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train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
CCCn1c(CO)nn(Cc2ccc(SC(F)(F)F)cc2)c1=O	ir: 10 5 2 6 8 3 2 3 4 3 4 3 6 6 10 4 4 2 1 5 4 3 1 5 4 2 1 4 4 3 2 4 4 3 4 6 5 1 3 5 36 4 7 5 3 2 3 12 2 4 4 5 6 12 16 18 13 6 4 5 2 0 3 4 2 2 2 4 3 2 3 4 1 0 3 4 1 0 3 4 1 1 4 7 13 49 16 23 31 18 10 7 11 10 17 25 85 10 2 3 3 2 2 2 1 2 3 4 4 6 6 3 2 3 4 6 3 6 7 4 5 5 6 11 12 5 5 2 1 3 7 9 2 3 3 4 4 12 3 2 2 3 3 2 3 6 28 13 3 3 4 2 6 4 3 6 76 11 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 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 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 2 4 4 2 2 4 3 2 3 4 2 1 3 6 3 1 2 3 2 1 4 8 14 9 17 18 14 3 8 12 5 1 27 100 34 11 3 3 3 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 2 3 3 2 2 2 3 3 3 3 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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: 77 76 m 2H \| 73 73 dp 2H J 9 73 \| 52 52 t 2H J 9 \| 44 44 d 2H J 60 \| 39 39 t 2H J 68 \| 32 32 t 1H J 60 \| 17 16 qt 2H J 67 78 \| 10 10 t 3H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc2cc(C(=O)O)sc2c1	ir: 1 1 2 1 2 1 2 1 1 2 3 3 4 2 1 3 4 4 2 1 1 3 53 76 13 1 0 2 4 1 2 2 2 2 1 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 6 2 1 1 1 1 1 1 1 1 1 1 3 2 2 1 1 2 1 1 1 2 11 14 28 4 1 2 1 1 1 1 2 2 5 4 2 1 1 1 1 1 1 5 1 3 2 2 1 1 1 1 1 1 1 7 2 1 1 1 1 1 1 1 1 1 3 2 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 3 2 1 2 1 1 1 4 5 2 3 2 1 3 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 5 14 7 4 2 2 2 1 0 32 100 18 4 1 0 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 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; 1HNMR: 83 83 d 1H J 21 \| 82 82 d 1H J 21 \| 80 80 dd 1H J 21 63 \| 77 76 dd 1H J 23 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(/C=C/C=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)N1CCSCC1	ir: 1 1 1 1 1 1 1 2 2 2 2 1 1 2 1 14 0 2 2 6 7 2 2 0 0 1 1 1 1 2 2 2 1 3 5 7 5 7 4 2 3 2 0 1 1 0 1 1 1 1 1 4 2 1 25 29 5 4 3 3 3 5 2 0 1 1 4 2 1 2 2 3 1 1 1 0 1 3 3 2 11 12 6 5 3 1 4 4 3 2 2 1 0 1 1 1 1 1 24 22 17 4 1 1 0 1 2 4 4 4 4 7 40 5 3 3 5 3 4 8 6 5 4 4 5 6 4 8 5 5 2 3 2 1 2 2 6 5 4 3 2 1 1 1 1 2 4 4 11 22 11 3 5 5 0 1 2 0 0 1 0 0 1 2 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 2 2 1 1 2 2 3 6 28 17 20 100 18 3 4 2 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dq 4H J 14 109 \| 76 75 m 4H \| 74 73 m 1H \| 72 71 dd 1H J 13 86 \| 66 65 dd 1H J 13 154 \| 37 36 m 4H \| 29 28 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC[C@@H](Cn2c(-c3ccc(Br)cc3)n[nH]c2=O)C1	ir: 4 6 4 4 3 3 5 4 21 29 19 6 12 3 3 2 1 2 2 5 2 1 2 1 1 2 2 2 1 1 2 2 1 2 2 5 10 87 7 0 1 3 2 1 4 4 6 2 3 4 3 3 5 8 3 5 21 17 5 1 7 10 27 9 7 3 5 5 9 8 3 2 4 3 3 3 5 2 1 1 1 2 1 5 2 2 2 5 8 9 4 3 3 3 2 3 3 5 2 2 2 6 15 22 32 12 13 19 10 6 9 7 27 28 16 11 31 29 6 27 22 12 10 20 14 10 10 29 8 19 28 18 19 7 14 7 3 1 1 2 2 1 1 2 4 5 10 4 16 10 2 3 8 1 1 2 2 1 1 2 1 1 1 2 3 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 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 2 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 1 2 2 1 1 2 2 2 2 2 2 2 1 2 2 3 3 5 6 10 6 6 4 3 6 13 12 5 9 13 15 29 100 47 13 25 7 15 7 4 3 3 3 1 2 2 2 1 2 2 1 1 5 57 18 2 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 s 1H \| 79 78 m 2H \| 76 76 m 2H \| 42 41 ddd 1H J 8 56 111 \| 39 39 m 1H \| 37 37 m 1H \| 36 36 dddd 1H J 17 55 74 122 \| 35 34 m 2H \| 25 24 m 1H \| 20 19 m 1H \| 18 17 m 1H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(OCC(F)(F)F)n2)C1	ir: 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 2 2 3 2 1 3 1 2 2 1 1 1 1 0 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 0 1 2 1 1 2 6 34 8 10 2 1 1 2 1 1 2 2 2 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 4 3 2 3 2 3 7 2 1 1 1 1 3 1 1 3 12 3 2 1 1 1 2 1 1 1 5 1 1 1 1 1 1 1 0 1 1 0 1 2 1 1 1 1 2 2 23 5 1 2 55 9 100 7 2 0 0 1 1 7 1 1 1 0 1 1 2 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 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 3 1 1 1 1 1 1 1 1 3 1 3 8 3 2 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 2 6 23 2 1 1 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; 1HNMR: 92 91 s 1H \| 76 76 t 1H J 22 \| 75 75 ddd 1H J 13 22 73 \| 75 74 dd 1H J 74 103 \| 73 73 ddd 1H J 12 21 103 \| 50 49 q 2H J 130 \| 43 43 d 2H J 7 \| 38 38 t 2H J 55 \| 29 29 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc(NC(C#N)c2ccc(Cl)cc2)cc1	