H \| 20 20 m 2H \| 20 20 m 1H \| 20 19 m 1H \| 19 17 m 5H \| 17 15 ddddd 2H J 45 70 86 99 112	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1(C)Cc2cccc(O)c2C1	ir: 4 6 3 3 1 2 9 7 3 5 8 8 6 9 8 5 4 3 5 2 3 3 2 2 2 3 3 2 1 1 1 2 2 1 1 2 1 2 1 2 3 2 2 3 13 40 54 14 8 7 2 4 3 5 2 2 2 3 4 2 4 1 2 2 2 3 2 5 3 2 3 8 28 27 2 3 2 4 6 10 18 100 58 12 12 4 2 1 3 5 3 8 40 6 0 1 7 10 6 8 5 5 2 1 2 2 1 1 3 2 1 7 10 19 15 8 6 3 5 4 3 6 5 4 5 7 6 4 5 4 2 3 2 2 2 3 8 2 2 10 12 2 1 3 10 16 3 3 2 1 1 2 2 1 1 2 17 6 1 2 1 1 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 3 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 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 3 2 2 2 2 2 2 3 3 3 2 2 2 4 6 10 6 5 52 15 4 2 1 2 3 4 44 42 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 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; 1HNMR: 70 70 dd 1H J 68 86 \| 69 69 dq 1H J 9 69 \| 67 66 dd 1H J 11 86 \| 57 56 s 1H \| 37 37 s 3H \| 32 32 d 1H J 158 \| 32 31 dd 1H J 9 141 \| 30 29 d 1H J 158 \| 29 28 dd 1H J 9 141 \| 13 12 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(F)c1C1CC(C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1	ir: 0 2 2 2 0 1 1 2 5 10 3 9 7 4 2 2 3 3 0 1 2 2 1 1 2 1 0 1 1 1 1 1 1 1 1 4 4 7 3 6 5 3 3 3 4 2 6 66 11 3 5 3 6 9 16 2 7 6 3 3 3 4 4 15 9 7 4 7 4 7 8 20 8 4 11 12 6 4 2 5 7 8 1 6 2 4 19 4 2 6 7 10 5 8 10 5 4 15 23 15 2 2 7 4 1 16 33 35 10 4 5 4 3 3 3 3 5 14 24 25 42 15 3 7 12 8 15 29 11 14 6 3 3 1 1 1 3 3 14 10 20 4 1 1 13 34 5 5 2 3 20 6 12 1 1 4 23 7 2 1 1 1 1 0 1 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 3 4 8 10 3 3 3 8 5 10 11 5 10 12 25 41 73 9 77 100 36 18 16 4 4 2 4 3 1 2 1 1 0 1 1 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; 1HNMR: 78 78 m 2H \| 73 72 m 3H \| 71 71 t 1H J 9 \| 70 70 ddd 1H J 12 82 101 \| 68 67 dd 1H J 12 81 \| 49 49 td 1H J 48 58 \| 48 48 m 1H \| 47 47 dd 1H J 8 131 \| 39 38 s 2H \| 29 28 qt 1H J 53 63 \| 24 23 m 2H \| 24 23 s 2H \| 21 21 dt 1H J 56 121 \| 11 11 d 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1ncc(Br)c(Cl)c1C(F)(F)F	ir: 8 7 7 6 5 5 7 5 9 6 7 6 5 12 41 15 15 9 38 23 5 6 7 12 13 28 25 29 10 18 6 6 7 5 7 13 11 13 13 8 7 8 17 7 14 6 5 5 4 5 5 4 5 5 5 6 5 5 5 5 5 7 6 5 12 6 5 4 5 5 5 4 5 5 5 5 10 15 14 4 5 5 4 4 5 5 4 5 7 14 5 5 6 7 51 9 7 21 34 17 6 12 7 5 4 5 5 5 9 9 8 5 5 5 5 5 4 6 14 8 9 5 6 5 5 5 7 7 8 21 10 19 6 5 5 5 5 5 5 6 7 15 26 4 5 7 12 45 51 100 11 9 8 6 5 0 50 5 8 6 5 3 4 6 5 3 4 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 6 5 6 5 5 5 4 4 5 5 5 5 5 6 9 23 7 6 4 5 5 5 5 5 5 5 6 5 5 5 4 5 6 5 6 5 5 5 5 5 10 8 13 89 8 7 6 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5; 1HNMR: 85 85 s 1H \| 84 83 s 1H \| 15 14 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1nc(N2CCOCC2)c2nnn(Cc3ccccc3Cl)c2n1	ir: 15 9 9 10 16 10 13 9 15 11 11 13 13 9 9 11 14 17 29 15 22 12 7 9 11 9 11 19 16 11 9 13 15 15 13 20 12 14 11 31 48 21 40 23 15 9 9 9 9 11 11 10 52 55 14 15 15 8 10 11 13 10 18 25 16 7 14 16 13 14 10 10 28 42 17 19 9 8 10 11 10 8 10 21 22 10 14 14 17 29 17 15 12 13 15 17 10 11 17 12 16 11 12 10 16 31 25 11 8 9 15 12 10 13 16 13 9 11 12 12 10 18 16 21 11 20 31 19 25 27 26 17 15 13 16 23 91 62 14 10 17 26 17 12 9 63 13 20 23 14 12 0 4 76 79 31 19 73 15 11 9 7 8 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 8 8 8 8 8 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 10 10 13 14 14 13 10 9 11 10 11 14 18 16 22 26 100 26 15 10 9 9 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 8 8 8 8 8 8 8 9 8 8 8 8 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7; 1HNMR: 74 73 m 1H \| 73 72 m 2H \| 71 70 m 1H \| 56 56 d 2H J 9 \| 39 38 m 5H \| 37 36 m 5H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)Cc1cc(C)c2[nH]c(=O)c(C)cc2c1O	ir: 3 2 21 1 2 1 1 0 4 1 1 1 1 1 2 0 1 1 2 2 1 4 16 2 5 1 1 4 1 1 1 2 2 1 1 1 1 1 1 4 2 2 4 32 27 7 2 0 1 4 1 1 1 1 1 0 0 1 1 4 0 1 1 1 1 3 2 4 2 3 2 3 3 3 3 8 12 7 1 0 1 1 0 0 1 1 2 3 3 5 7 13 1 1 0 0 1 1 1 1 6 3 2 2 1 1 2 3 1 1 1 4 3 1 0 1 1 1 4 1 1 1 0 1 1 2 1 1 3 2 1 1 2 1 1 9 3 1 1 1 2 1 0 1 1 2 4 0 0 1 1 0 2 100 3 2 1 1 2 1 7 0 1 5 26 2 1 1 0 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 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 3 2 1 3 1 1 3 6 5 2 1 2 5 1 3 56 16 3 1 0 1 1 0 0 1 2 1 0 3 3 5 9 15 4 1 1 1 1 4 1 1 1 0 0 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 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: 91 91 s 1H \| 78 78 q 1H J 16 \| 71 71 m 1H \| 49 49 p 1H J 15 \| 47 47 dq 1H J 10 19 \| 34 33 q 2H J 12 \| 23 23 s 3H \| 22 22 d 3H J 15 \| 18 18 t 3H J 12	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](NC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(Cl)cc3s1)n2C)C(=O)N1CCN(C)CC1	ir: 2 4 5 5 3 4 2 3 2 3 3 3 2 2 3 3 1 10 5 9 12 10 15 7 6 3 4 5 11 7 10 9 7 8 8 7 14 4 3 9 10 100 12 9 5 0 5 5 1 2 2 3 3 4 42 10 6 2 3 4 2 2 3 2 2 1 4 7 3 7 2 1 2 2 2 3 1 2 14 8 8 3 3 2 4 2 4 2 1 1 1 1 1 1 2 2 4 2 3 9 2 2 2 2 4 2 3 2 3 1 3 4 2 3 5 2 1 3 4 4 5 3 7 6 7 9 11 11 4 2 5 3 3 4 22 7 7 3 3 2 19 5 4 47 5 4 5 26 6 17 3 8 7 9 16 5 2 4 2 1 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 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 1 3 2 2 2 2 6 3 8 44 9 5 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 2 3 3 21 48 21 11 3 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; 1HNMR: 80 79 d 1H J 21 \| 79 78 d 1H J 86 \| 78 77 dd 1H J 21 83 \| 77 76 d 1H J 77 \| 76 76 d 1H J 22 \| 73 73 m 2H \| 67 66 s 1H \| 44 43 dq 1H J 66 88 \| 38 37 s 2H \| 35 34 m 4H \| 25 25 s 2H \| 25 24 t 4H J 48 \| 14 13 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCCc1cccc(CCCCCCOS(C)(=O)=O)c1CCC(=O)OC	ir: 22 16 14 47 17 6 7 7 7 9 7 5 4 1 3 3 1 2 1 4 1 1 2 3 3 5 2 3 2 1 1 1 1 3 8 7 6 3 4 5 11 7 8 6 6 13 8 11 14 5 9 2 3 2 1 2 2 5 6 9 2 2 5 14 7 4 6 9 13 7 7 11 25 15 12 5 4 2 1 2 1 1 1 1 1 5 16 45 70 24 9 6 4 5 3 3 5 8 6 19 29 40 17 8 1 5 6 8 11 5 6 7 14 7 11 14 2 16 17 14 11 16 8 9 6 4 9 6 3 6 5 15 5 2 6 3 2 5 4 7 8 12 11 30 100 18 5 5 3 2 1 1 1 1 1 1 2 7 3 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 1 0 1 1 1 1 0 1 2 3 1 2 3 13 7 8 15 6 4 3 5 5 38 30 24 24 23 10 5 4 3 3 1 1 2 1 1 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 69 69 m 2H \| 69 68 m 1H \| 41 40 t 2H J 68 \| 37 36 d 6H J 13 \| 30 30 s 2H \| 30 29 t 2H J 88 \| 27 26 m 6H \| 23 22 t 2H J 85 \| 17 15 m 9H \| 15 13 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccccc1-c1nncs1	ir: 11 9 9 10 10 9 10 9 9 10 11 9 10 9 10 11 9 10 9 11 11 10 9 11 11 8 7 12 11 21 13 12 14 30 16 12 8 11 12 21 16 37 25 32 38 26 34 10 12 12 9 9 10 9 10 10 10 12 9 9 10 9 9 10 10 9 10 10 9 10 9 9 10 17 9 9 9 16 10 9 9 8 9 9 8 20 11 27 18 11 8 8 8 9 26 10 11 10 8 8 11 11 9 8 8 8 8 8 8 8 8 8 8 10 8 9 9 8 8 8 9 10 10 9 8 8 8 9 8 8 8 8 8 9 8 8 8 15 9 8 8 9 9 8 8 9 10 7 7 72 7 14 19 22 12 15 68 9 9 11 22 14 10 11 9 7 8 9 8 7 8 9 8 7 8 9 8 8 8 9 8 7 8 9 8 8 8 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 8 8 10 10 12 18 16 9 10 9 8 8 8 9 9 9 9 8 8 8 9 9 13 58 13 9 9 8 9 9 8 9 11 12 0 100 11 8 11 9 7 8 9 9 8 8 9 9 7 8 9 8 8 8 10 8 8 8 9 8 7 8 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8; 1HNMR: 91 91 s 1H \| 78 78 dd 1H J 12 82 \| 71 70 m 2H \| 70 69 td 1H J 13 75 \| 57 57 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC[C@H](C)Oc1cc(Oc2ccc3c(c2)OCCCS3(=O)=O)cc(C(=O)O)c1	ir: 2 3 3 4 4 5 7 12 10 7 5 5 7 4 5 7 6 5 3 5 0 12 16 9 3 4 3 3 3 2 4 17 4 7 3 3 4 5 2 2 2 1 7 5 2 1 2 1 1 2 2 1 3 2 17 5 6 2 3 6 2 3 2 1 10 11 44 49 34 11 10 10 3 2 2 4 2 8 100 5 6 58 11 19 15 3 2 2 4 2 1 2 1 2 1 2 2 5 1 2 2 4 2 2 3 2 8 18 6 3 19 2 2 6 2 10 9 10 7 7 7 4 4 5 5 3 8 7 2 6 3 2 1 1 1 1 1 1 2 1 1 3 3 1 1 60 10 2 2 24 1 3 6 2 1 2 2 0 1 2 4 18 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 3 7 14 4 1 2 3 2 2 2 8 19 2 6 63 17 7 5 2 2 2 1 1 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; 1HNMR: 79 79 d 1H J 96 \| 75 74 t 1H J 22 \| 73 73 t 1H J 22 \| 70 69 dd 1H J 23 96 \| 67 67 d 1H J 23 \| 66 65 t 1H J 23 \| 46 45 qt 1H J 42 62 \| 42 41 t 2H J 75 \| 36 35 dd 1H J 44 115 \| 34 33 m 6H \| 23 22 tt 2H J 74 106 \| 14 13 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1cc(Cl)c(C(=O)c2c[nH]c3cnc(NC(=O)C4CC4)cc23)c(Cl)c1	ir: 2 4 10 10 11 12 9 4 1 5 7 6 3 7 3 5 2 15 16 6 11 29 22 19 7 15 48 27 7 11 21 18 10 6 7 14 14 40 100 60 76 40 16 16 7 3 7 4 9 5 3 1 4 6 4 2 7 9 7 2 4 12 3 8 7 16 23 87 36 23 4 2 3 5 4 14 6 3 2 2 3 4 3 16 9 16 4 5 10 10 5 1 3 3 2 17 14 5 8 4 8 28 14 4 3 3 2 3 41 5 0 2 4 7 0 15 6 3 1 2 5 4 2 7 22 17 5 3 4 4 5 7 17 5 2 19 2 3 5 6 12 54 36 89 59 20 85 48 19 49 76 29 8 4 7 40 30 14 4 4 4 4 2 13 24 1 2 4 2 0 2 3 2 0 2 4 2 1 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 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 3 2 1 1 3 2 1 2 4 2 1 4 6 4 3 6 6 11 45 31 26 22 12 12 3 4 4 2 3 4 4 6 11 5 3 4 2 5 8 8 21 23 73 91 84 45 6 8 4 0 1 4 3 0 