ir: 2 2 4 4 8 5 38 28 20 6 28 10 9 5 0 21 7 6 2 2 2 3 2 2 1 5 2 2 1 2 3 3 3 4 2 2 2 2 2 1 2 2 1 1 1 2 2 2 4 3 3 2 4 20 39 98 9 3 4 4 2 1 2 2 2 2 3 4 3 8 2 2 2 1 4 3 3 2 3 1 1 2 2 2 2 2 4 4 7 1 2 2 8 12 6 3 7 4 3 3 2 2 8 4 8 8 7 2 2 6 10 8 4 5 7 4 6 4 7 5 2 2 2 2 5 4 6 3 1 2 1 1 1 2 2 2 1 12 14 61 15 6 2 2 3 4 80 24 54 26 29 11 7 29 3 2 2 1 1 2 2 2 29 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 1 3 3 2 3 4 4 2 9 35 86 100 13 10 17 9 4 0 3 4 1 0 2 3 1 1 2 3 2 1 3 6 9 16 15 52 39 10 3 2 3 2 4 2 3 3 3 4 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; 1HNMR: 75 75 m 2H \| 73 73 m 2H \| 72 72 m 2H \| 68 67 m 2H \| 61 60 m 1H \| 41 41 d 1H J 71 \| 25 25 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1cc(F)cc(CO)c1OCCOC	ir: 22 14 9 25 32 21 54 38 28 26 9 13 16 25 28 10 10 9 7 7 5 9 11 8 7 11 6 7 7 3 2 4 4 7 5 6 4 3 4 6 12 4 24 7 4 2 4 6 17 37 9 10 8 10 8 7 4 12 8 8 19 11 13 7 15 35 45 86 55 34 38 14 9 6 8 3 3 9 12 8 7 18 10 16 12 32 19 98 90 65 31 100 75 13 23 19 22 5 8 12 4 2 7 6 2 3 8 4 1 3 5 8 2 5 10 3 0 4 6 4 1 6 9 7 3 4 9 13 6 4 4 2 1 3 3 2 2 28 27 3 1 4 3 1 1 3 7 6 1 3 3 1 1 3 3 9 2 4 3 2 23 5 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 3 0 2 4 3 1 2 4 2 1 3 5 3 1 2 4 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 2 2 3 3 1 2 4 3 1 6 6 6 2 3 4 3 1 6 13 13 9 37 92 47 6 5 6 5 5 41 57 12 4 4 4 2 2 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 69 69 ddt 1H J 9 19 121 \| 67 66 dd 1H J 22 121 \| 46 46 dd 2H J 8 58 \| 43 42 t 2H J 49 \| 42 41 t 2H J 49 \| 40 39 t 1H J 58 \| 38 37 t 2H J 49 \| 37 37 t 2H J 49 \| 34 34 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)c2oc(NCCCC(=O)O)nc2c1C#N	ir: 3 9 8 3 9 6 5 9 7 10 22 50 6 18 11 7 10 22 28 26 100 46 67 21 13 1 1 5 7 4 5 9 6 5 5 5 3 2 4 8 18 2 3 5 5 2 5 6 7 2 6 4 2 1 2 5 5 2 3 4 3 3 4 4 4 3 4 7 14 2 3 4 3 3 4 10 18 18 20 14 8 3 6 5 5 12 19 15 7 6 8 7 7 12 5 6 3 3 5 3 3 4 3 3 2 4 3 4 11 4 9 6 7 7 8 5 10 5 10 5 2 6 10 10 12 10 17 4 3 6 4 3 6 34 21 14 7 3 6 4 29 18 21 44 24 87 18 31 5 5 4 2 2 3 2 1 5 4 2 1 3 4 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 1 1 2 2 6 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 4 3 5 6 4 3 2 2 4 5 2 3 14 20 10 6 17 13 1 2 5 2 1 2 4 7 30 18 5 3 2 3 4 4 3 3 3 2 3 12 55 42 27 21 9 4 3 3 3 2 1 2 2 1 2 2 2 1 2 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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: 75 74 m 4H \| 74 73 m 1H \| 62 61 t 1H J 48 \| 37 36 m 1H \| 36 36 td 2H J 48 78 \| 36 35 ddd 1H J 46 64 113 \| 35 34 m 2H \| 31 30 ddtd 1H J 15 32 51 69 \| 24 23 m 5H \| 23 23 d 6H J 15 \| 21 21 m 1H \| 20 19 m 2H \| 18 18 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1O[C@@H]2CCC[C@@H]2N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1	ir: 1 3 7 5 3 5 7 6 4 4 6 3 2 4 6 10 4 6 7 6 4 7 7 2 2 5 4 6 8 7 7 5 2 6 5 3 5 10 13 6 4 7 7 4 14 24 26 8 10 8 9 7 29 33 22 9 44 49 31 29 79 24 19 7 5 10 4 4 5 9 12 30 11 9 8 4 14 21 4 2 9 13 16 39 55 11 5 4 11 18 20 11 16 16 9 7 9 5 3 6 13 18 21 36 31 66 38 23 21 33 12 54 54 57 22 11 32 8 2 5 17 31 41 15 14 12 7 22 10 16 40 17 13 5 4 4 4 4 40 6 4 7 5 7 10 42 6 33 28 11 10 26 33 21 7 28 8 1 3 5 4 1 2 5 5 0 3 6 4 3 25 6 6 24 5 6 3 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 3 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 4 4 1 2 5 3 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 4 5 1 1 4 4 3 2 4 5 1 1 4 4 2 2 5 5 2 3 6 4 5 5 14 16 4 16 15 12 5 18 35 12 11 100 24 98 78 98 56 16 6 10 9 9 12 26 20 37 14 9 4 5 3 6 5 4 3 3 3 3 3 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 2 2 4 3 2 3 4 3 2 3 4; 1HNMR: 88 88 d 1H J 70 \| 86 86 s 1H \| 83 83 d 1H J 24 \| 81 80 m 2H \| 78 77 m 2H \| 73 72 d 1H J 70 \| 51 51 m 1H \| 43 42 tdd 1H J 17 24 42 \| 22 21 m 1H \| 20 16 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N1CCC(O)(C#N)CC1	ir: 6 11 10 7 6 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 1 1 1 1 2 1 1 2 3 19 2 1 1 3 2 7 15 5 5 5 4 8 4 3 1 3 4 4 8 34 15 16 12 3 8 5 3 3 3 3 1 1 3 6 5 3 5 4 4 2 2 2 1 2 3 1 1 2 2 2 2 4 3 1 1 1 2 3 2 1 1 1 1 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 3 4 1 2 1 1 2 2 3 2 4 2 2 6 26 6 4 4 6 1 0 1 3 1 4 17 100 6 7 1 0 2 2 1 1 1 2 2 1 2 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 1 1 1 1 1 1; 1HNMR: 34 34 ddd 2H J 44 70 126 \| 33 33 ddd 2H J 44 71 126 \| 31 31 s 1H \| 29 28 s 2H \| 24 23 ddd 2H J 44 71 117 \| 21 21 ddd 2H J 44 71 117	