1 3 3 1 2 3 2 1 2 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 2 3; 1HNMR: 89 89 s 1H \| 84 84 s 1H \| 81 80 m 3H \| 69 69 q 1H J 50 \| 30 30 d 3H J 51 \| 24 24 p 1H J 55 \| 12 11 m 2H \| 10 9 m 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)N1CCC(Oc2ccc(CC#N)c(OC(F)(F)F)c2)CC1	ir: 6 4 6 8 8 21 14 9 9 13 42 30 9 7 4 4 5 5 7 2 1 5 3 1 1 2 3 1 1 3 3 1 2 2 2 0 1 3 2 1 1 3 2 1 1 2 2 1 2 2 1 1 5 14 24 3 10 8 6 3 3 10 8 6 3 4 4 16 18 7 2 1 2 4 5 0 2 3 1 0 2 2 0 0 2 4 4 9 3 3 1 1 6 6 4 37 11 11 33 85 35 31 8 13 14 8 7 6 10 5 14 6 4 4 11 16 11 11 16 11 25 22 24 16 16 4 1 12 15 6 7 13 4 4 3 6 10 5 3 3 3 2 4 9 5 0 1 3 3 14 11 100 8 2 18 6 2 1 1 2 2 1 5 8 5 1 2 2 1 1 1 2 1 0 1 2 1 0 2 37 2 2 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 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 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 0 1 2 2 1 2 3 3 2 4 6 4 1 4 7 5 2 5 8 9 10 45 27 13 31 46 7 5 5 2 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 2 1 1 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 1 1 1 1 1 1 1 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 0 1 2 1 0 1 2; 1HNMR: 72 72 m 1H \| 67 66 m 1H \| 66 66 s 1H \| 45 45 p 1H J 45 \| 39 39 d 2H J 8 \| 37 36 ddd 2H J 59 86 125 \| 34 33 ddd 2H J 59 86 125 \| 23 22 dddd 2H J 45 59 86 131 \| 21 20 dddd 2H J 46 60 86 131 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC(=O)c2ncccc21	ir: 19 13 11 53 31 100 10 17 25 34 74 22 27 33 10 19 20 13 10 20 96 29 6 16 15 20 48 20 19 2 3 16 16 4 11 22 19 19 34 31 66 8 7 16 14 3 7 16 10 0 7 18 9 0 9 18 10 2 18 22 11 33 42 55 17 6 11 18 8 4 11 16 8 7 46 17 7 3 13 16 8 6 14 15 7 12 22 14 7 6 19 14 4 6 19 25 15 13 19 13 11 14 23 13 3 8 16 18 23 14 19 13 2 64 70 16 7 14 22 23 18 18 7 77 5 19 29 79 55 29 43 22 11 14 19 6 33 16 16 9 8 14 15 5 83 19 12 6 8 62 63 58 9 16 12 8 13 16 12 27 24 18 11 2 7 17 10 1 8 17 9 0 9 17 8 1 9 16 8 2 10 16 7 2 10 15 7 3 11 14 6 3 11 13 5 4 12 13 5 5 12 12 4 5 13 12 4 6 14 11 3 6 14 10 3 7 15 10 2 7 15 9 2 8 15 9 1 8 16 8 2 9 15 8 2 9 15 7 3 10 15 7 3 10 14 6 3 11 13 6 4 11 13 6 5 12 12 5 5 13 12 5 6 14 11 4 6 14 12 4 10 18 16 4 9 21 16 5 10 21 11 7 13 22 70 31 23 19 58 32 18 16 9 3 10 14 7 4 10 14 8 5 10 13 7 5 11 13 6 5 11 12 6 5 12 12 5 6 12 11 5 6 13 11 4 7 13 10 4 7 13 10 3 8 14 9 3 8 14 9 3 8 14 8 3 9 14 8 3 9 14 8 4 10 13 7 4 10 13 7 4 10 12 6 5 11 12 6 5 11 11 6 6 11 11 5 6 12 10 5 7 12 10 5 7 13 10 4 7 13 9 4 8 13 9 4 8 14 9 3; 1HNMR: 86 85 dd 1H J 21 45 \| 77 77 dd 1H J 22 75 \| 74 73 dd 1H J 44 75 \| 47 47 s 2H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(C(=O)O)N(C(=O)OC(C)(C)C)C1	ir: 1 1 3 2 6 6 3 3 1 4 12 6 5 12 7 6 5 9 21 12 24 25 11 4 1 2 2 1 1 1 2 1 1 1 1 0 1 1 2 1 2 1 1 1 1 1 1 0 1 1 1 0 1 2 2 1 1 2 2 4 1 2 2 4 3 1 1 0 1 1 1 1 1 2 2 5 6 8 28 16 4 3 2 3 3 3 1 1 2 2 4 5 2 2 0 2 2 2 0 1 1 2 1 1 1 1 1 4 13 10 1 1 2 1 8 10 1 2 1 3 2 1 1 3 5 2 2 2 5 8 13 9 3 4 2 2 1 0 0 1 1 1 3 6 2 0 1 1 1 1 11 23 3 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 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 5 3 3 11 3 1 0 1 1 1 1 1 1 1 1 64 100 48 1 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 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 45 44 t 1H J 54 \| 37 36 d 1H J 121 \| 35 35 d 1H J 120 \| 22 21 dd 1H J 55 125 \| 19 18 dd 1H J 55 125 \| 15 14 s 9H \| 11 10 s 3H \| 10 9 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2[nH]c(-c3ncsc3NC3CCCC3)nc2c1	ir: 2 3 3 15 19 11 10 14 28 10 20 16 16 36 44 64 23 48 22 36 18 11 13 9 16 12 15 10 33 24 8 6 3 4 5 10 15 38 40 11 9 15 52 12 6 5 3 3 7 4 3 3 9 14 5 8 5 9 8 0 5 13 20 12 7 7 5 10 6 2 5 4 6 6 7 17 20 14 16 2 2 2 2 2 2 1 2 1 1 2 3 2 3 2 1 2 7 17 8 20 57 19 10 2 4 5 29 27 19 14 6 6 9 6 8 3 7 4 4 7 6 27 39 51 10 9 24 13 12 25 10 6 6 3 3 37 62 11 4 1 2 4 2 2 3 2 4 20 12 3 2 1 3 63 42 4 5 86 42 1 3 3 3 6 3 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 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 3 2 2 2 3 4 5 3 4 3 4 3 3 33 17 7 19 48 14 5 7 4 3 1 2 2 1 1 2 2 2 2 2 3 4 7 6 6 7 14 100 81 60 34 34 14 8 3 3 3 4 2 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 s 1H \| 74 73 m 2H \| 73 72 dd 1H J 23 76 \| 72 71 d 1H J 66 \| 41 40 dt 1H J 31 67 \| 24 24 s 3H \| 20 19 m 3H \| 18 16 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc2c(Nc3cc4cn[nH]c4cn3)ncnc2[nH]1	ir: 1 1 2 5 2 2 1 2 2 3 4 9 11 19 16 10 5 2 1 2 2 5 23 36 15 22 7 3 4 4 21 4 3 4 5 10 10 7 6 34 45 10 12 21 11 5 2 2 2 12 1 2 5 0 1 2 1 1 1 2 2 2 2 2 2 2 2 5 3 3 1 1 1 1 1 1 1 3 100 9 2 1 4 11 2 15 6 3 2 3 4 2 1 1 7 5 1 1 20 1 5 8 1 2 6 8 1 1 2 2 1 30 8 11 19 12 0 3 2 1 1 2 3 9 6 5 3 2 1 2 1 2 3 1 1 1 1 1 1 2 2 5 12 1 12 42 3 2 20 2 5 35 18 2 4 32 41 36 36 5 6 19 2 1 3 4 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 6 4 13 6 2 3 3 3 1 0 28 91 6 3 1 1 2 3 2 1 3 5 4 3 4 8 16 64 57 25 14 6 3 5 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; 1HNMR: 99 99 s 1H \| 85 85 s 1H \| 84 84 s 1H \| 81 81 s 1H \| 81 81 d 1H J 18 \| 75 75 d 1H J 18	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)N2CC3CN(c4ncc(F)c(C)n4)CC3C2)c(-n2nccn2)c1	ir: 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 2 2 3 5 4 2 2 2 2 2 2 2 2 2 3 21 11 3 2 3 2 2 2 2 3 2 2 2 2 2 4 4 6 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 2 2 3 3 2 2 2 2 4 3 3 3 2 2 2 3 2 2 2 2 2 2 3 3 2 3 3 2 2 3 4 3 2 2 2 2 2 2 2 3 2 3 7 6 1 2 2 2 3 5 3 12 0 100 0 6 4 2 2 3 2 4 5 17 2 1 2 2 2 3 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 8 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 81 81 s 2H \| 80 80 d 1H J 141 \| 78 77 d 1H J 83 \| 75 74 d 1H J 22 \| 70 69 dd 1H J 22 82 \| 41 40 m 2H \| 39 39 m 2H \| 39 38 m 2H \| 38 38 s 3H \| 37 36 m 2H \| 26 26 ddp 2H J 11 20 29 \| 25 24 d 3H J 33	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(OC)c1C1CCCCC(=O)N1Cc1ccnc(-c2ccccc2)c1	ir: 5 4 6 2 4 6 5 3 9 3 8 5 6 4 4 5 18 3 3 7 3 6 6 16 13 13 3 2 4 5 12 17 42 34 15 8 7 5 6 9 7 17 20 3 2 4 11 22 14 6 3 8 6 4 6 6 4 6 3 3 2 3 7 5 6 5 15 46 9 17 5 3 10 9 13 5 4 7 8 8 5 4 4 6 3 3 1 10 10 3 4 12 12 4 4 7 5 8 6 5 6 4 5 2 3 3 1 3 5 3 1 5 5 8 3 2 7 5 7 9 9 10 3 11 12 7 17 8 10 3 5 6 10 15 3 7 7 4 35 11 13 28 4 10 18 4 21 49 83 8 3 2 3 2 2 1 4 9 34 17 2 2 5 26 6 3 2 2 2 1 1 2 1 0 1 2 1 0 2 1 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 1 0 0 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 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 0 0 1 1 1 0 1 1 0 0 2 1 0 1 2 1 0 1 2 2 0 2 4 3 6 6 5 3 2 4 7 5 16 7 26 37 100 47 28 23 8 5 3 4 3 2 3 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 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 d 1H J 44 \| 80 79 m 2H \| 77 77 dt 1H J 10 20 \| 75 74 m 2H \| 74 73 m 1H \| 72 71 t 1H J 84 \| 71 71 ddd 1H J 10 20 46 \| 67 66 d 2H J 84 \| 50 49 dt 1H J 9 123 \| 48 48 t 1H J 73 \| 48 47 dt 1H J 9 124 \| 39 38 s 5H \| 25 23 m 2H \| 22 20 m 1H \| 19 18 m 1H \| 18 17 m 1H \| 18 17 m 2H \| 17 15 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC(CC(=O)O)c1cccc(Cl)c1Cl	ir: 2 2 3 3 3 1 2 2 1 4 11 4 3 14 8 4 0 6 5 8 100 14 5 10 6 5 3 2 4 19 27 4 1 3 1 2 16 6 11 3 2 1 1 2 2 2 6 22 7 1 2 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 0 2 1 1 1 3 6 6 3 42 16 2 3 5 3 3 6 3 2 3 2 2 4 2 1 2 2 2 4 7 4 1 1 2 2 2 1 2 2 1 2 7 7 4 2 2 1 0 2 4 4 5 3 3 5 4 4 2 3 2 4 7 7 7 1 3 1 3 4 4 15 9 7 7 25 29 14 44 6 9 12 3 1 1 1 1 12 1 3 1 1 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 2 1 1 1 1 1 2 3 3 2 5 10 8 5 18 5 6 2 2 1 2 1 1 12 42 2 2 2 1 1 1 1 1 1 1 2 2 6 49 37 11 5 3 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 74 73 m 2H \| 73 72 dd 1H J 75 83 \| 63 62 d 1H J 81 \| 53 53 m 1H \| 30 29 dd 1H J 76 169 \| 28 28 dd 1H J 76 169 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCCS(C)(=O)=O	ir: 0 5 10 36 17 33 3 7 6 4 6 3 3 4 2 3 7 4 5 8 6 5 3 2 1 2 2 1 1 1 2 2 1 1 1 2 2 3 5 9 10 19 8 1 2 4 2 0 1 2 2 1 2 3 2 4 5 13 18 6 7 4 2 1 2 4 3 5 12 51 50 6 8 7 12 11 12 19 32 68 10 4 4 3 5 8 44 18 10 4 18 11 4 4 2 1 3 3 1 4 5 13 30 32 65 53 50 15 9 6 7 5 7 4 4 4 13 9 7 24 23 10 26 9 2 4 3 9 13 8 3 2 2 2 2 2 2 2 2 1 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 3 5 6 1 2 1 1 3 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 2 2 2 1 1 2 1 1 2 3 2 2 4 5 3 2 8 10 17 23 8 8 4 3 5 5 34 100 54 45 15 21 8 3 2 1 2 3 2 1 2 3 3 2 4 3 6 50 88 42 4 2 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 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 2; 1HNMR: 33 32 t 2H J 92 \| 31 30 s 3H \| 28 27 td 2H J 25 92 \| 21 21 t 1H J 25	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC(CN)CC(=O)O	ir: 2 1 1 1 1 1 1 1 2 2 3 4 11 3 2 2 1 2 3 6 11 11 18 5 7 2 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 5 3 3 5 20 26 6 9 4 1 2 3 1 1 1 1 2 6 4 6 2 1 1 1 1 2 22 19 1 1 3 2 3 11 27 23 3 11 3 1 1 2 1 1 1 1 1 1 1 2 2 1 2 2 1 2 2 1 1 1 1 1 1 2 2 4 6 2 2 1 1 1 1 1 2 3 1 3 8 2 2 3 3 2 0 