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1c(C(=O)OCC)n(CC(C)C)c(=O)c2ccc(F)cc12	ir: 7 7 15 17 13 11 7 7 7 12 11 9 11 10 6 7 7 8 7 8 10 9 15 9 7 6 7 6 9 16 26 10 13 8 11 8 8 6 6 6 6 8 6 8 12 26 15 20 12 10 9 10 7 5 7 8 8 7 7 7 10 7 9 8 7 6 8 19 34 9 7 7 7 6 8 13 9 7 8 7 7 8 6 5 6 6 6 5 6 7 7 14 7 6 9 10 11 8 12 6 8 7 8 8 15 11 19 9 16 11 7 9 15 11 16 8 8 13 18 14 9 15 23 17 17 28 24 11 14 11 6 9 8 5 4 9 21 100 16 19 17 33 10 8 5 6 6 6 7 5 6 7 8 19 9 12 18 0 66 0 5 8 6 4 12 7 5 4 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 6 6 5 6 6 7 7 6 7 7 8 8 7 8 8 5 9 10 11 15 29 10 23 44 19 15 9 9 7 6 6 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 79 79 dd 1H J 50 87 \| 76 75 dd 1H J 26 121 \| 75 74 ddd 1H J 27 87 103 \| 42 42 q 2H J 72 \| 41 41 t 2H J 66 \| 38 37 d 2H J 53 \| 21 20 dtt 1H J 55 72 145 \| 18 17 p 2H J 68 \| 15 14 h 2H J 70 \| 10 9 m 9H \| 8 7 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(F)c(Oc2cc(Cl)cc(C#N)c2)c1Cl	ir: 3 4 5 6 8 6 7 4 3 5 6 4 2 4 5 5 4 5 7 7 7 6 6 6 4 4 7 5 5 7 5 4 3 6 10 55 43 5 4 4 4 5 4 3 3 5 4 3 4 5 6 13 19 16 19 4 7 6 4 2 6 7 5 5 5 9 16 37 15 5 11 6 9 7 4 4 6 6 4 3 5 5 3 3 5 5 5 7 5 5 3 5 54 63 6 5 13 11 7 6 5 5 4 4 6 12 20 14 6 4 2 6 7 4 3 4 6 5 4 5 5 4 2 7 8 10 8 28 12 5 3 5 5 3 3 6 5 4 4 6 20 15 4 6 5 3 3 6 6 2 5 17 14 0 2 15 43 100 30 36 26 8 4 2 4 5 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 3 3 4 4 4 4 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 4 5 4 4 4 5 5 4 4 5 4 4 5 6 5 4 5 7 9 9 15 79 60 77 63 41 33 20 9 16 14 5 6 6 4 4 4 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 75 74 t 1H J 21 \| 73 72 dt 2H J 22 104 \| 70 69 dd 1H J 88 101 \| 69 69 ddq 1H J 9 47 88 \| 24 23 d 3H J 10	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(CCCC=C(Br)Br)CC1	ir: 4 4 3 7 9 11 1 5 8 7 25 22 6 3 2 5 2 2 1 2 1 1 2 8 2 1 0 1 1 1 1 1 1 1 1 1 1 1 6 2 1 1 4 1 1 1 1 5 1 1 1 1 1 3 2 3 7 5 2 1 2 3 6 4 13 4 2 1 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 2 2 2 3 2 1 1 2 1 1 1 3 2 1 1 1 2 3 2 2 2 1 7 7 6 6 12 7 4 26 20 5 11 24 5 8 11 24 20 6 6 3 6 5 5 3 9 2 1 5 8 7 13 6 2 1 2 1 1 2 1 1 1 1 0 4 100 4 2 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 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 1 0 1 1 1 1 2 1 1 2 3 2 4 2 4 6 2 2 3 3 3 6 20 49 21 15 6 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 62 61 tt 1H J 9 46 \| 37 37 ddd 2H J 58 85 123 \| 34 34 ddd 2H J 58 85 123 \| 21 20 td 2H J 46 77 \| 19 18 ddt 2H J 58 86 126 \| 17 16 ddt 2H J 57 84 124 \| 15 15 m 1H \| 15 14 m 2H \| 15 14 s 9H \| 13 13 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)Nc2cnc(Oc3cnc4ccccc4c3)c(Cl)c2)cc1F	ir: 3 3 4 5 5 4 8 4 7 5 5 9 3 6 7 6 4 3 11 17 5 5 4 8 7 7 10 6 8 3 8 8 8 9 5 11 10 23 14 14 9 12 23 21 4 5 4 12 27 18 7 4 4 6 20 4 3 3 3 4 6 10 3 2 20 4 5 7 7 9 4 3 2 2 2 2 7 3 4 2 3 6 5 11 7 100 7 3 3 5 4 4 10 25 7 5 4 3 6 8 6 3 4 6 36 10 12 3 3 3 2 3 4 3 3 3 4 4 3 22 4 5 0 14 10 4 11 11 11 10 5 26 27 11 4 3 4 11 4 3 2 4 8 8 4 24 9 5 7 3 3 4 27 8 4 7 4 5 3 3 3 2 2 2 2 2 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 4 6 6 12 77 20 8 5 4 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 3 3 3 3 6 13 68 10 8 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; 1HNMR: 92 91 s 1H \| 87 87 d 1H J 16 \| 83 83 d 1H J 16 \| 79 79 m 1H \| 78 77 m 1H \| 77 76 m 2H \| 76 75 m 3H \| 75 75 td 1H J 13 83 \| 74 73 ddq 1H J 10 47 102 \| 23 23 dd 3H J 11 35	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCSC(=O)c1cc(C#N)c(N2CCC(C(=O)O)CC2)nc1CN1CCCC1=O	ir: 0 4 18 4 4 6 5 4 6 6 8 10 5 26 11 31 9 27 22 9 25 90 12 42 19 6 13 3 3 12 2 4 7 5 6 13 3 3 3 10 8 14 14 22 16 3 3 3 4 6 8 11 3 2 4 12 9 10 6 7 3 1 3 4 5 10 9 8 4 2 3 5 2 4 6 9 12 14 66 100 6 11 28 8 13 11 3 5 7 17 38 6 2 2 3 4 6 6 16 4 9 3 4 3 10 20 4 8 8 13 12 8 21 7 12 13 9 8 7 11 9 15 11 17 11 23 19 19 6 2 9 3 4 3 5 7 5 12 13 34 35 23 10 16 7 15 12 8 18 31 24 15 5 1 1 2 1 1 2 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 7 7 8 5 4 8 4 3 4 13 20 8 6 8 16 2 2 2 1 1 2 3 6 22 15 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 s 1H \| 48 47 s 2H \| 38 37 ddd 2H J 63 91 137 \| 36 35 m 4H \| 31 30 q 2H J 63 \| 26 25 p 1H J 58 \| 24 23 m 4H \| 21 20 dddd 2H J 57 64 91 124 \| 20 20 m 2H \| 14 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)OC(=O)C(CC(=O)NCCCCCC(=O)Nc2cccc(-c3ccccc3)c2)O1	ir: 0 2 0 2 2 7 3 4 4 1 3 3 2 2 1 2 3 2 3 4 6 4 2 2 3 12 6 3 5 9 9 7 13 7 7 4 8 7 4 11 5 44 16 14 16 4 