2 3 3 22 18 7 4 6 4 2 2 3 4 6 24 9 2 3 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 0 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 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 2 1 1 2 1 2 2 3 1 1 3 2 1 1 1 1 1 0 1 2 1 0 67 68 3 5 5 9 17 14 3 1 1 2 1 100 49 0 1 1 1 1 1 1 0 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 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; 1HNMR: 29 29 dtd 1H J 47 62 122 \| 27 26 dtd 1H J 47 61 119 \| 25 24 dd 1H J 77 167 \| 24 24 t 2H J 61 \| 23 22 dd 1H J 78 168 \| 21 20 pt 1H J 46 77 \| 17 15 dh 1H J 71 142 \| 15 14 dt 1H J 76 137 \| 12 11 dt 1H J 75 137 \| 10 9 d 3H J 71 \| 9 8 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(CCCC#N)C1	ir: 2 5 0 14 3 4 1 2 4 2 1 3 6 4 1 2 1 2 2 1 1 3 3 17 3 1 1 2 2 3 6 28 7 2 2 5 2 1 1 1 3 11 3 5 3 1 1 5 1 2 1 1 3 1 1 1 1 2 2 1 2 1 1 1 5 2 1 1 5 3 1 3 5 13 1 1 1 3 15 5 1 2 1 1 7 3 9 3 16 43 12 7 8 10 4 2 2 1 4 2 4 3 11 5 6 2 2 2 3 5 4 4 2 3 3 1 1 2 2 2 2 10 2 2 0 1 2 1 2 2 1 2 6 2 9 2 1 1 1 0 0 2 4 1 1 1 1 3 1 3 0 1 1 3 19 1 1 1 1 1 1 2 1 1 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 7 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 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 1 2 3 2 1 2 1 2 2 5 3 3 11 2 2 2 2 18 15 5 2 2 3 100 17 2 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 s 1H \| 76 76 m 2H \| 48 47 qd 1H J 47 59 \| 47 46 d 1H J 46 \| 46 45 dddd 1H J 7 17 35 44 \| 31 30 m 1H \| 30 29 ddd 1H J 36 54 111 \| 29 28 dd 1H J 8 101 \| 28 27 dddd 1H J 18 35 55 112 \| 26 25 m 2H \| 24 24 t 2H J 63 \| 23 22 ddt 1H J 36 55 114 \| 20 19 dddd 1H J 16 37 54 112 \| 19 18 m 2H \| 15 15 d 3H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCC(=O)c1ccc(Br)cc1	ir: 23 17 13 12 6 6 11 7 9 19 14 16 10 10 4 4 3 2 3 2 14 12 13 13 7 14 7 39 30 65 68 100 20 79 38 17 18 15 19 4 3 2 2 6 2 0 1 3 2 3 8 56 41 7 57 7 18 9 7 3 4 5 5 1 1 1 3 2 4 49 4 1 2 3 2 0 1 1 0 0 1 2 0 3 11 1 6 13 1 1 1 1 1 2 3 3 9 19 7 8 1 1 1 2 2 1 3 3 8 3 4 3 4 3 3 1 16 9 15 23 25 41 35 15 10 59 89 26 24 10 25 7 3 4 2 2 2 1 5 10 55 57 12 7 15 26 69 31 25 65 12 9 4 3 2 2 3 1 1 1 1 1 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 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 2 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 0 1 1 1 2 2 3 3 2 2 2 3 3 2 1 2 6 13 34 49 23 66 100 37 10 15 6 4 7 5 2 1 1 1 3 1 2 1 1 1 1 1 2 5 5 29 65 94 22 8 5 3 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H \| 77 76 m 2H \| 64 64 t 1H J 59 \| 48 47 d 2H J 59 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
BrC1=CN(Br)CC=C1	ir: 4 4 4 3 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 3 4 3 1 0 0 4 5 3 2 3 3 2 2 3 3 2 2 4 4 7 10 5 3 2 2 4 3 1 2 4 3 1 2 4 3 12 3 4 3 2 2 3 3 2 3 5 5 8 4 14 3 1 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 17 15 5 4 3 2 2 3 3 2 2 3 3 2 3 4 4 3 5 14 8 3 3 4 4 4 3 3 2 2 3 3 2 2 3 3 2 7 9 2 3 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 2 3 3 3 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 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 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 3 3 3 3 2 3 3 2 2 5 3 3 9 100 73 14 10 2 3 3 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 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; 1HNMR: 74 74 dt 1H J 9 18 \| 72 71 ddt 1H J 9 17 75 \| 61 61 dt 1H J 38 76 \| 41 41 dt 2H J 9 38	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncc2c3ccnc(F)c3n(CC3CC3)c2n1	ir: 4 6 7 10 7 4 5 6 5 4 6 6 4 4 5 3 6 8 9 2 4 3 8 3 2 2 2 3 2 3 4 3 4 4 25 8 4 2 2 3 7 4 3 3 3 4 3 2 4 5 5 3 14 25 19 27 13 4 11 9 5 2 4 5 4 2 3 4 5 3 4 3 8 8 4 2 2 2 2 2 2 2 3 4 6 3 3 3 2 1 2 4 1 3 14 2 3 5 3 2 2 2 3 2 1 2 9 4 1 2 3 2 2 2 3 4 4 3 3 3 8 7 6 8 3 4 3 4 2 2 3 2 2 3 3 9 9 3 3 3 6 4 13 4 6 7 100 50 28 17 14 7 8 7 4 4 21 4 3 5 10 14 4 0 2 4 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 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 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 2 2 2 2 1 2 2 2 2 2 2 2 1 2 3 2 2 3 3 5 3 4 3 7 4 4 4 3 2 2 3 2 2 2 2 2 3 3 3 5 21 17 6 2 3 2 3 2 2 2 2 3 11 37 11 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 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; 1HNMR: 91 91 s 1H \| 85 84 t 1H J 50 \| 80 80 d 1H J 53 \| 69 69 s 2H \| 43 42 d 2H J 51 \| 14 13 hept 1H J 56 \| 7 6 m 2H \| 4 3 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CN[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ir: 17 17 1 14 20 20 4 12 7 13 24 21 40 9 7 4 2 3 9 2 2 6 12 2 3 1 1 2 2 2 1 3 2 3 2 3 3 2 4 6 8 22 24 18 21 48 53 17 10 31 13 8 3 5 7 3 5 7 27 11 5 6 4 12 9 12 12 4 4 10 8 2 4 4 3 4 11 11 8 7 7 3 2 2 2 5 4 2 1 2 4 3 3 3 4 2 4 5 15 3 1 6 6 9 16 25 23 4 23 38 67 52 24 15 12 7 6 16 16 40 37 30 18 14 7 19 7 18 24 20 17 31 12 8 10 8 44 42 8 3 5 3 2 3 5 3 2 5 6 0 13 100 1 8 5 1 1 4 2 0 1 3 2 0 2 3 2 0 1 3 2 0 1 3 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 3 4 3 6 4 4 4 5 6 4 4 7 10 8 6 10 27 67 24 10 4 3 1 3 3 2 1 2 3 2 1 2 4 3 2 3 5 3 3 50 81 33 7 3 3 2 2 2 1 2 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 37 36 dd 1H J 16 119 \| 35 34 ddd 1H J 35 60 121 \| 34 33 m 2H \| 31 31 ddddd 1H J 16 32 47 59 93 \| 29 29 dt 1H J 57 86 \| 27 26 ddd 1H J 46 57 123 \| 26 25 ddd 1H J 47 57 124 \| 19 16 m 6H \| 15 14 s 7H \| 9 9 dd 6H J 64 139	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(-c2nn3c(c2-c2ccc4nccnc4c2)CCC3)nc1	ir: 1 1 1 2 1 3 2 1 1 1 1 5 1 1 1 2 1 7 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 2 3 2 5 3 1 1 3 3 2 1 1 3 2 0 12 13 77 11 3 5 22 7 2 1 14 7 2 5 8 7 4 10 4 1 2 1 1 2 1 1 1 7 2 1 2 7 5 2 4 3 11 3 2 3 3 3 6 13 1 3 2 1 3 18 1 3 4 2 1 12 9 6 6 14 7 5 8 2 2 4 3 4 4 4 4 3 4 2 2 1 1 1 1 3 2 1 3 4 1 2 3 4 2 2 2 2 12 6 2 1 5 6 1 0 3 30 1 2 9 2 7 5 2 1 1 1 1 1 3 1 3 1 1 1 1 1 1 1 1 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 2 2 3 2 4 3 5 5 5 7 9 3 7 13 6 58 100 35 6 7 5 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 93 93 d 1H J 35 \| 89 88 d 1H J 33 \| 85 85 dd 1H J 17 41 \| 83 82 d 1H J 84 \| 82 82 d 1H J 22 \| 80 79 m 2H \| 78 77 ddd 1H J 17 71 82 \| 73 73 ddd 1H J 13 40 71 \| 44 43 dd 2H J 33 44 \| 30 30 t 2H J 72 \| 24 23 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1nc2c(c(Nc3cccc(CN4CCOCC4)c3)n1)SCC2	ir: 1 1 1 1 1 1 3 2 2 3 3 5 3 3 3 3 2 2 1 3 8 2 1 2 1 1 2 3 7 11 7 8 7 1 0 1 2 0 1 2 3 6 10 3 2 0 9 2 20 33 15 2 2 2 2 1 3 11 3 1 2 2 1 1 4 9 6 1 4 4 2 2 2 7 1 1 1 1 1 1 2 5 2 1 8 2 1 1 1 2 6 1 1 1 1 2 1 2 3 5 4 2 2 1 3 14 9 1 1 1 4 1 0 2 1 2 6 4 0 1 1 1 2 4 2 3 3 1 3 1 1 1 1 2 2 1 1 4 1 1 1 11 6 2 1 1 2 3 7 2 2 37 7 1 1 2 3 37 3 2 1 3 1 100 8 5 1 0 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 3 1 1 0 1 1 1 3 8 4 2 17 9 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 5 10 53 31 22 4 2 2 3 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 1 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 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H \| 75 75 ddd 1H J 11 21 79 \| 73 72 t 1H J 80 \| 72 71 tt 1H J 9 22 \| 71 70 ddq 1H J 10 21 80 \| 37 37 m 4H \| 36 36 d 2H J 10 \| 35 34 m 2H \| 32 32 m 2H \| 25 25 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)c1ccc(C(=O)c2ccccn2)cc1	ir: 5 4 2 8 8 6 2 5 9 5 1 4 4 2 2 4 4 4 2 6 4 3 2 4 10 4 4 9 13 52 6 9 5 5 7 4 54 82 17 5 4 6 13 13 4 3 3 5 5 1 5 6 6 22 23 36 56 27 18 15 5 3 4 6 15 4 4 4 2 1 40 3 7 6 5 10 13 6 7 11 6 10 9 9 13 17 9 7 9 8 14 5 1 2 5 6 4 8 7 8 7 9 3 6 10 10 6 4 2 3 5 3 5 4 5 3 7 7 6 11 9 11 16 5 8 26 12 8 7 11 100 25 9 8 7 13 21 5 4 3 3 2 2 5 9 20 3 3 4 8 13 15 22 11 57 15 6 9 29 0 2 6 4 5 12 5 3 1 3 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 2 3 2 1 1 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 2 2 1 2 2 1 1 2 3 1 2 3 2 1 2 3 3 2 3 3 3 1 2 3 2 3 3 4 4 6 5 9 24 18 42 74 79 21 8 3 6 4 4 3 4 3 3 3 2 2 2 3 2 1 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 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 2 1 2 2 2 1 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; 1HNMR: 87 87 dd 1H J 16 42 \| 79 78 m 4H \| 74 74 ddd 1H J 16 42 70 \| 69 68 m 2H \| 33 32 q 4H J 70 \| 12 12 t 6H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)[C@H]1CCNC1	ir: 8 2 1 2 4 31 14 4 4 2 3 25 15 19 8 7 11 14 5 2 2 2 1 2 1 2 3 1 2 3 2 5 5 12 12 6 8 24 14 14 8 8 15 17 8 9 5 2 3 1 1 3 16 8 4 6 5 14 11 10 10 7 5 6 8 16 13 8 11 11 28 31 5 3 7 5 1 0 3 2 1 1 2 3 0 1 32 100 10 10 10 2 5 3 2 3 2 3 7 22 16 13 2 3 26 25 18 14 9 8 4 8 15 20 36 47 13 4 19 14 17 25 18 16 13 9 7 3 6 1 1 2 2 1 1 1 2 1 1 2 2 1 1 1 1 1 0 1 2 1 0 1 1 0 0 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 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 1 1 1 0 1 1 1 1 1 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 1 2 5 12 1 1 2 3 1 3 2 2 4 11 6 15 57 31 45 10 5 2 1 1 1 1 2 1 2 1 1 1 3 3 1 2 3 3 4 92 15 6 3 2 1 2 2 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 