11 17 63 10 8 3 3 2 6 1 3 8 2 0 3 3 2 2 1 2 6 3 7 16 22 4 3 8 14 3 1 2 3 1 1 2 3 1 1 0 1 1 0 0 1 2 4 3 1 2 4 2 3 3 2 4 7 10 5 6 7 4 2 2 2 3 3 3 7 11 13 8 13 5 0 8 8 4 4 9 6 9 8 11 4 1 1 1 2 8 1 3 3 1 29 15 13 6 50 100 59 47 21 10 4 22 4 18 5 6 2 2 2 23 3 0 0 3 7 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 1 1 1 0 2 7 2 2 2 3 5 4 4 16 14 16 16 74 29 7 4 1 1 0 1 2 2 1 2 2 3 0 1 2 1 1 5 5 20 19 58 69 55 11 8 3 3 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 s 1H \| 78 77 q 1H J 15 \| 77 76 m 1H \| 75 75 m 2H \| 75 73 m 5H \| 72 71 t 1H J 48 \| 47 46 t 1H J 57 \| 31 31 td 2H J 47 55 \| 28 28 dd 1H J 57 169 \| 26 25 dd 1H J 57 169 \| 23 22 t 2H J 83 \| 17 16 tt 2H J 71 83 \| 16 16 s 2H \| 16 15 m 2H \| 15 15 s 3H \| 14 13 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCOC4)ccc2n1	ir: 2 2 1 1 2 1 2 2 1 1 1 5 2 6 1 3 11 1 3 4 1 2 4 1 2 1 1 3 0 1 1 1 2 2 3 2 3 1 3 14 4 2 2 3 4 1 4 3 12 5 7 8 31 21 47 44 33 7 12 6 16 3 5 7 1 3 2 3 3 4 1 1 2 3 52 4 3 1 3 1 1 1 2 2 6 3 5 9 39 3 1 1 2 1 4 1 1 2 2 2 18 6 1 2 6 2 1 2 1 2 6 15 6 6 1 2 5 2 6 4 9 4 5 17 14 11 12 4 5 4 8 8 9 18 9 4 1 1 2 8 11 4 1 1 2 1 6 6 23 14 8 3 2 2 2 1 1 0 1 2 0 0 0 0 0 0 0 0 0 10 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 1 2 1 2 6 6 13 3 2 2 2 3 6 20 100 11 28 87 36 10 1 1 3 3 2 2 2 7 5 2 1 4 6 5 2 3 3 2 3 8 8 3 1 1 1 1 1 1 0 0 1 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 d 1H J 81 \| 77 77 m 2H \| 75 75 d 1H J 79 \| 72 71 m 3H \| 60 59 s 2H \| 46 45 s 2H \| 45 44 t 2H J 34 \| 39 38 t 2H J 34	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)Cc2c(ccc(F)c2C(=O)NS(C)(=O)=O)NC1c1cccc(N2CCOCC2)c1	ir: 3 28 14 39 26 11 17 6 4 6 4 5 4 5 4 5 4 1 1 3 9 9 8 7 6 10 4 3 10 32 35 22 16 17 6 10 4 6 8 11 13 6 3 3 4 3 16 7 14 10 4 4 4 2 20 3 4 3 5 5 12 6 4 3 7 10 8 13 13 46 11 6 12 12 5 3 1 1 2 3 2 3 3 3 5 5 23 23 18 4 8 15 7 2 3 3 4 6 8 19 13 11 9 27 20 16 6 3 5 8 2 3 4 1 2 2 1 6 4 7 6 15 32 34 8 8 4 5 5 5 5 7 15 11 11 9 34 36 12 12 49 83 5 26 12 10 19 26 18 16 7 2 3 9 5 28 8 4 3 1 5 10 3 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 3 11 7 2 2 3 3 3 3 2 3 2 4 2 8 27 17 19 58 54 8 6 8 3 2 2 2 1 1 1 1 1 1 3 3 2 1 4 5 4 18 12 96 100 16 8 5 4 3 2 2 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 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 78 77 s 1H \| 73 72 m 2H \| 71 70 ddt 1H J 9 20 73 \| 70 70 ddd 1H J 12 22 71 \| 69 68 dd 1H J 48 81 \| 68 68 td 1H J 8 22 \| 51 50 d 1H J 77 \| 45 44 dtdd 1H J 8 16 21 76 \| 39 38 m 4H \| 34 34 m 4H \| 33 33 s 2H \| 33 32 d 1H J 163 \| 32 31 d 1H J 163 \| 11 11 d 3H J 16 \| 11 10 d 3H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1cc(Br)c2c(c1)NCCO2	ir: 10 49 16 22 7 2 1 2 2 4 2 3 4 3 26 28 6 1 0 3 3 1 1 2 12 13 4 3 3 3 1 2 2 6 7 2 3 3 8 3 3 1 3 4 4 1 3 4 3 2 1 3 2 1 4 3 2 0 1 3 1 4 9 4 4 0 50 44 7 4 6 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 2 3 4 3 13 86 18 4 12 24 9 2 3 3 13 72 7 5 4 2 3 4 10 9 3 5 3 7 9 4 2 4 4 28 13 1 3 3 3 4 9 42 99 18 3 1 1 3 15 7 57 7 6 2 2 68 14 2 2 1 2 2 1 6 2 2 1 1 3 48 7 2 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 3 2 3 2 3 3 2 6 2 2 2 2 2 3 5 7 6 18 44 25 3 2 4 2 1 4 8 4 2 2 3 2 5 7 7 2 2 5 6 19 13 72 100 36 17 24 35 5 2 2 2 3 3 4 3 2 1 2 3 3 2 3 2 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 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 1; 1HNMR: 76 75 dq 1H J 9 19 \| 71 70 dq 1H J 9 18 \| 53 52 t 1H J 40 \| 43 43 m 2H \| 36 36 dt 2H J 32 40	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2c(n1C(=O)OC(C)(C)C)CN(C(=O)OCC(Cl)(Cl)Cl)CC2	ir: 6 4 3 5 7 16 22 8 7 7 34 10 6 17 9 4 10 6 15 12 3 2 3 2 2 7 2 2 2 4 5 1 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 2 2 4 3 2 6 4 7 6 2 4 4 2 2 2 3 10 8 12 4 2 2 2 2 1 2 3 6 2 2 2 9 3 3 3 4 3 3 2 2 1 3 8 16 4 2 5 2 2 2 2 2 2 2 3 5 7 8 11 7 17 12 83 33 12 12 7 6 5 3 6 5 6 7 7 6 7 3 2 2 2 2 2 2 2 3 5 2 1 15 9 15 10 5 7 100 6 0 16 2 2 1 1 2 5 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 2 3 3 2 6 6 4 3 4 2 3 3 5 17 28 4 3 5 5 4 5 3 2 2 2 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 68 68 d 1H J 9 \| 48 48 s 2H \| 47 47 s 2H \| 44 43 q 2H J 64 \| 37 37 t 2H J 45 \| 30 29 dtd 2H J 8 43 51 \| 16 16 s 8H \| 14 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccccc1-c1ccc(C(=O)Nc2ccc3cccnc3c2)cc1	ir: 1 1 4 4 1 1 1 1 1 1 1 1 2 1 2 4 3 3 2 3 10 6 6 10 7 9 3 2 3 5 2 9 11 9 6 2 5 5 32 29 11 46 66 36 6 5 32 28 9 4 1 2 1 1 5 11 15 18 1 3 4 6 15 14 2 4 9 8 8 35 5 4 7 2 1 2 3 2 1 1 1 1 1 2 3 7 5 1 1 2 3 2 1 1 3 5 8 16 6 8 5 2 3 3 2 7 6 4 4 3 2 1 2 2 1 1 2 1 3 3 2 4 4 6 7 16 9 33 18 4 2 1 1 2 7 8 18 10 5 4 9 11 19 100 20 17 21 11 17 6 8 10 2 5 12 35 84 81 8 5 2 1 1 1 1 0 7 5 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 0 0 0 1 1 1 1 2 1 0 1 2 1 1 1 3 1 1 2 5 7 16 38 89 36 17 16 1 3 3 1 0 2 2 1 1 2 2 1 1 1 2 1 2 3 6 24 42 24 10 6 3 2 1 1 1 1 1 0 0 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 0 0 0 0; 1HNMR: 99 98 s 1H \| 88 88 dd 1H J 16 40 \| 87 86 d 1H J 25 \| 81 80 m 2H \| 80 80 m 2H \| 78 78 m 2H \| 78 77 m 3H \| 76 76 ddd 1H J 15 75 86 \| 75 74 td 1H J 13 77 \| 73 73 dd 1H J 42 77 \| 24 24 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CCc2cccnc2CC(O)c2ccccc2)cc1	ir: 12 5 7 13 4 12 7 6 4 8 4 5 5 9 12 14 18 12 5 3 4 5 3 2 3 3 10 5 4 4 10 15 8 4 5 4 7 12 17 6 49 62 8 9 4 8 3 4 3 1 5 3 5 7 7 12 20 16 6 6 3 7 12 4 8 2 3 2 6 9 8 6 3 2 2 7 2 2 8 2 4 2 5 9 5 5 13 30 29 39 42 14 14 11 2 3 4 5 4 6 14 3 1 1 3 3 1 2 6 3 4 4 8 7 4 39 10 10 9 9 6 25 9 5 8 29 13 5 3 2 4 3 5 9 12 31 27 14 21 20 4 6 22 40 46 7 14 13 3 13 9 11 16 11 19 5 13 3 1 0 1 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 2 2 1 2 2 2 4 4 3 4 4 3 4 7 8 12 30 37 41 32 20 15 9 9 23 22 100 25 7 3 3 2 1 1 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 21 45 \| 80 79 m 2H \| 74 73 m 6H \| 72 72 m 3H \| 51 51 q 1H J 67 \| 39 39 s 2H \| 34 33 dd 1H J 68 168 \| 33 32 d 1H J 60 \| 31 31 dd 1H J 70 169 \| 30 29 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNC(=O)c1ccc(Nc2ccccc2)cc1	ir: 2 2 2 2 5 5 6 7 3 4 3 2 4 2 0 4 4 9 21 3 24 3 4 4 3 0 1 3 3 13 5 4 2 2 3 4 3 7 13 25 100 44 6 10 9 4 4 3 2 1 1 2 1 2 2 14 11 6 2 2 1 1 1 1 1 1 1 2 8 5 4 2 0 2 1 3 1 4 8 3 1 0 1 1 1 1 1 1 2 2 1 1 2 1 1 2 0 1 1 1 0 1 2 1 0 5 83 4 2 2 2 2 2 5 2 2 3 4 4 3 0 4 1 4 3 2 3 2 1 2 3 1 0 2 7 6 0 2 3 1 4 5 14 64 62 48 81 18 1 3 3 4 19 23 9 3 1 1 1 0 1 2 1 0 47 24 2 1 1 0 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 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 0 0 0 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 1 1 1 0 1 1 1 1 1 2 2 2 3 3 6 7 17 55 14 6 10 14 4 2 2 1 2 1 1 1 1 3 2 2 4 1 3 3 3 10 15 24 71 18 8 16 4 3 1 3 2 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 79 78 m 2H \| 73 73 t 1H J 50 \| 72 71 m 2H \| 71 70 m 4H \| 69 68 tt 1H J 11 68 \| 62 62 s 1H \| 31 31 q 2H J 53 \| 15 14 qt 2H J 54 72 \| 9 8 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](Nc1nc(Cl)ncc1Br)C1CCOCC1	ir: 4 2 3 8 7 9 5 3 3 6 3 1 1 1 1 0 2 5 5 3 2 1 1 2 6 1 1 1 1 0 0 1 1 0 0 5 9 37 100 5 4 2 1 1 0 1 1 1 1 1 1 0 1 1 3 1 2 1 1 2 1 1 1 1 0 0 1 1 2 2 1 1 1 4 2 1 1 1 1 1 1 1 1 3 3 1 0 0 0 0 0 0 0 0 1 1 0 2 1 0 0 0 1 1 1 1 2 2 3 3 5 5 13 6 1 2 1 1 2 2 2 6 2 7 9 12 2 2 3 2 3 6 8 2 1 1 1 9 12 1 1 3 6 2 2 1 1 0 1 3 5 82 42 4 5 8 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 1 1 1 1 1 1 2 1 2 2 5 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 2 2 2 2 5 5 44 59 4 8 2 1 2 3 3 2 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 83 83 s 1H \| 60 59 d 1H J 73 \| 39 38 dp 1H J 61 73 \| 37 36 ddd 2H J 28 56 110 \| 35 34 ddd 2H J 28 55 110 \| 19 18 m 3H \| 16 15 dtd 2H J 28 58 143 \| 13 12 dd 3H J 14 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2cc(NC(=O)C3CC3)ncc2cc1-c1ccc(F)c(N)c1	ir: 23 34 26 9 11 12 6 7 5 5 7 4 6 5 5 7 10 8 4 5 4 2 4 4 4 5 8 6 4 4 4 10 6 4 3 7 9 16 15 20 17 9 5 6 5 7 10 11 9 3 3 2 3 4 9 19 16 4 3 4 2 2 4 11 9 8 6 24 64 66 16 4 2 3 2 2 3 4 10 6 4 4 2 4 9 4 7 15 16 26 7 4 3 2 4 11 3 2 1 4 3 2 3 3 3 3 10 4 2 3 2 2 2 2 2 3 9 10 3 3 2 2 2 2 2 3 3 2 2 2 3 4 14 5 4 6 7 2 4 3 5 6 3 9 17 9 18 11 44 28 15 12 51 56 16 11 43 70 100 46 6 4 16 17 3 0 4 68 8 5 2 1 2 2 1 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 2 3 2 3 3 2 2 2 2 4 4 3 6 5 6 14 13 19 50 28 2 13 5 4 3 5 5 2 2 2 2 2 1 3 5 3 40 39 6 6 8 14 64 54 8 5 4 11 99 63 28 9 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 2 2 2 2 2 2 2 1 1 1 2 1 1 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 2 1 1 1 1 1 1; 1HNMR: 88 88 d 1H J 17 \| 85 85 s 1H \| 85 84 d 1H J 18 \| 72 72 dd 1H J 82 101 \| 71 71 ddd 1H J 21 39 80 \| 69 69 dd 1H J 22 35 \| 45 45 d 2H J 33 \| 28 27 s 3H \| 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.