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: 35 34 ddtd 1H J 23 40 58 76 \| 32 31 m 1H \| 31 30 m 1H \| 30 30 d 3H J 15 \| 30 29 m 2H \| 30 29 m 1H \| 22 21 dddd 1H J 28 46 76 138 \| 20 19 dddd 1H J 30 49 60 138	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccnc1-c1cccs1	ir: 8 5 8 17 9 4 3 6 8 5 5 6 8 4 2 6 8 5 4 9 11 7 8 15 9 6 4 26 11 6 4 6 8 7 3 7 14 7 32 40 37 20 8 12 7 5 7 9 7 5 12 14 7 2 4 7 5 4 7 48 32 9 17 26 16 3 5 8 4 2 28 40 10 4 5 6 4 3 5 5 4 5 7 4 5 6 21 60 5 2 9 9 4 4 8 6 2 3 7 5 1 5 8 7 2 16 14 17 2 5 9 5 0 4 8 4 0 5 9 4 0 5 9 3 0 7 13 39 100 14 6 5 4 6 6 4 6 14 15 48 58 10 8 3 7 9 9 3 4 6 5 3 8 13 24 5 8 8 5 2 4 6 5 2 4 7 4 2 4 7 4 2 4 7 4 2 4 6 4 2 4 3 10 11 5 6 3 2 5 6 3 2 5 6 3 3 5 6 3 3 6 5 3 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 4 6 5 2 4 7 4 2 4 7 4 2 4 7 4 2 4 6 4 2 5 6 4 2 5 6 3 2 5 6 3 3 5 6 3 3 6 6 3 3 6 5 3 3 6 5 3 3 6 5 2 4 6 5 2 4 6 5 3 5 7 5 4 6 35 45 18 12 20 27 12 7 8 4 2 5 6 4 2 5 6 4 2 5 6 3 3 5 6 3 3 5 5 3 3 5 5 3 3 6 5 3 3 6 5 3 3 6 5 2 4 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 5 6 4 3 5 6 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 4 6 5 3 4 6 4 2 4 6 4 2 4 6 4 2; 1HNMR: 88 88 dd 1H J 20 33 \| 80 80 dd 1H J 20 64 \| 75 75 m 3H \| 72 72 dd 1H J 49 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC1=C(OCc2ccccc2)C=CC(F)(CCl)C1	ir: 1 1 1 1 0 1 3 2 1 2 2 5 2 1 1 3 0 1 0 0 1 3 1 0 0 1 1 2 5 7 14 23 4 1 1 3 6 18 3 11 86 52 28 3 2 4 9 4 3 7 1 0 1 1 0 1 1 2 1 1 1 0 2 2 2 4 33 6 6 27 2 0 2 2 1 0 2 2 4 3 1 5 4 1 1 1 2 3 7 19 3 3 1 1 1 1 4 9 3 1 3 1 0 0 1 1 0 1 1 1 1 2 3 2 1 1 1 1 2 4 6 3 3 4 2 2 1 2 1 1 3 4 10 15 32 100 14 10 3 21 46 12 12 81 7 3 5 4 2 1 2 5 2 2 1 1 2 21 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 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 6 4 5 2 1 1 4 3 3 29 61 71 72 36 23 11 5 2 3 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 1 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 0 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 m 5H \| 62 61 m 1H \| 61 60 dddd 1H J 10 19 71 89 \| 51 51 s 2H \| 39 38 ddd 1H J 9 122 131 \| 37 36 ddd 1H J 8 121 130 \| 27 26 tdt 1H J 10 135 190 \| 25 23 tdt 1H J 11 135 191	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(CC(=O)O)NC(=O)c1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1	ir: 1 1 1 2 1 2 4 4 2 2 1 4 6 3 5 3 5 4 4 6 27 35 16 3 2 4 4 1 2 1 1 8 14 2 3 5 6 4 3 4 12 11 27 24 19 1 1 5 2 0 1 2 2 1 3 6 2 1 1 1 1 2 3 3 3 4 1 3 5 4 1 1 1 2 1 2 2 3 34 35 3 2 2 4 3 5 3 2 3 4 2 1 1 1 5 1 1 1 3 1 1 2 2 1 1 1 1 1 1 1 1 5 2 1 2 1 1 1 2 3 4 11 2 1 1 3 5 1 1 2 3 3 3 2 5 6 2 8 1 1 2 2 6 100 7 10 16 22 8 2 5 6 3 1 1 1 1 1 2 5 1 1 1 1 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 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 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 0 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 2 2 5 6 6 15 16 12 10 3 3 2 1 2 3 17 14 20 0 1 1 1 1 1 1 1 2 2 3 12 13 7 5 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 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 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: 79 78 m 4H \| 75 74 d 1H J 70 \| 74 74 s 1H \| 73 72 m 6H \| 27 26 s 2H \| 17 16 m 2H \| 15 15 s 5H \| 15 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)c1ccccc1	ir: 3 2 3 4 6 22 6 4 1 6 2 3 2 2 3 8 5 5 7 8 4 5 4 5 22 13 3 2 2 3 9 7 6 9 8 29 39 100 48 24 5 5 4 12 5 18 41 18 11 12 10 2 8 4 3 9 3 1 1 1 1 1 2 2 1 1 2 4 7 17 4 2 3 6 2 1 2 6 8 4 6 6 6 7 7 9 14 2 1 1 1 1 2 1 6 9 6 4 5 11 1 2 3 18 8 4 8 4 2 2 0 7 3 6 2 1 1 3 3 3 2 5 3 5 19 3 9 6 3 2 5 34 15 7 14 8 3 3 3 10 8 25 64 8 14 12 34 24 17 11 3 4 5 9 14 62 29 13 27 43 4 6 2 2 5 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 2 1 1 1 2 1 1 1 3 3 4 4 10 31 67 21 26 59 7 4 2 3 2 2 3 2 1 1 1 2 2 2 2 2 2 2 4 18 29 14 5 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; 1HNMR: 92 92 s 1H \| 85 85 s 1H \| 84 84 d 1H J 73 \| 81 81 dd 1H J 17 54 \| 80 79 m 2H \| 79 78 t 1H J 22 \| 78 77 m 1H \| 77 77 dd 1H J 16 62 \| 76 74 m 6H \| 73 73 dd 1H J 54 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)c1ccc(C(F)(F)F)cc1O	ir: 5 3 5 12 13 4 3 2 1 2 3 5 3 2 2 2 4 6 5 9 5 10 4 6 7 25 27 47 12 6 10 19 42 22 7 5 2 12 3 1 2 4 12 24 7 4 2 1 1 3 4 0 1 3 1 0 22 19 1 1 1 3 7 1 1 2 2 6 20 5 1 2 3 4 1 0 2 2 2 2 2 4 9 9 28 6 3 2 4 3 2 1 7 10 51 33 7 4 7 12 4 2 9 27 38 9 4 3 1 1 4 3 17 41 2 3 18 4 2 5 5 7 15 20 6 4 12 5 6 4 4 9 3 1 0 1 1 1 1 1 1 1 0 3 10 13 12 2 2 3 2 1 1 11 5 2 2 0 1 1 1 0 2 7 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 0 1 1 1 0 1 1 0 0 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 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 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 2 1 2 4 6 9 5 8 33 41 8 8 31 100 15 14 2 2 2 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 d 1H J 112 \| 77 76 m 1H \| 73 73 dq 1H J 9 20 \| 36 35 s 3H \| 32 31 s 3H	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(N2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)CC1	ir: 7 14 17 6 8 10 12 7 7 6 16 9 9 10 6 4 2 4 2 1 4 1 1 1 1 2 2 0 1 1 2 1 2 2 11 1 2 3 2 12 22 8 14 14 16 26 68 61 11 14 67 23 11 11 5 1 3 8 7 11 11 7 6 2 2 2 1 1 3 6 3 2 1 3 3 3 2 2 1 2 1 1 1 1 1 3 11 4 1 1 1 2 2 2 1 2 10 3 3 1 3 2 1 3 4 3 9 31 7 5 4 9 11 15 6 6 6 7 13 16 13 16 7 29 10 8 4 8 6 8 38 7 4 3 7 5 5 3 14 10 7 5 35 67 25 7 0 4 4 0 25 100 31 38 98 7 3 4 11 4 10 19 3 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 0 1 2 2 1 2 2 4 1 2 3 1 1 4 5 4 10 31 7 15 43 21 61 17 6 1 2 1 2 2 1 2 1 2 4 1 2 2 3 2 2 5 19 15 34 24 13 10 6 2 1 1 1 1 1 1 0 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 dd 1H J 14 78 \| 77 77 dd 1H J 13 70 \| 77 76 dd 1H J 69 78 \| 74 74 d 1H J 68 \| 71 70 d 1H J 68 \| 46 45 p 1H J 34 \| 37 36 ddd 2H J 44 71 115 \| 34 33 ddd 2H J 46 73 117 \| 22 21 dddd 2H J 33 44 74 117 \| 19 19 dddd 2H J 34 46 76 118 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOC(C)c1ccc(C(=O)O)cc1	ir: 1 2 4 1 1 2 1 1 1 2 3 2 1 7 6 2 2 10 23 6 0 54 100 32 4 1 0 2 2 1 2 3 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 7 15 17 0 1 2 2 1 1 4 4 1 2 3 4 4 6 1 2 2 6 6 2 5 9 24 9 2 2 1 1 1 2 4 6 2 2 4 2 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 3 3 2 11 36 37 7 5 4 2 1 1 6 2 2 3 12 8 2 2 2 1 1 2 1 1 2 2 1 1 6 60 50 8 3 1 2 4 3 4 9 4 2 2 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 2 2 2 2 3 4 8 4 22 53 17 4 2 1 2 2 2 3 12 16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 88 88 s 1H \| 79 79 m 2H \| 73 73 m 2H \| 47 47 m 1H \| 36 35 dt 1H J 49 110 \| 35 34 dt 1H J 49 110 \| 17 15 m 2H \| 15 14 d 3H J 59 \| 9 9 t 3H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCOCCOCCOCCO	ir: 10 6 12 6 15 14 4 7 7 6 11 18 27 13 7 11 11 7 10 3 3 2 2 1 2 1 2 2 1 1 0 1 2 1 1 1 0 0 1 1 1 2 2 6 3 17 28 4 2 2 5 6 6 4 5 9 10 5 13 15 20 17 9 6 10 9 8 21 17 2 5 14 11 12 17 86 62 6 6 6 24 12 6 3 5 19 21 36 31 18 11 9 13 12 4 4 6 8 1 1 1 1 2 1 0 0 1 1 0 1 1 4 6 3 1 1 1 2 1 3 5 9 8 7 4 4 3 7 5 10 12 13 43 40 6 9 9 4 2 1 1 0 0 1 1 0 0 0 0 1 1 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 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 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 3 1 2 1 1 1 1 0 1 4 10 2 1 1 1 0 1 2 3 9 100 70 10 4 9 6 17 23 22 30 17 11 3 3 9 30 32 4 2 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 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; 1HNMR: 37 37 dt 2H J 46 64 \| 37 36 m 6H \| 37 36 s 4H \| 35 34 t 2H J 40 \| 31 30 t 1H J 64 \| 29 28 tt 2H J 39 70 \| 17 16 t 2H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Oc2ccc(Oc3ccc(C)c(C)c3)cc2)cc1C	ir: 1 0 0 1 1 3 0 0 0 1 1 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 1 1 0 0 0 0 0 0 1 1 1 4 11 6 24 19 18 1 1 1 2 4 1 0 1 2 2 6 3 6 4 4 3 1 1 0 0 1 0 0 0 0 0 0 1 1 1 3 4 1 1 1 1 3 3 8 2 1 0 1 0 1 1 0 0 0 0 0 0 0 0 2 3 2 1 0 0 1 1 0 1 0 1 1 2 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 4 9 2 1 2 14 7 8 11 7 6 9 7 1 1 0 0 0 1 4 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 1 0 0 1 0 0 1 0 0 1 1 2 2 3 4 1 28 100 36 10 4 3 1 2 2 1 1 0 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; 1HNMR: 72 72 s 3H \| 72 71 dq 2H J 10 85 \| 69 69 m 2H \| 68 68 dd 2H J 21 85 \| 22 22 m 12H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(N2CCN(C(=O)c3ccc(N4CC(C(=O)O)CC4=O)cc3)CC2)c(C)c1	ir: 8 6 2 4 8 4 4 2 4 4 4 5 6 11 9 13 13 10 17 24 43 76 51 62 18 13 8 1 3 6 5 3 6 8 11 8 4 16 29 12 5 1 2 1 2 2 3 1 2 2 2 3 4 15 20 18 14 27 5 3 2 6 10 6 5 3 2 6 6 10 4 4 13 5 4 3 6 7 18 30 23 12 5 4 6 7 6 18 8 6 8 5 2 5 9 10 12 6 7 12 2 6 0 3 3 5 1 11 2 3 1 4 9 12 15 6 1 12 29 7 11 8 4 13 6 9 3 5 8 6 12 9 4 3 4 8 7 3 3 2 3 11 8 47 19 30 12 9 24 50 16 19 8 22 5 3 2 1 1 1 1 0 1 4 1 1 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 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 2 4 3 4 1 5 4 7 5 5 12 16 15 100 24 14 3 4 2 2 2 0 7 4 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 78 78 m 2H \| 74 73 m 2H \| 70 70 m 1H \| 69 69 d 1H J 83 \| 68 68 d 1H J 27 \| 42 42 dd 1H J 43 118 \| 40 39 dd 1H J 43 119 \| 37 36 m 4H \| 34 34 m 4H \| 33 33 tt 1H J 42 55 \| 28 28 dd 1H J 55 150 \| 26 25 dd 1H J 57 150 \| 24 23 m 2H \| 23 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NC(=O)C(=Cc2cnn3ccc(Nc4ccc(Cl)cc4)nc23)N1	ir: 4 5 2 1 2 1 2 2 2 7 2 1 1 2 4 2 3 2 3 1 1 1 18 4 7 7 8 7 13 4 12 9 2 5 3 1 2 3 3 2 1 2 1 2 7 6 18 15 11 3 3 2 3 6 21 2 9 2 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 6 7 3 3 4 1 2 11 1 7 1 1 1 1 1 1 3 1 3 1 1 1 1 13 4 6 6 7 3 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 20 7 2 1 2 8 3 20 28 8 5 2 3 18 2 1 1 3 2 3 100 7 2 2 15 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6 9 15 4 6 2 7 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 5 7 26 23 29 6 2 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; 1HNMR: 92 92 s 1H \| 89 89 s 1H \| 88 88 d 1H J 71 \| 85 85 s 1H \| 78 78 s 1H \| 75 75 m 2H \| 74 74 m 2H \| 71 70 d 1H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc(C2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1	ir: 15 10 5 12 10 22 9 6 6 22 14 41 8 9 12 10 18 4 4 8 1 2 1 1 1 1 1 0 0 1 1 1 1 2 2 2 7 4 1 6 1 16 3 2 2 1 1 0 1 4 1 0 5 8 34 19 10 5 8 5 3 7 6 5 2 1 2 0 3 22 2 9 25 7 5 1 1 1 2 7 19 12 18 3 3 7 38 11 5 2 3 2 2 10 35 4 6 5 4 6 3 4 4 6 13 7 7 3 5 2 3 6 9 7 12 6 7 13 18 42 11 6 15 20 9 5 9 9 10 8 9 7 11 5 8 7 9 23 7 12 2 3 2 2 2 2 17 7 5 6 7 100 25 3 2 1 1 1 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 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 1 0 0 0 0 0 1 0 1 1 0 1 1 1 2 1 1 2 4 4 2 5 6 5 4 1 6 4 11 11 22 29 26 39 25 13 10 6 3 4 3 1 1 2 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 2H \| 71 71 m 2H \| 37 37 ddd 2H J 58 85 122 \| 34 33 ddd 2H J 58 86 123 \| 30 29 ddd 2H J 55 82 115 \| 28 27 m 1H \| 25 25 t 2H J 82 \| 25 25 s 3H \| 24 24 ddd 2H J 55 82 115 \| 21 20 ddt 2H J 54 82 128 \| 20 19 ddt 2H J 58 86 124 \| 18 17 ddt 2H J 54 82 128 \| 17 16 ddt 2H J 57 84 124 \| 16 15 dq 1H J 56 118 \| 15 14 m 1H \| 15 14 s 10H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21	ir: 8 6 6 5 3 3 6 3 3 2 2 1 2 3 3 6 4 2 2 1 1 2 1 3 4 5 17 26 34 13 13 8 16 4 10 7 4 3 7 25 5 8 48 19 5 1 3 9 2 2 2 2 3 4 1 2 2 7 5 11 27 14 14 7 17 12 8 9 16 13 29 44 46 48 39 38 21 7 4 6 5 8 2 6 10 9 3 2 3 18 16 2 3 4 1 4 3 2 2 4 2 1 1 1 2 3 1 2 3 2 3 3 5 6 3 3 2 3 3 4 8 11 16 16 19 22 17 17 4 5 5 11 37 71 42 30 53 15 4 11 10 10 12 9 6 34 18 5 11 31 16 0 1 2 3 1 1 2 1 0 5 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 1 1 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 1 1 2 1 1 1 2 2 3 2 3 4 3 2 4 5 1 2 4 11 13 39 100 48 5 2 2 2 2 2 1 2 5 3 5 9 21 19 30 21 17 17 24 22 66 85 45 32 7 5 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 77 m 2H \| 77 76 ddd 2H J 7 15 77 \| 76 75 td 2H J 12 77 \| 74 74 td 2H J 14 78 \| 54 54 t 1H J 57 \| 44 44 d 2H J 47 \| 42 42 td 1H J 9 48 \| 36 35 t 2H J 43 \| 35 35 t 2H J 39 \| 34 33 dt 2H J 42 57 \| 29 28 tt 2H J 40 71 \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C2=CCC(C)(C)CC2)c(N2CCNCC2)c1	ir: 1 1 2 1 2 1 0 1 1 1 1 1 3 1 3 2 0 1 0 1 1 1 1 1 1 1 1 0 1 2 1 1 0 1 1 1 1 1 1 1 4 1 1 10 8 3 1 3 3 2 3 11 15 93 69 20 10 12 3 8 4 12 14 2 10 19 12 20 27 14 3 2 7 6 1 1 3 3 3 1 1 1 0 0 1 1 6 3 3 4 2 2 3 3 2 2 3 3 2 4 5 2 2 1 3 2 0 1 35 43 42 7 1 2 7 13 7 13 11 4 3 6 3 3 1 3 2 5 1 23 8 2 2 1 1 1 1 0 0 1 1 1 2 15 8 2 1 1 1 12 9 4 4 6 7 25 9 2 0 0 1 0 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 1 1 2 2 1 1 1 5 2 2 2 1 1 2 4 11 10 4 20 77 37 8 4 3 1 1 0 0 1 1 0 0 0 2 3 4 3 6 19 100 9 4 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 87 \| 69 68 dd 1H J 25 87 \| 64 64 d 1H J 24 \| 59 59 tt 1H J 9 48 \| 38 38 s 3H \| 34 33 m 4H \| 31 29 m 4H \| 26 25 tq 2H J 10 65 \| 21 20 dt 2H J 10 48 \| 19 19 p 1H J 33 \| 16 15 m 2H \| 9 9 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)n(-c2ccc(C(=O)O)cc2O)n1	ir: 6 4 4 5 7 13 3 6 3 9 3 5 3 3 5 3 3 8 6 3 3 16 74 42 6 1 0 2 3 1 1 3 2 1 1 2 2 2 1 2 3 1 1 1 1 1 1 2 1 1 1 2 1 2 4 17 6 0 2 2 1 1 2 2 1 1 4 8 6 2 3 2 2 3 6 13 29 18 7 9 2 4 19 26 4 3 3 6 2 3 6 6 2 12 6 4 1 1 1 2 2 4 3 1 1 1 1 2 3 2 2 1 1 1 4 8 3 6 4 2 1 1 2 1 1 6 4 3 3 2 17 10 2 2 12 2 0 2 2 1 6 34 5 63 22 3 2 5 3 1 1 2 5 1 1 9 5 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 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 2 1 1 2 2 1 2 2 1 1 2 2 3 1 9 12 11 4 6 3 2 3 12 25 40 100 8 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 89 89 s 1H \| 78 78 dd 1H J 22 84 \| 76 76 d 1H J 84 \| 75 74 d 1H J 21 \| 61 61 d 1H J 9 \| 23 23 s 3H \| 19 19 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CSc1cnc(NC(=O)N(C2CCOCC2)C2CCC(C)CC2)s1	ir: 3 7 7 6 4 4 6 4 7 6 9 9 9 5 5 3 2 2 5 12 6 14 28 19 25 29 17 16 12 10 14 6 9 10 8 8 6 12 18 22 5 5 71 29 7 9 7 6 6 3 21 33 14 10 9 6 8 13 7 3 8 8 9 34 12 10 6 4 2 3 6 1 4 7 7 4 11 7 2 4 1 39 10 8 8 16 33 6 5 10 6 2 9 14 45 46 24 10 4 3 6 4 6 12 26 38 28 18 34 16 61 100 80 74 57 30 53 32 32 29 17 36 47 83 36 25 11 9 7 13 4 8 4 5 5 9 4 10 16 52 44 36 43 19 11 42 7 11 3 1 1 2 1 2 1 2 1 1 1 1 1 0 1 2 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 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 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 2 1 3 4 3 2 2 3 6 7 8 5 19 25 45 14 25 21 19 21 23 28 60 87 86 26 14 10 26 10 1 3 3 2 3 1 2 2 2 2 1 1 1 2 1 2 3 2 3 13 60 64 31 3 2 3 1 0 1 1 1 2 1 2 1 1 1 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 95 95 s 1H \| 82 82 s 1H \| 39 38 s 2H \| 37 37 m 6H \| 35 35 ddd 2H J 35 62 110 \| 33 32 p 1H J 64 \| 21 20 dtd 2H J 36 63 128 \| 19 18 m 4H \| 16 15 m 4H \| 15 14 m 1H J 61 \| 12 11 m 2H \| 9 9 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)CCNc1nc2nc(Cl)nc(N3CCOCC3)c2s1	ir: 2 2 7 3 4 4 3 10 6 2 3 2 3 4 3 1 2 2 2 1 4 2 2 1 2 1 1 1 2 6 3 2 1 1 1 1 1 2 2 2 2 3 9 11 5 2 3 1 1 2 2 1 1 2 1 1 2 3 2 2 2 1 2 1 2 3 2 2 1 4 4 2 4 6 2 1 1 2 1 1 4 2 3 2 1 2 3 10 3 2 1 1 2 2 2 1 3 3 7 3 3 6 6 5 6 6 5 2 3 3 1 1 3 2 1 1 2 2 3 2 3 5 5 3 2 2 2 2 2 2 2 2 2 1 6 4 2 1 1 2 2 2 1 5 16 3 1 5 5 100 5 28 1 3 2 0 1 2 2 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 2 2 2 1 1 2 2 3 8 6 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 10 13 8 1 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; 1HNMR: 71 71 t 1H J 48 \| 39 38 m 6H \| 37 36 m 4H \| 33 32 t 2H J 80 \| 30 30 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NC(=O)c2c(OCc3ccco3)cccc21	ir: 6 5 4 5 5 5 4 5 5 5 4 5 5 4 4 4 5 5 5 4 5 4 5 4 5 4 4 5 5 5 5 5 6 10 21 5 6 10 7 5 6 12 16 6 14 45 30 7 9 9 5 5 5 4 5 5 5 4 4 5 5 4 5 5 5 4 10 15 15 7 5 6 6 4 6 5 4 4 4 4 5 8 6 6 4 4 4 4 4 4 5 5 4 4 5 5 4 4 4 4 4 4 5 4 4 4 4 4 4 4 5 5 5 5 6 4 4 12 17 5 5 7 5 5 5 4 5 5 5 11 30 5 5 4 4 4 4 4 5 5 20 9 4 5 5 4 6 9 6 9 5 9 14 4 5 6 7 13 4 10 7 100 11 0 4 7 5 2 4 6 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 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 5 5 4 4 5 5 4 5 6 5 4 6 13 27 21 13 6 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 6 58 6 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; 1HNMR: 78 77 dd 1H J 12 76 \| 75 75 t 1H J 78 \| 75 74 t 1H J 16 \| 71 70 dd 1H J 13 79 \| 65 65 ddt 1H J 9 16 49 \| 64 63 dd 1H J 16 49 \| 52 51 d 2H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)c1ccc(Br)cc1C	ir: 8 5 4 4 4 3 1 10 7 3 3 3 3 1 1 4 8 16 5 4 7 7 13 6 5 4 1 6 6 5 3 7 5 4 2 4 6 2 6 4 5 3 4 4 4 6 9 13 8 4 12 5 5 16 31 16 5 2 7 18 3 1 2 4 14 23 6 7 11 5 12 21 9 4 3 4 1 1 3 3 1 1 2 3 7 17 17 6 1 1 3 4 0 1 4 3 4 5 10 5 2 7 14 17 10 11 6 3 1 3 5 3 3 9 18 12 12 24 16 20 18 9 12 9 11 5 4 2 8 10 16 27 17 7 4 9 10 11 19 71 93 57 13 7 3 7 6 3 5 32 29 8 20 23 4 2 2 2 2 1 6 4 3 1 1 2 2 0 1 2 1 0 1 3 1 0 1 2 1 1 2 2 1 0 1 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 3 9 9 5 4 5 5 3 6 6 4 6 7 6 24 16 7 51 89 100 10 6 5 5 2 3 4 2 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 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 76 76 d 1H J 84 \| 75 74 m 2H \| 29 28 q 2H J 75 \| 25 24 s 3H \| 12 12 t 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(Oc1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1	ir: 6 3 3 1 1 2 1 2 3 11 5 2 2 2 5 13 3 5 3 2 2 3 1 1 1 6 2 1 1 3 3 2 4 19 2 3 2 1 1 1 2 1 1 1 1 1 2 7 4 1 1 2 3 4 21 30 8 11 2 1 1 1 1 2 4 3 3 3 9 9 3 1 2 5 7 3 2 1 1 1 1 1 2 1 1 1 4 5 2 6 21 6 2 2 1 1 1 3 59 59 23 5 4 1 1 1 2 2 1 1 2 6 74 53 6 2 2 5 5 2 3 2 4 1 5 6 5 4 6 4 2 1 1 1 1 1 1 1 1 2 4 6 3 1 2 14 8 0 7 4 3 2 1 3 1 2 1 1 1 0 1 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 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 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 5 3 13 100 19 3 2 4 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 77 dd 1H J 17 25 \| 76 76 dq 2H J 14 77 \| 