Cc1ccc(/C=C/c2cccc(CCCN3C(=O)c4ccccc4C3=O)c2)c(C)c1	ir: 2 2 2 3 3 3 3 2 2 2 2 2 2 2 2 4 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 5 3 3 4 3 3 4 5 22 9 3 3 3 3 3 6 5 5 5 5 4 6 5 4 6 2 3 2 3 3 3 3 2 3 3 4 3 3 3 4 3 3 4 4 5 3 3 3 2 3 4 2 3 3 3 3 3 3 3 3 2 3 2 3 3 4 3 3 4 3 3 5 3 3 3 2 3 2 3 3 3 2 3 3 3 3 2 4 3 8 7 4 3 4 5 3 3 4 4 3 4 8 3 3 3 4 5 16 3 3 4 4 3 2 2 2 3 2 3 3 4 4 0 100 2 3 3 3 9 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 2 2 3 3 3 4 5 7 5 39 15 3 3 4 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 79 78 dd 2H J 31 51 \| 77 77 dd 2H J 31 51 \| 75 74 ddt 1H J 9 19 81 \| 73 72 dd 1H J 74 81 \| 72 72 td 1H J 10 21 \| 72 71 m 2H \| 71 70 m 3H \| 69 68 dd 1H J 7 158 \| 37 36 t 2H J 60 \| 27 27 tt 2H J 9 77 \| 24 23 s 3H \| 23 23 s 3H \| 21 20 tt 2H J 59 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(C)cc(CC)c1C1C(=O)CC(CC2OCCO2)CC1=O	ir: 4 4 5 8 5 5 12 5 6 5 5 10 13 37 13 28 23 8 5 12 9 3 7 8 22 12 19 9 22 3 1 5 3 1 2 5 3 1 2 4 3 0 2 6 4 2 4 9 36 15 12 5 7 2 3 7 4 3 6 22 24 15 20 7 4 5 12 14 14 4 9 7 31 13 15 12 14 23 14 17 7 6 3 3 3 4 8 5 5 4 4 5 5 4 10 25 9 6 10 11 10 24 27 11 6 11 17 12 26 22 15 10 8 12 20 20 17 14 32 26 30 21 12 8 3 9 16 7 5 6 6 5 6 12 22 14 3 6 6 6 8 11 47 36 43 33 65 62 30 23 4 3 3 5 3 1 3 5 3 1 2 14 8 2 2 4 2 1 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 2 1 3 3 2 1 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 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 2 1 3 3 2 2 3 3 2 2 3 3 2 3 4 5 6 4 6 8 10 10 14 13 13 27 19 14 26 21 28 24 39 50 100 21 6 4 7 4 2 4 4 3 1 3 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 2 3 3 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; 1HNMR: 69 68 s 2H \| 50 50 t 1H J 43 \| 45 45 s 1H \| 40 39 m 2H \| 38 38 m 2H \| 29 28 dd 2H J 74 157 \| 27 26 m 5H \| 26 25 dd 2H J 75 157 \| 23 23 s 3H \| 19 18 dd 2H J 43 83 \| 13 12 t 6H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=N)c1ccc2[nH]nc(-c3ccc4cc(OCC5CCC(=O)N5C)ccc4c3)c2c1	ir: 6 7 8 9 6 8 8 3 4 9 7 12 6 7 6 13 6 19 21 10 16 18 8 7 8 5 5 2 3 4 10 11 6 5 5 5 31 40 13 3 4 4 3 4 5 7 10 2 3 5 3 1 3 11 26 25 7 2 6 1 5 13 6 1 4 5 5 10 17 32 37 10 5 5 8 5 4 9 6 5 21 10 2 4 4 3 3 4 5 9 9 6 8 3 4 2 3 4 3 5 13 8 1 10 10 4 3 5 9 26 13 7 9 17 5 5 5 4 27 7 14 5 16 7 13 16 8 19 11 42 5 9 7 10 4 19 23 3 1 3 4 5 18 8 12 12 6 28 16 15 3 3 3 2 2 11 20 14 32 3 2 0 1 3 9 1 2 4 2 0 1 3 1 0 2 3 1 1 2 3 1 0 2 2 1 0 2 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 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 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 3 2 1 2 3 4 1 4 5 2 3 4 5 4 6 10 10 38 100 24 8 5 5 4 3 1 1 2 3 1 1 2 3 9 16 10 2 1 1 2 4 4 4 3 16 34 13 3 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 84 84 d 1H J 14 \| 84 83 t 1H J 21 \| 79 78 m 3H \| 77 77 dd 1H J 15 73 \| 77 76 d 1H J 73 \| 74 74 s 1H \| 70 70 m 2H \| 43 43 dd 1H J 49 112 \| 43 42 q 2H J 60 \| 41 40 dd 1H J 49 112 \| 40 39 ttd 1H J 15 49 62 \| 29 29 d 3H J 15 \| 26 25 ddd 1H J 45 64 139 \| 25 24 ddd 1H J 46 64 139 \| 20 19 dtd 1H J 45 62 124 \| 17 17 dtd 1H J 46 61 123 \| 13 13 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)cn1	ir: 4 4 3 5 6 6 10 5 8 2 7 7 14 4 4 5 6 3 5 4 5 4 4 3 2 3 3 3 9 6 6 3 7 15 32 4 9 6 10 5 47 17 7 7 5 4 4 3 3 1 4 4 2 1 3 12 13 4 4 0 4 2 2 4 6 6 5 8 11 30 4 5 4 5 5 11 2 3 8 18 1 1 2 3 13 3 3 6 23 20 4 4 3 6 2 5 7 4 6 9 8 4 12 4 3 7 22 9 14 15 5 7 13 17 2 4 4 3 10 8 12 4 14 11 5 6 1 4 5 2 4 7 10 18 9 26 8 37 36 20 5 11 5 6 4 5 10 7 4 4 4 7 18 10 10 26 35 4 2 1 1 2 2 1 9 9 2 1 8 3 1 1 1 1 1 1 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 2 2 3 7 4 3 1 6 9 10 5 4 9 4 6 4 28 28 69 89 100 25 15 6 4 4 5 2 1 2 1 1 2 2 2 2 2 2 2 3 2 2 5 17 63 15 14 5 3 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; 1HNMR: 89 89 s 1H \| 86 85 s 1H \| 85 84 d 1H J 19 \| 84 84 dd 1H J 19 80 \| 78 78 m 2H \| 75 75 d 1H J 81 \| 75 74 m 2H \| 74 74 ddt 1H J 13 66 80 \| 71 71 s 1H \| 38 37 m 5H \| 36 35 t 4H J 49 \| 22 22 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cccc(C(=O)OC)c1SCc1ccccc1	ir: 16 13 8 8 12 20 8 16 13 11 34 19 14 17 17 11 10 12 12 8 8 12 42 22 11 17 7 8 9 26 11 9 7 10 20 17 43 19 12 14 10 36 12 7 9 5 10 43 30 8 7 5 6 5 5 6 5 5 5 6 6 5 6 6 6 5 8 11 7 10 8 7 8 7 7 10 10 14 9 6 6 5 6 6 6 6 7 16 12 8 6 5 5 4 6 8 4 69 9 7 6 6 5 5 5 5 5 6 7 8 15 10 24 14 12 9 13 11 8 10 9 9 5 11 14 31 15 7 15 15 15 8 9 6 11 55 0 12 13 25 39 16 42 55 25 43 30 18 10 25 35 30 12 6 5 6 6 5 14 16 6 5 5 5 6 5 5 5 5 4 5 5 5 5 5 5 5 5 5 5 4 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 4 5 5 4 4 4 5 4 4 4 5 5 4 5 5 4 5 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 