76 75 m 2H \| 75 74 dtd 1H J 7 20 70 \| 72 71 m 2H \| 57 57 d 1H J 9 \| 43 42 qd 2H J 37 64 \| 13 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(C)SC1CCN(C(=O)OC(C)(C)C)CC1	ir: 4 7 11 15 9 11 16 9 12 26 31 12 34 21 11 10 14 28 9 9 7 4 3 4 4 4 4 7 8 3 3 3 2 2 7 4 3 4 3 3 3 3 3 4 5 4 4 3 2 3 4 7 7 4 4 3 3 5 24 10 7 11 8 6 9 5 4 4 9 8 3 5 4 6 8 3 4 3 3 3 3 6 18 86 25 11 4 6 3 3 3 4 5 4 5 6 5 7 3 7 22 9 5 7 10 11 11 4 6 5 6 7 17 59 38 41 22 13 23 23 18 18 39 52 18 8 11 16 27 25 22 20 21 19 26 33 9 7 5 5 3 5 6 0 21 19 0 7 8 4 10 100 6 3 3 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 2 3 2 1 2 3 2 1 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 1 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 3 3 3 2 3 3 4 3 6 6 10 6 10 6 7 7 10 9 7 7 9 5 9 59 81 25 12 4 4 6 3 2 3 4 2 1 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 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 42 42 q 2H J 61 \| 38 37 ddd 2H J 42 70 123 \| 34 34 m 3H \| 22 21 ddt 2H J 41 69 119 \| 19 18 ddt 2H J 40 69 117 \| 16 16 s 5H \| 15 14 s 8H \| 12 12 t 3H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)C1CCC(F)(F)CC1	ir: 3 3 6 6 45 2 0 2 3 2 3 3 4 6 16 100 48 8 4 3 4 9 6 6 7 7 18 42 6 2 6 9 6 3 12 27 49 85 33 23 4 10 6 44 15 3 3 5 8 2 4 4 6 29 28 13 4 4 3 4 2 2 2 2 2 3 7 25 4 3 4 7 2 2 4 6 2 3 3 3 2 2 3 2 2 6 4 3 2 4 5 8 3 2 3 4 9 13 9 5 5 3 6 17 6 13 41 53 21 5 47 9 5 12 5 5 2 4 5 8 5 7 8 6 7 8 19 48 21 6 8 15 8 4 4 5 4 3 6 3 3 3 6 7 12 33 88 6 8 37 8 35 6 7 14 17 40 11 4 3 2 4 5 3 2 13 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 3 3 5 4 4 6 5 4 4 4 4 8 11 12 8 68 29 6 4 4 4 4 3 3 4 3 3 5 6 3 3 4 4 3 4 4 4 5 26 29 38 21 79 23 8 5 6 5 4 2 3 2 2 3 2 3 2 2 3 3 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; 1HNMR: 96 95 s 1H \| 81 81 d 1H J 23 \| 78 76 m 5H \| 73 72 m 2H \| 27 26 m 1H \| 22 20 m 5H \| 20 18 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCC(C)C1=O	ir: 16 17 21 22 6 5 5 3 2 11 4 3 5 3 3 2 2 4 3 1 1 6 5 3 11 8 2 3 2 2 2 3 3 3 3 1 2 4 2 2 2 3 3 4 2 3 2 1 1 3 3 2 2 3 2 0 2 4 3 3 8 6 5 4 10 9 2 1 2 3 2 6 5 6 2 4 7 2 1 1 2 2 1 1 2 2 1 1 4 8 1 4 7 4 3 4 4 2 2 3 4 8 3 6 7 7 1 3 7 4 13 25 36 20 5 4 5 8 9 11 8 8 9 4 8 12 9 3 4 13 20 9 4 2 2 4 4 3 1 3 4 3 5 100 60 16 7 6 5 2 2 2 1 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 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 4 3 2 2 3 2 3 6 4 12 5 15 31 11 10 19 7 3 1 2 3 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 37 37 s 2H \| 35 34 t 1H J 50 \| 27 26 qt 1H J 48 59 \| 22 21 dddd 1H J 51 62 75 126 \| 19 18 m 2H \| 16 15 dddd 1H J 50 62 75 123 \| 11 10 d 3H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(C(O)CN2CCN(c3ccccc3)CC2)ccc1OC	ir: 5 3 4 4 3 2 5 5 6 3 4 4 4 9 7 5 3 5 6 4 6 3 3 3 5 3 2 2 1 5 5 4 2 2 1 1 2 3 2 2 3 8 4 1 1 1 1 1 1 1 1 2 3 8 10 6 2 4 4 5 2 2 3 6 4 2 2 2 3 5 4 5 4 1 1 1 1 2 1 3 5 3 2 6 9 4 9 7 16 6 6 5 2 3 6 1 1 2 5 4 2 6 3 3 1 1 1 1 2 2 3 1 0 1 1 1 1 1 2 2 1 2 3 5 2 1 2 2 1 1 2 0 1 1 2 3 7 3 1 2 1 1 2 2 3 2 2 2 2 5 3 8 8 2 1 2 0 1 0 1 1 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 1 2 1 1 4 5 11 29 10 3 3 1 3 16 100 28 4 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: 79 79 dd 1H J 7 22 \| 73 73 m 1H \| 73 72 m 2H \| 71 71 d 1H J 84 \| 69 69 m 2H \| 69 68 tt 1H J 13 77 \| 50 50 m 1H \| 39 39 d 1H J 59 \| 39 39 d 6H J 18 \| 33 33 t 4H J 43 \| 31 31 dd 1H J 50 124 \| 29 28 dd 1H J 50 124 \| 28 27 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C=Cc2ncn(CC(O)(Cn3cncn3)c3ccc(F)cc3F)n2)cc1	ir: 2 2 2 2 3 3 5 5 3 5 4 2 3 2 3 2 3 2 3 6 3 2 2 2 1 2 2 3 2 2 3 2 2 2 3 8 8 2 22 13 3 2 2 4 3 5 7 16 5 9 8 7 5 5 8 5 5 28 11 6 4 2 3 4 3 2 3 13 3 4 2 2 3 1 3 2 4 8 6 2 17 4 3 2 2 2 4 4 2 4 2 4 6 5 6 19 5 5 7 3 13 3 2 1 2 2 0 15 8 3 3 2 2 2 6 4 6 4 4 3 2 2 3 4 2 6 4 4 2 6 6 2 3 3 5 2 1 1 2 1 1 1 3 4 2 1 1 1 2 3 14 6 8 13 13 5 3 1 1 1 1 2 1 1 4 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 2 2 1 2 4 4 4 5 3 4 6 8 11 26 100 60 67 9 10 3 2 2 16 2 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 d 1H J 9 \| 82 82 dt 1H J 8 16 \| 78 78 d 1H J 16 \| 75 74 m 3H \| 73 73 m 1H \| 71 71 d 1H J 152 \| 69 69 m 2H \| 69 68 m 2H \| 52 52 ddd 2H J 9 48 143 \| 50 50 s 1H \| 48 48 ddd 2H J 9 81 141 \| 38 38 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc2c(cn1)oc1ccccc12	ir: 0 5 7 2 1 2 16 5 1 2 9 4 2 10 8 4 3 8 5 4 5 9 100 99 64 5 4 2 4 6 4 1 2 2 4 4 10 12 3 2 4 11 46 25 2 2 1 1 2 2 1 12 3 3 2 0 2 2 2 0 1 2 1 0 2 3 2 11 13 5 2 3 6 30 15 3 10 7 6 20 25 14 3 6 2 2 2 2 4 5 3 2 2 1 1 2 2 1 1 1 2 66 2 4 2 1 1 1 2 1 0 1 3 2 25 16 8 6 1 1 2 3 2 1 1 1 1 2 2 2 1 1 2 1 1 10 14 12 6 12 19 2 3 19 3 1 2 4 1 5 3 2 2 6 1 2 1 0 1 2 1 1 10 3 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 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 2 1 1 1 2 1 2 2 2 3 2 2 5 9 27 19 12 2 0 1 3 1 0 6 26 4 2 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 90 89 s 1H \| 86 86 s 1H \| 81 80 dd 1H J 13 90 \| 77 76 dd 1H J 14 66 \| 75 74 ddd 1H J 13 67 88 \| 74 73 td 1H J 15 89	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C2CCC1CN(c1ccc(C#Cc3ccc(N)cc3)nn1)C2	ir: 7 17 10 13 14 10 4 8 8 5 3 2 2 2 2 7 9 6 3 1 1 3 2 3 1 2 2 2 1 1 3 2 1 1 3 4 1 1 1 0 1 1 1 1 2 9 10 8 6 11 12 8 37 23 42 17 8 6 9 5 3 1 2 2 3 0 2 1 3 3 1 14 3 3 4 2 2 14 11 5 11 3 1 1 1 0 3 7 6 4 8 3 6 4 5 2 1 2 3 2 2 2 4 7 4 4 13 6 9 5 2 1 1 1 4 1 2 2 3 4 5 4 2 3 1 1 1 1 2 1 1 2 1 3 5 1 2 5 2 1 1 1 1 3 8 14 1 3 2 1 27 8 6 8 12 31 35 13 5 3 3 2 5 17 3 1 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 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 1 0 1 1 1 0 1 2 2 2 1 1 3 2 2 5 5 7 12 20 35 8 2 1 1 1 1 1 0 0 0 0 0 0 0 1 2 12 13 2 1 1 0 0 0 0 0 4 22 21 100 23 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 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; 1HNMR: 74 74 d 1H J 70 \| 74 73 m 2H \| 69 68 d 1H J 71 \| 66 66 m 2H \| 41 40 dd 2H J 46 125 \| 37 36 m 4H \| 33 33 pq 2H J 15 46 \| 26 25 t 3H J 15 \| 20 19 m 2H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(C(=O)CCC(=O)O)cnc1-c1ccccc1	ir: 1 3 3 6 2 4 8 8 13 10 13 15 13 15 27 25 38 22 71 95 100 75 47 35 28 20 13 2 7 7 6 4 9 8 4 9 4 5 5 7 12 19 26 20 7 4 9 5 4 7 6 3 6 4 3 3 5 6 9 9 5 3 5 4 3 2 2 5 7 13 8 4 4 4 8 9 13 7 47 31 38 41 12 9 14 17 13 8 7 4 6 6 6 4 2 4 4 4 2 8 2 4 2 1 2 1 1 1 2 1 1 4 4 3 5 3 6 5 8 17 6 13 21 11 16 25 4 9 6 10 29 29 21 10 14 6 4 13 17 47 52 21 62 37 33 20 18 7 3 2 2 5 5 2 1 2 3 4 8 11 4 3 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 0 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 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 3 3 2 4 5 4 2 2 4 3 6 15 14 33 40 23 14 13 7 3 3 3 3 4 50 19 36 17 4 4 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 79 79 s 1H \| 77 76 m 2H \| 76 75 m 2H \| 75 75 m 1H \| 39 39 s 3H \| 34 33 t 2H J 86 \| 28 28 t 2H J 86	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc2sc(N3CCN(Cc4c[nH]c5ncccc45)CC3)cc2c1	ir: 3 5 8 16 13 13 10 7 4 5 4 22 7 5 6 8 18 6 4 3 3 4 5 9 11 13 6 22 21 11 7 5 4 6 6 5 8 10 23 94 16 20 21 9 7 4 3 7 10 15 27 13 9 8 6 8 9 18 13 14 7 10 19 54 31 12 15 14 7 3 5 3 3 4 6 5 3 4 3 2 38 12 23 28 5 7 20 8 5 6 3 3 4 4 8 11 21 59 39 14 15 9 11 5 4 4 11 23 7 11 6 6 8 7 4 8 6 15 17 11 2 4 5 3 3 4 5 5 5 14 8 7 6 7 7 6 17 6 17 30 58 33 20 7 6 2 2 10 6 6 9 43 100 27 23 75 0 10 25 13 5 15 6 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 3 3 5 4 2 3 7 7 3 13 16 29 12 86 28 24 57 15 11 5 5 3 2 3 3 2 3 4 6 4 4 4 3 3 7 13 20 55 44 27 16 34 12 5 4 2 3 4 4 2 3 3 3 2 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 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 98 98 d 1H J 70 \| 87 86 dd 1H J 20 38 \| 84 83 dd 1H J 20 75 \| 78 78 m 2H \| 75 74 m 2H \| 73 73 dd 1H J 40 75 \| 71 71 dq 1H J 7 67 \| 65 65 d 1H J 21 \| 39 39 d 2H J 7 \| 35 34 m 4H \| 31 30 t 4H J 41	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCNc1cc(COc2ccccc2CC(=O)O)cc(-c2cccc([C@H](N)CO)c2)c1	ir: 0 2 2 1 1 4 4 5 4 6 4 3 3 10 3 3 4 3 3 5 9 13 17 6 4 2 0 0 0 1 2 2 2 1 0 0 0 0 0 1 1 1 15 2 0 1 1 4 2 0 0 1 1 1 1 1 1 2 1 4 3 2 2 7 2 2 7 2 4 4 3 2 1 2 2 2 2 3 7 10 7 5 1 2 2 3 7 7 1 4 4 4 1 1 2 6 1 1 2 1 1 1 1 0 1 2 0 1 0 0 1 1 2 2 1 1 1 0 2 3 5 1 2 2 1 3 1 4 2 2 1 2 2 4 4 1 1 1 1 1 2 3 15 6 8 4 1 1 3 3 0 1 2 0 5 1 0 0 1 1 0 0 4 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 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 1 0 0 1 0 0 1 1 0 1 2 2 2 2 13 6 2 1 1 1 1 5 21 37 100 8 8 3 3 3 3 1 4 1 1 2 3 6 2 0 14 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 td 1H J 7 22 \| 76 75 ddd 1H J 13 22 77 \| 75 74 m 2H \| 74 73 ddt 1H J 8 20 77 \| 73 72 ddt 1H J 9 18 78 \| 72 72 td 1H J 18 78 \| 72 71 td 1H J 13 77 \| 69 69 dd 1H J 13 79 \| 67 67 t 1H J 22 \| 66 66 tt 1H J 9 21 \| 51 50 t 2H J 9 \| 49 48 t 1H J 48 \| 43 42 m 1H \| 41 40 ddd 1H J 37 53 128 \| 38 37 ddd 1H J 37 54 128 \| 36 35 d 2H J 9 \| 