9 6 7 6 5 6 7 9 12 19 29 57 41 100 39 9 9 11 16 7 8 6 6 7 8 6 6 6 6 6 10 9 11 12 14 16 29 58 67 89 25 5 9 8 16 10 6 5 6 9 5 5 5 4 5 5 5 4 5 6 5 4 5 5 5 4 5 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 5 5 5 5 5 5 5 5 4 4 5 5 5 5 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4 4 5 5 4; 1HNMR: 78 78 dd 1H J 12 74 \| 74 73 m 4H \| 73 72 m 2H \| 69 69 dd 1H J 11 77 \| 60 60 q 1H J 48 \| 41 41 d 2H J 9 \| 39 39 s 2H \| 30 30 d 3H J 48	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCCCOS(C)(=O)=O)c(OC)c1	ir: 52 17 10 7 27 23 8 12 11 15 5 4 4 2 4 3 2 1 1 3 4 2 6 3 3 1 1 2 1 1 1 3 3 3 6 9 5 1 3 3 3 3 4 5 7 3 3 6 3 8 6 20 13 33 25 7 6 9 11 14 4 2 8 22 16 24 31 41 44 13 23 26 38 90 37 8 13 8 4 6 2 3 1 2 4 6 19 100 67 22 14 5 4 4 3 4 4 2 2 2 14 26 33 9 5 4 2 2 0 5 12 5 6 8 4 6 4 5 7 8 7 10 12 4 3 2 4 5 2 3 2 1 1 2 2 1 1 2 2 1 1 3 3 5 6 3 3 1 6 9 12 7 5 9 11 4 3 3 2 2 2 7 27 15 4 4 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 9 13 6 3 5 6 8 4 2 4 5 4 3 8 83 51 29 24 37 43 15 8 4 2 0 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 70 70 dt 1H J 9 83 \| 66 65 dd 1H J 23 83 \| 64 64 d 1H J 22 \| 41 40 t 2H J 64 \| 38 38 d 6H J 59 \| 30 30 s 2H \| 27 27 td 2H J 8 80 \| 18 16 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(NC(=O)CCC(=O)O)c1C	ir: 2 6 6 9 16 7 9 3 4 3 2 4 9 22 12 14 8 26 28 32 62 78 28 23 18 6 4 8 3 5 3 5 8 8 10 7 13 3 8 11 29 43 36 16 12 21 43 34 12 19 5 1 5 6 7 2 3 5 5 5 8 4 3 0 2 3 4 3 3 2 2 3 5 5 6 11 19 21 43 22 9 17 10 9 8 6 7 8 1 4 2 6 6 5 3 3 5 4 5 6 8 4 4 6 3 2 1 2 4 6 4 5 9 8 2 7 9 6 7 9 14 5 11 2 6 3 2 4 4 4 8 7 11 4 5 4 8 7 10 10 11 5 36 100 30 22 28 18 7 6 7 11 23 12 3 3 5 8 13 27 6 1 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 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 3 3 2 2 4 2 3 4 4 5 2 4 4 7 8 14 15 6 31 19 9 2 2 3 3 2 2 7 12 4 2 2 2 3 2 3 3 4 6 8 23 43 47 21 20 9 5 3 2 2 2 2 1 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1; 1HNMR: 87 86 s 1H \| 73 73 dd 1H J 30 61 \| 71 70 m 2H \| 26 26 m 2H \| 26 25 m 2H \| 23 22 s 3H \| 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(CCl)c1ccccc1Br	ir: 8 9 9 8 8 12 9 9 8 8 9 8 8 9 9 9 11 12 38 9 9 9 9 9 10 9 15 17 13 10 11 9 9 11 10 0 29 14 13 14 26 26 39 31 17 16 13 9 9 10 9 8 9 9 8 8 9 9 8 8 9 9 8 9 9 10 10 8 8 8 8 8 9 9 12 10 9 9 8 11 12 11 8 8 16 14 10 9 8 9 8 8 8 9 9 9 25 11 10 9 15 10 8 8 9 9 9 10 11 13 9 10 10 9 9 11 10 9 8 10 10 16 22 27 13 11 10 8 8 9 9 11 21 39 16 14 24 16 9 10 9 9 9 12 46 100 22 13 32 16 9 9 8 9 9 9 8 8 11 10 8 8 8 9 9 8 8 8 8 8 8 8 8 8 8 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 9 8 8 9 9 10 11 13 14 10 9 9 10 11 17 20 11 44 93 81 20 14 11 8 8 9 9 8 8 9 9 8 8 9 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 8 8 8; 1HNMR: 79 78 dd 1H J 16 76 \| 76 76 dd 1H J 15 80 \| 74 74 td 1H J 15 75 \| 74 73 td 1H J 15 76 \| 48 48 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3ccccn3)c2s1	ir: 4 4 6 4 3 5 20 16 9 6 6 4 3 3 6 1 2 3 3 6 5 3 6 4 5 8 4 7 3 8 11 5 3 8 4 2 3 11 22 40 24 11 13 13 11 31 43 22 44 14 9 6 7 6 13 10 7 5 2 1 2 6 4 3 9 11 5 21 14 11 3 3 3 4 2 1 6 6 1 3 3 5 5 6 14 14 6 11 16 8 1 4 5 5 2 2 4 3 1 2 5 12 8 4 22 63 1 3 3 2 1 3 13 4 1 3 6 4 4 3 8 3 3 3 3 6 4 7 11 9 5 5 5 3 3 8 24 4 11 2 2 3 5 68 4 2 6 5 16 3 11 9 36 18 37 9 4 3 3 15 2 1 2 9 18 4 2 4 2 0 2 3 1 0 2 3 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 1 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 3 3 1 1 3 2 0 2 3 2 1 2 3 3 3 14 6 3 61 19 5 4 3 3 4 14 44 4 4 2 1 2 2 1 1 2 3 2 2 8 5 10 100 10 8 5 2 5 3 1 1 2 2 1 1 2 2 0 1 2 2 1 1 3 1 0 1 3 2 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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; 1HNMR: 97 97 s 1H \| 89 89 s 2H \| 86 86 dd 1H J 16 40 \| 84 84 m 2H \| 78 77 m 2H \| 72 72 m 2H \| 38 38 s 1H \| 33 32 qd 2H J 37 61 \| 18 18 s 5H \| 12 12 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2nnc([C@@H]3CC[C@@H]4CN3C(=O)N4O)o2)CC1	ir: 13 8 8 12 8 16 10 8 7 5 5 7 8 6 5 5 4 4 4 4 6 7 9 10 6 3 4 8 7 6 4 5 5 7 14 15 6 4 3 10 12 8 5 4 3 3 5 6 4 2 4 6 3 2 3 4 4 2 5 6 2 1 4 4 6 4 5 6 4 2 3 4 5 3 4 3 4 3 5 12 11 4 11 10 11 24 18 10 15 23 18 12 3 5 3 15 62 44 15 11 6 5 6 4 0 14 9 10 5 3 6 4 9 12 14 10 8 4 6 4 2 6 9 15 17 12 28 10 3 5 13 11 14 5 10 7 5 7 5 3 2 3 4 7 12 30 17 3 2 3 3 2 51 100 7 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 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 