35 35 dd 2H J 38 47 \| 35 34 m 2H \| 34 33 s 2H \| 31 31 t 1H J 53 \| 27 27 d 2H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CN1CCN(c2ccccc2C2CCCCCCC2)CC1	ir: 3 4 4 1 1 1 3 2 3 3 2 4 3 6 4 4 6 5 2 1 1 0 1 1 0 1 1 2 4 7 7 2 1 1 1 1 1 3 6 3 7 5 88 16 4 10 8 6 2 2 3 0 1 2 2 4 10 8 42 28 11 15 3 0 2 3 5 1 9 1 5 9 8 9 6 13 7 4 13 10 3 3 19 24 34 6 6 33 4 4 3 4 4 6 5 8 1 10 6 9 4 10 12 8 8 2 4 5 6 5 10 6 6 17 8 5 3 2 2 4 6 9 12 2 2 3 3 2 4 3 3 2 2 3 5 9 5 18 21 6 2 2 2 4 6 9 11 5 11 14 5 1 0 0 0 1 1 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 3 1 1 3 6 4 8 3 3 3 4 5 10 4 37 9 8 100 46 11 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 td 1H J 14 78 \| 71 70 ddd 1H J 7 14 82 \| 69 68 td 1H J 14 81 \| 67 67 dd 1H J 14 75 \| 33 32 m 4H \| 28 27 m 1H \| 27 26 m 4H \| 24 23 d 2H J 51 \| 19 17 m 3H \| 16 14 m 13H \| 9 8 d 6H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(-n2cnc3cccc(C)c32)c1C	ir: 29 42 31 29 37 22 11 6 18 13 8 7 10 7 7 18 18 18 12 10 9 7 3 5 7 1 2 7 5 3 3 5 12 6 4 6 8 10 21 18 8 9 9 23 17 11 45 71 54 11 6 7 5 1 4 6 3 0 6 6 3 2 3 8 6 5 6 6 5 4 4 7 4 2 17 25 13 9 15 20 7 5 5 6 3 1 5 8 9 6 8 12 9 12 6 5 2 5 8 62 69 42 16 8 9 6 6 5 2 4 11 16 4 11 25 39 5 15 7 11 12 9 9 3 2 4 7 4 4 7 6 4 1 6 5 4 8 10 17 15 38 46 24 7 11 80 70 17 12 8 7 6 10 6 5 2 5 12 5 18 9 7 4 1 3 5 3 1 2 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 3 1 2 4 3 1 2 4 3 3 5 6 5 3 3 4 3 3 4 5 5 6 8 31 31 7 26 100 41 15 9 9 5 2 4 8 3 1 4 4 3 2 4 4 2 2 4 4 2 1 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 84 84 s 1H \| 78 78 dd 1H J 13 75 \| 77 77 dd 1H J 11 66 \| 76 76 dd 1H J 12 67 \| 74 74 dd 1H J 66 75 \| 74 73 dd 1H J 66 75 \| 73 72 m 1H \| 39 39 s 3H \| 26 26 s 3H \| 24 24 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(=O)[nH]n3)c(F)c2)CC1	ir: 8 9 9 17 38 18 18 11 10 18 13 36 16 8 9 4 4 5 17 5 5 7 3 3 3 7 4 14 6 6 4 3 2 2 3 5 4 11 14 4 4 4 4 3 4 3 5 5 35 11 6 2 5 9 8 41 39 69 50 21 8 13 10 9 18 5 5 16 36 20 14 2 4 10 20 7 5 3 3 3 2 2 3 3 3 3 4 4 6 5 14 37 12 11 4 5 4 5 4 5 10 5 3 7 14 9 4 5 5 8 3 5 4 5 4 14 7 22 9 15 14 13 17 10 4 17 1 14 9 11 15 14 7 5 16 39 32 13 14 9 5 2 3 6 8 8 20 35 27 58 19 56 28 21 15 2 3 4 3 4 6 20 6 0 6 7 3 3 3 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 2 2 2 2 3 3 3 3 4 4 8 6 3 5 7 5 7 4 5 6 5 6 20 97 14 20 56 57 53 11 3 4 4 4 3 3 3 3 2 2 2 2 2 3 3 4 5 8 4 16 100 18 25 7 17 14 5 2 2 3 5 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 77 76 dd 1H J 20 95 \| 76 75 dd 1H J 51 79 \| 70 69 m 2H \| 68 68 dd 1H J 22 121 \| 45 44 p 1H J 45 \| 37 36 ddd 2H J 59 86 124 \| 34 33 ddd 2H J 59 86 124 \| 23 22 dddd 2H J 45 59 86 131 \| 21 20 dddd 2H J 46 60 86 131 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncc(-c2cnn([C@@H]3CC[C@@H](O)CC3)c2)c2cc(-c3ccc4c(c3)C(=O)NC4)oc12	ir: 12 3 7 5 5 10 5 4 4 4 5 2 1 3 2 6 15 7 5 18 12 6 3 10 6 3 4 4 4 5 4 1 1 2 2 1 4 12 9 3 4 4 2 7 8 12 6 1 2 3 2 1 2 3 2 3 3 4 1 1 2 2 5 2 3 2 5 2 3 4 2 3 1 2 2 2 2 2 1 1 1 1 1 1 2 4 5 9 5 11 3 5 5 3 0 1 6 7 1 2 2 1 0 2 15 5 4 1 3 3 1 1 2 1 4 3 4 7 1 2 8 6 12 2 5 5 4 5 4 3 2 4 5 8 2 3 5 1 2 2 19 5 1 1 2 3 1 3 14 9 8 5 11 7 100 15 11 9 42 3 2 1 3 2 7 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 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 3 1 1 3 2 1 2 3 2 2 4 8 5 25 7 6 8 6 1 2 6 9 3 2 1 1 1 2 1 1 2 23 16 1 2 2 10 17 8 6 3 1 2 5 100 2 2 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 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; 1HNMR: 87 87 s 1H \| 83 83 d 1H J 23 \| 80 79 s 1H \| 78 78 dd 1H J 22 84 \| 76 76 m 2H \| 75 75 dq 1H J 7 83 \| 75 74 s 1H \| 66 66 s 2H \| 44 44 dd 2H J 8 41 \| 41 40 m 1H \| 38 37 qt 1H J 31 59 \| 29 28 d 1H J 57 \| 20 18 m 6H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1N(Cc2cc3cccc(F)c3o2)c2ccccc2C12COc1cc3c(cc12)CCO3	ir: 7 10 6 5 9 8 3 2 3 6 21 5 3 8 5 9 17 4 3 3 6 4 3 6 6 4 3 3 3 13 7 4 5 3 5 6 27 13 4 11 6 7 20 31 6 15 5 12 55 31 9 3 5 5 5 4 3 4 2 2 5 4 4 3 8 21 38 20 9 11 14 26 14 9 26 9 4 3 3 4 3 6 10 6 25 2 4 3 2 6 4 4 7 11 8 6 8 4 4 57 3 3 5 4 2 4 5 7 20 4 9 10 9 4 19 15 7 4 3 3 10 14 7 4 4 4 7 7 4 4 6 7 9 5 3 4 9 6 13 27 4 8 12 3 2 5 5 10 15 26 84 16 18 3 6 3 9 1 2 28 4 6 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 3 2 3 3 4 4 10 4 6 4 2 4 5 4 0 25 12 16 100 65 30 9 5 4 8 4 4 4 3 3 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 71 m 8H \| 67 67 dq 1H J 8 17 \| 66 66 s 1H \| 54 53 m 2H \| 51 50 d 1H J 115 \| 48 48 d 1H J 113 \| 45 44 t 2H J 42 \| 32 31 td 2H J 9 42	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc2c([nH]1)CCC2Cc1cccc(-c2ccc(CO)cc2)c1	ir: 3 3 1 3 5 3 0 3 3 3 4 3 8 8 2 4 5 3 2 7 8 3 11 80 100 21 10 2 5 4 4 0 1 3 2 2 1 3 2 4 9 2 2 3 7 10 27 43 5 2 4 6 2 4 4 1 2 5 3 1 2 2 2 3 2 2 2 1 5 9 3 3 9 6 3 3 4 6 15 4 3 7 5 5 8 17 33 5 23 12 13 9 13 6 11 2 2 3 3 2 3 2 1 1 2 2 2 2 6 6 2 18 17 8 41 3 2 2 2 4 4 5 4 7 5 13 5 4 7 9 6 2 2 2 2 1 2 2 1 4 35 3 6 9 3 7 9 53 14 5 1 8 6 2 2 7 2 1 1 4 1 1 1 1 2 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 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 2 1 1 1 2 1 1 1 2 2 2 3 5 2 4 3 3 3 2 7 8 14 29 18 7 10 6 5 6 8 43 14 21 9 4 2 2 2 2 1 2 2 2 1 3 4 4 2 16 15 9 18 3 2 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; 1HNMR: 94 94 s 1H \| 76 75 m 3H \| 75 74 ddd 1H J 12 21 79 \| 74 74 tt 1H J 8 20 \| 74 73 dt 2H J 9 84 \| 72 72 ddq 1H J 10 20 79 \| 65 65 d 1H J 7 \| 46 45 dt 2H J 9 57 \| 32 31 ddt 1H J 9 64 133 \| 31 30 m 1H \| 30 29 m 2H \| 29 28 ddd 1H J 45 63 146 \| 28 27 t 1H J 57 \| 22 22 dddd 1H J 44 52 62 125 \| 20 19 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(C)Oc1ccc(OCc2ccccc2)cc1-c1cc(OCCc2scnc2C)n[nH]1	ir: 5 1 2 4 8 9 2 3 3 7 33 14 9 13 3 2 2 2 1 3 2 4 2 3 1 2 3 5 3 9 8 5 4 3 4 7 3 5 15 15 30 30 5 6 2 11 3 3 2 0 25 8 3 10 34 12 8 4 6 4 2 4 2 2 4 7 14 15 32 9 17 29 49 26 17 6 10 37 16 11 17 4 2 1 2 2 2 4 8 9 2 3 2 3 3 17 4 27 8 11 2 2 3 2 4 3 4 10 10 3 5 10 1 9 12 6 1 3 8 9 12 9 7 8 7 6 5 9 16 8 1 3 5 7 11 5 7 4 6 28 5 9 17 45 48 10 10 3 8 16 7 5 69 14 4 2 2 1 51 7 1 1 1 1 10 1 1 1 1 0 0 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 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 1 0 0 1 0 0 0 1 1 2 2 1 2 2 2 3 2 3 4 5 4 6 10 13 19 14 29 100 43 34 16 7 4 2 1 1 1 8 1 0 1 1 1 1 1 1 1 2 3 2 1 2 16 38 63 13 5 5 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; 1HNMR: 84 84 s 1H \| 74 74 ddt 2H J 9 15 67 \| 74 73 m 3H \| 73 73 m 1H \| 69 69 d 1H J 86 \| 69 68 dd 1H J 26 86 \| 63 63 s 1H \| 51 50 d 2H J 9 \| 47 46 m 3H \| 37 36 dd 1H J 43 114 \| 34 34 dd 1H J 43 114 \| 34 34 s 3H \| 31 30 t 2H J 67 \| 24 23 s 3H \| 14 13 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1Cc2nc(-c3ccccc3)ccc2NC1=O)OCc1ccccc1	ir: 1 1 3 3 1 2 2 2 1 3 1 2 1 4 2 1 0 1 2 4 4 2 13 3 1 3 4 9 5 16 9 26 9 71 45 5 3 8 9 12 10 73 15 32 8 3 3 4 11 4 2 0 6 14 20 3 5 2 1 1 1 1 1 1 1 2 9 3 5 8 2 2 0 1 3 1 1 0 9 2 0 0 1 0 0 0 1 3 4 7 8 2 0 0 0 1 5 2 9 4 5 8 3 1 0 2 1 1 0 0 1 1 5 4 1 1 1 2 6 8 13 22 34 26 22 3 4 3 1 2 8 7 5 6 9 28 4 23 29 5 2 3 8 14 22 9 23 24 11 100 14 5 2 12 15 5 1 1 1 37 3 2 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 4 4 1 1 1 4 5 2 1 7 5 17 32 50 15 10 2 1 1 1 2 1 1 0 1 0 0 0 1 1 2 2 1 1 4 12 34 38 15 8 6 3 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; 1HNMR: 98 98 s 1H \| 78 78 m 3H \| 78 77 d 1H J 84 \| 75 74 m 2H \| 74 73 m 1H \| 74 73 m 5H \| 64 64 d 1H J 84 \| 51 51 s 2H \| 46 46 dt 1H J 53 84 \| 34 33 dd 1H J 53 169 \| 31 31 dd 1H J 54 169	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC(N2CCOCC2)C1	ir: 7 6 11 5 6 8 5 8 6 6 4 11 7 9 16 34 28 30 29 7 20 44 36 7 7 6 3 3 2 5 6 5 5 3 7 4 2 2 4 4 2 3 3 3 5 4 3 2 6 24 21 20 15 52 38 3 17 28 18 6 20 14 10 8 21 17 8 3 4 5 9 58 16 41 10 7 6 4 3 4 5 6 22 30 26 48 41 37 11 6 4 7 5 7 8 17 19 11 16 10 16 12 6 10 23 48 58 12 7 3 5 5 6 7 14 19 25 94 49 22 16 12 14 5 7 5 7 8 17 10 11 13 11 7 7 6 3 7 5 6 5 2 4 4 4 3 3 8 80 33 64 4 6 6 3 0 1 3 2 1 1 3 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 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 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 5 7 4 5 3 9 6 10 4 7 9 11 100 30 34 19 10 8 4 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 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 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; 1HNMR: 39 39 dd 2H J 41 96 \| 37 36 m 7H \| 32 32 p 1H J 42 \| 26 26 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.
CS(=O)(=O)c1ccc2[nH]c3cc(Br)cnc3c2c1	ir: 6 4 8 7 2 6 12 21 20 39 12 3 2 4 4 2 1 4 13 5 13 21 7 3 2 7 6 2 2 4 5 7 5 7 11 100 53 76 22 5 6 7 4 1 2 6 3 0 2 5 3 2 13 37 29 15 5 15 11 5 5 8 5 1 51 6 55 8 12 6 4 2 4 5 2 2 3 4 2 2 4 27 32 14 17 32 55 11 9 12 34 4 3 4 3 4 4 7 49 46 19 10 4 8 8 13 14 7 7 13 19 50 7 6 2 4 4 5 0 10 33 33 9 18 7 3 3 3 2 3 7 73 14 2 2 4 4 2 1 3 5 5 3 3 3 1 4 10 7 6 4 9 47 98 23 8 6 1 2 5 5 9 9 9 3 0 2 4 2 1 2 4 2 0 2 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 4 4 1 2 4 3 2 2 7 3 1 2 4 3 1 2 5 3 3 3 6 25 19 17 17 53 94 42 13 6 2 4 5 4 4 6 4 4 1 2 3 2 2 3 4 4 4 5 6 3 2 27 36 35 15 8 9 4 3 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 86 86 d 1H J 23 \| 84 84 d 1H J 16 \| 83 83 d 1H J 18 \| 79 78 dd 1H J 21 78 \| 78 78 d 1H J 76 \| 32 31 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)[C@@H](N)Cc1ccc(S(=O)(=O)c2ccccc2)cc1	ir: 0 1 1 2 0 3 1 2 2 3 5 3 17 13 11 27 12 57 7 25 8 8 2 2 2 1 1 2 9 6 11 3 5 22 7 19 7 22 6 14 18 10 5 5 1 4 4 4 3 2 2 0 3 8 31 33 15 6 5 6 4 5 18 25 18 1 3 0 7 53 17 8 4 3 6 41 9 22 29 15 9 13 11 8 58 17 5 6 11 1 2 2 2 18 44 6 1 4 9 7 4 5 5 1 1 2 6 2 1 1 2 1 0 2 3 1 0 1 0 9 7 9 10 9 23 15 11 2 1 5 5 10 4 18 100 43 13 7 2 1 2 4 45 13 24 8 5 16 4 1 1 1 3 2 2 4 7 34 45 9 6 3 2 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 3 2 1 4 2 4 2 2 13 6 13 61 31 8 2 5 2 2 2 2 1 2 3 4 7 6 12 14 12 55 7 4 9 21 39 35 6 4 3 4 8 28 90 21 2 2 1 1 1 0 0 0 1 0 1 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 1 0 0 0 0 0 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; 1HNMR: 79 79 m 2H \| 79 78 m 2H \| 76 75 m 3H \| 74 73 dt 2H J 9 96 \| 65 65 s 2H \| 50 50 d 2H J 59 \| 39 38 p 1H J 58 \| 32 31 ddt 1H J 8 58 152 \| 30 29 ddt 1H J 9 57 150	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(C)C(=O)C1N=COC1c1ccncc1	ir: 3 15 12 48 2 5 8 9 8 24 18 9 7 24 6 9 19 11 4 60 25 34 32 25 6 6 8 11 7 43 28 11 18 9 1 44 23 9 4 3 3 3 8 13 30 6 6 7 5 2 4 1 2 1 2 1 2 2 2 1 2 3 5 21 17 20 4 6 5 3 17 37 82 25 15 18 10 5 5 3 5 6 7 10 4 7 100 71 26 22 16 9 5 4 3 5 4 12 7 4 13 2 5 6 6 19 30 9 16 11 23 94 27 15 16 26 7 17 13 12 5 7 17 5 13 16 10 9 11 10 7 13 6 3 13 10 15 8 3 3 2 1 2 3 5 1 37 99 9 9 4 7 27 20 9 3 3 4 7 53 97 8 4 0 1 3 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 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 2 2 2 4 1 2 4 5 3 7 10 13 7 13 7 24 17 83 53 27 15 5 4 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 m 2H \| 76 76 t 1H J 17 \| 75 74 dt 2H J 8 36 \| 58 58 m 1H \| 51 50 dd 1H J 18 81 \| 34 33 m 2H \| 29 29 s 2H \| 12 12 t 3H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)c2cccnc2)cc1Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1	ir: 3 1 3 4 5 12 3 5 4 4 5 14 14 5 2 1 2 6 1 2 3 2 17 14 12 19 9 5 4 2 6 2 3 6 5 7 16 32 67 16 3 0 7 42 7 6 4 2 5 3 3 1 1 1 15 13 7 1 2 1 1 2 2 6 6 13 42 12 6 8 6 2 14 9 4 1 3 3 5 2 4 2 2 1 2 1 1 1 1 1 1 1 2 1 1 1 3 6 26 35 3 2 2 1 2 4 22 15 2 2 2 10 8 11 4 6 7 7 10 7 6 11 1 1 1 1 1 7 17 5 6 4 1 1 0 1 2 3 6 5 2 2 6 100 13 19 8 15 22 68 10 4 10 13 7 7 43 4 5 39 60 13 5 8 7 2 1 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 1 3 5 18 21 34 11 7 4 2 2 1 1 2 1 1 1 1 2 2 3 2 2 2 3 4 6 10 13 55 45 18 9 8 7 2 1 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 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 95 95 s 1H \| 93 92 t 1H J 18 \| 87 87 m 3H \| 83 83 d 1H J 21 \| 83 82 m 1H \| 81 81 m 2H \| 80 80 s 1H \| 75 74 dd 1H J 49 79 \| 74 73 dd 1H J 21 81 \| 72 72 dq 1H J 10 81 \| 69 69 q 1H J 14 \| 23 23 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc(NC(=O)c2csc(-c3cccc(F)c3Cl)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	ir: 10 3 1 4 5 5 3 5 4 5 15 11 2 10 12 5 5 10 7 5 3 7 7 4 3 2 3 1 4 7 4 4 4 5 8 3 3 4 5 8 8 3 4 2 7 13 9 15 18 11 9 15 6 5 4 2 4 11 33 31 13 7 6 4 4 5 8 7 6 13 18 6 7 7 18 12 21 9 12 5 9 4 7 24 14 7 6 2 8 4 3 3 3 2 2 4 8 5 1 2 3 2 3 5 7 2 3 6 5 5 6 3 4 4 1 4 5 2 9 10 11 8 10 9 5 3 3 5 26 31 15 12 40 13 7 12 26 16 6 16 37 5 4 14 29 12 4 1 2 2 2 6 4 13 9 4 4 4 6 18 6 0 2 1 0 0 0 5 18 5 2 1 0 1 1 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 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 1 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 1 0 1 1 1 2 2 3 3 3 3 3 2 3 3 3 4 4 13 8 5 20 22 9 5 6 5 2 1 2 2 2 3 5 12 23 33 18 10 8 5 4 8 24 100 46 23 11 7 3 1 1 1 1 1 1 1 0 1 0 1 0 0 0 0 1 0 0 1 0 0 1 1 1 1 0 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; 1HNMR: 91 91 s 1H \| 81 81 s 1H \| 76 76 dd 1H J 7 81 \| 75 74 m 2H \| 72 72 ddd 1H J 7 78 103 \| 50 49 dd 1H J 54 63 \| 44 44 ddd 1H J 44 51 69 \| 43 42 m 1H \| 39 38 ddd 1H J 49 132 172 \| 38 38 s 3H \| 37 36 ddd 1H J 44 132 174 \| 30 28 m 1H \| 28 27 dd 2H J 37 70 \| 23 22 m 1H \| 21 19 m 2H \| 19 17 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@H]1NCC[C@@H]1C	ir: 2 1 4 4 2 3 2 4 3 18 11 4 10 3 2 3 3 1 4 3 5 4 3 5 2 1 1 1 4 9 15 11 4 4 2 5 12 17 14 17 10 17 10 17 12 6 9 16 16 15 13 6 10 9 25 17 12 9 4 8 11 5 4 4 13 19 18 36 6 8 5 3 6 3 11 17 2 6 2 1 2 1 2 1 1 1 1 2 1 1 3 4 5 2 3 2 3 11 7 4 12 12 8 10 20 34 46 72 66 70 22 11 18 15 4 11 11 9 23 7 15 8 7 11 9 5 3 4 5 5 1 6 3 3 1 3 2 1 1 2 4 2 2 70 100 15 10 9 0 2 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 3 3 2 1 2 2 3 1 2 5 6 8 5 7 16 10 2 2 1 1 1 1 1 1 1 2 1 1 1 3 3 1 2 6 6 22 69 64 23 4 5 3 2 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 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 1 0 0 1 0 0; 1HNMR: 42 41 m 2H \| 34 34 tt 1H J 18 62 \| 31 30 dt 1H J 29 60 \| 30 29 ddtd 1H J 18 27 46 134 \| 29 28 ddtd 1H J 18 27 45 133 \| 22 21 m 1H \| 19 18 dddd 1H J 27 37 46 134 \| 16 15 m 1H \| 13 12 t 3H J 63 \| 9 9 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N)(C#N)Cn1nc2cc(C(F)(F)F)cc(Cl)c2n1	ir: 16 6 1 3 3 1 1 1 2 1 1 1 2 2 1 2 6 2 1 1 2 1 1 2 2 4 6 2 2 3 2 1 2 2 1 1 1 1 1 1 1 1 8 2 1 2 1 1 2 3 5 1 1 1 3 1 2 1 5 0 23 83 9 0 4 16 3 34 15 6 3 2 13 5 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 3 10 9 4 5 3 5 5 27 18 3 5 2 11 5 5 14 6 5 2 3 3 12 18 5 1 1 1 3 5 3 3 7 4 3 2 6 4 11 3 4 4 9 100 62 12 4 3 2 1 2 1 1 5 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 2 2 2 4 4 1 1 2 2 1 4 5 9 8 4 14 3 2 2 2 1 1 1 2 1 1 1 2 1 1 53 10 2 2 1 2 2 98 18 6 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 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; 1HNMR: 82 82 dq 1H J 9 19 \| 79 79 dq 1H J 10 21 \| 46 45 d 1H J 139 \| 43 43 d 1H J 139 \| 20 20 s 2H \| 18 18 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(C)O)c2ncnc(N)c12	ir: 10 12 29 23 18 22 20 14 29 19 33 24 15 8 8 6 10 16 38 13 7 16 19 11 5 28 17 8 6 6 6 5 5 7 14 16 5 6 4 5 18 35 14 42 38 8 5 18 13 12 8 7 6 2 4 6 2 4 5 2 7 4 6 8 8 12 12 28 28 12 7 20 9 10 9 4 4 10 12 43 19 38 17 9 13 23 88 100 23 70 45 59 36 28 27 8 6 7 5 2 5 4 4 4 16 14 4 21 6 6 35 19 4 3 2 5 2 4 4 3 1 3 8 4 4 15 10 6 2 6 3 2 1 1 2 2 0 3 2 2 7 5 4 6 6 63 21 12 7 4 23 26 77 39 11 7 4 13 7 4 4 6 7 6 3 1 1 1 1 0 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 0 1 1 1 1 1 1 1 1 0 0 0 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 4 1 1 2 3 2 2 2 3 12 8 7 8 13 3 8 9 5 3 6 13 15 11 57 45 34 9 4 8 4 4 4 5 5 4 44 8 3 7 4 2 2 2 2 3 4 29 89 5 2 1 2 1 1 1 1 1 0 0 1 0 0 1 0 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; 1HNMR: 82 81 s 1H \| 70 70 t 1H J 6 \| 70 69 m 1H \| 69 69 s 2H \| 58 57 q 1H J 8 \| 57 56 dd 1H J 24 158 \| 55 55 dd 1H J 24 104 \| 47 46 m 2H \| 40 40 s 1H \| 40 39 m 2H \| 39 38 dddd 1H J 19 28 53 117 \| 36 36 dddd 1H J 18 27 53 117 \| 14 13 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CC(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)=C(O)C1=O	ir: 1 2 7 3 1 2 3 1 5 12 7 50 47 4 5 10 1 3 8 6 1 2 2 1 3 2 3 2 3 2 4 4 1 1 2 8 7 6 7 53 8 2 2 1 2 10 3 3 4 2 2 3 3 2 2 3 17 5 2 1 1 2 3 2 2 2 5 1 2 2 3 2 5 2 3 3 2 2 1 1 3 6 35 9 2 3 3 3 1 2 3 3 6 23 4 2 1 3 17 11 11 48 2 4 6 3 1 1 3 2 1 2 20 3 2 4 2 2 2 2 3 7 4 2 2 5 20 3 2 2 2 2 3 5 1 1 3 1 1 2 2 6 20 2 2 1 1 2 10 6 54 1 1 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 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 2 2 2 1 2 2 2 2 4 2 15 13 7 2 2 1 2 4 4 100 4 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 89 89 s 1H \| 76 76 dq 2H J 14 76 \| 74 74 dt 2H J 9 73 \| 45 45 d 2H J 9 \| 35 34 s 2H \| 31 31 s 3H \| 30 30 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1cc(Cl)c(Oc2ccc(OC)cc2)c(Cl)c1	ir: 2 2 2 2 3 1 1 2 1 1 1 2 3 4 3 2 2 1 2 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 1 1 1 1 1 2 1 1 2 1 4 5 11 74 100 16 6 4 4 3 0 3 5 3 5 2 46 3 23 2 2 1 1 2 1 1 4 1 1 1 1 1 1 1 2 6 3 17 14 3 3 1 1 3 1 2 2 1 1 1 1 2 1 2 1 2 1 3 1 1 0 1 1 1 1 1 1 1 1 2 3 4 2 1 2 6 3 2 2 1 1 0 1 1 4 0 1 1 0 1 1 1 1 4 1 4 6 51 2 5 2 5 5 3 2 1 1 1 4 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 0 1 0 1 1 1 1 1 1 1 1 1 0 1 1 0 1 0 1 1 1 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 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 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 3 4 3 13 8 12 80 29 8 6 3 3 0 2 2 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 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 73 t 2H J 9 \| 69 69 m 5H \| 44 44 d 2H J 9 \| 38 38 s 3H \| 34 34 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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