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 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 4 3 3 3 6 5 4 4 6 8 5 5 18 12 12 5 4 2 2 2 3 2 2 5 11 8 3 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 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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; 1HNMR: 87 87 s 1H \| 47 46 dd 1H J 54 81 \| 40 39 dtd 1H J 20 39 66 \| 38 38 dd 1H J 20 104 \| 37 36 m 4H \| 35 35 dd 1H J 39 103 \| 32 31 ddd 2H J 39 59 112 \| 30 29 m 2H \| 29 29 s 3H \| 24 23 dddd 1H J 54 62 88 150 \| 23 22 ddt 1H J 64 91 127 \| 21 20 m 1H \| 19 18 dddd 1H J 39 62 90 127	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc(NC(=O)c2csc(-c3ccccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1	ir: 2 3 4 3 1 3 6 1 2 3 5 3 1 5 4 3 3 5 4 9 8 4 5 2 3 4 5 4 7 7 5 2 5 9 6 14 8 12 11 7 8 19 12 30 8 6 8 8 6 7 7 5 5 3 2 1 2 3 6 8 8 4 5 12 21 17 22 8 12 17 25 8 5 10 14 6 10 7 6 11 10 4 5 9 34 9 2 1 4 4 2 2 4 3 2 3 4 3 1 1 3 3 1 1 3 4 4 4 6 3 4 3 4 4 2 4 4 5 1 4 9 5 12 6 8 3 3 7 6 6 4 16 15 12 25 22 15 17 3 7 4 3 17 15 29 3 2 5 33 5 2 5 9 4 2 3 2 0 6 4 2 1 1 2 2 0 2 4 23 3 2 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 3 3 2 4 3 2 4 7 3 3 5 10 7 9 19 10 5 1 3 2 2 1 3 4 2 2 8 9 9 9 5 5 4 4 9 100 51 12 11 23 6 4 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 91 91 s 1H \| 81 81 s 1H \| 77 77 ddd 1H J 12 39 92 \| 75 75 s 1H \| 74 73 m 2H \| 73 72 ddd 1H J 15 83 98 \| 50 49 dd 1H J 54 63 \| 44 44 ddd 1H J 44 51 69 \| 43 42 m 0H \| 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.
Cn1c(-c2cnc(NC(=O)c3ccccc3Cl)s2)cc2ccccc21	ir: 2 2 3 4 8 3 5 13 6 8 3 6 5 2 1 4 2 2 1 5 4 3 2 5 8 2 2 4 4 4 10 8 16 9 9 3 4 8 7 15 70 78 68 11 13 10 16 15 14 6 5 3 5 1 5 4 5 0 2 3 6 1 4 3 2 0 2 9 9 1 4 5 3 3 8 7 3 1 14 6 9 3 5 6 17 3 4 3 5 35 11 6 1 1 4 6 7 1 2 2 1 1 2 3 1 18 3 2 2 1 2 2 1 2 2 2 1 3 4 4 3 3 4 7 0 7 9 2 1 7 2 2 0 3 37 15 52 38 7 5 1 3 4 6 4 15 58 73 47 36 9 63 7 3 16 4 8 2 2 8 4 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2 1 1 1 2 2 1 3 2 2 2 2 4 7 4 10 100 73 24 7 4 4 3 2 2 2 2 2 2 1 1 2 2 1 1 4 6 2 17 12 11 48 18 16 12 15 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 80 80 s 1H \| 78 78 dd 1H J 18 78 \| 77 76 m 1H \| 75 74 m 5H \| 73 72 m 2H \| 65 65 d 1H J 22 \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCNC(=O)c1cc(Cl)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OC	ir: 2 4 5 4 8 7 9 6 2 3 4 8 8 1 1 1 1 1 3 4 3 3 2 2 2 2 2 8 22 4 3 5 4 11 11 4 2 1 5 9 12 15 10 30 100 16 7 5 5 4 2 5 4 5 8 9 6 3 7 2 1 2 4 2 3 2 2 14 24 4 10 3 7 10 7 1 6 2 1 0 2 4 22 11 8 4 2 17 6 2 1 1 3 2 0 1 6 5 6 7 5 6 11 4 3 2 1 1 3 2 1 3 2 2 4 4 4 3 4 2 6 5 4 4 3 4 3 8 6 8 3 7 9 3 4 7 2 3 16 5 2 2 3 7 12 35 34 12 15 1 3 11 5 2 36 6 6 0 1 2 1 0 2 4 9 6 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 2 3 2 2 2 1 1 1 3 1 0 2 3 4 12 23 7 13 22 19 6 4 1 1 2 1 1 1 1 1 0 1 1 1 1 1 2 3 2 3 5 8 25 33 11 7 4 3 2 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 95 94 t 1H J 46 \| 87 86 s 1H \| 80 80 s 1H \| 74 73 m 2H \| 73 73 s 1H \| 69 69 m 2H \| 39 39 s 3H \| 37 37 q 2H J 46 \| 29 29 t 2H J 46 \| 25 25 q 4H J 69 \| 15 15 s 5H \| 11 11 t 6H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncccc2Cl)C1	ir: 12 10 10 3 4 15 9 16 12 16 5 22 4 6 5 8 11 6 7 9 10 4 6 3 2 3 1 1 1 2 1 1 2 3 2 1 5 24 16 20 14 1 2 2 1 3 4 3 2 3 1 2 1 1 1 1 2 2 2 2 3 5 8 2 1 1 1 0 1 0 0 1 1 1 0 0 1 1 3 3 1 1 2 6 5 3 1 1 1 1 1 0 1 1 0 2 13 2 1 1 1 2 3 1 2 1 2 2 1 3 2 3 3 4 11 14 5 6 11 9 7 14 10 10 8 5 5 7 7 8 7 12 4 3 2 3 3 8 32 39 33 4 4 2 2 1 2 2 4 9 63 36 7 3 11 87 18 3 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 2 2 2 1 2 1 3 1 1 2 2 4 3 13 28 1 5 28 10 4 3 1 0 1 1 0 0 1 0 0 1 1 0 1 2 1 2 5 11 27 20 23 100 11 4 4 3 2 2 1 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 dd 1H J 22 46 \| 76 75 dd 1H J 20 81 \| 71 71 dd 1H J 45 81 \| 55 55 d 1H J 90 \| 41 40 ddddd 1H J 24 39 51 66 91 \| 39 38 dd 1H J 24 119 \| 36 35 dd 1H J 51 119 \| 35 34 ddd 1H J 35 60 123 \| 33 32 ddd 1H J 35 61 121 \| 20 19 dddd 1H J 40 64 87 130 \| 19 16 m 3H \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)ON=Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(C)=O	ir: 3 1 3 2 1 2 2 2 1 1 1 2 2 1 1 1 1 1 1 2 1 3 4 2 3 6 9 20 5 2 3 3 6 5 4 1 1 5 14 7 7 13 2 3 1 4 3 2 1 3 2 1 1 1 1 0 1 2 4 1 1 1 2 2 4 4 15 14 3 3 2 1 2 1 1 2 5 1 1 0 1 1 1 1 3 3 10 1 0 0 0 0 1 1 1 1 2 6 8 3 0 0 1 0 0 1 1 4 1 6 1 1 2 3 4 7 2 1 3 1 1 1 1 4 8 4 9 1 1 1 0 1 2 3 1 1 1 1 0 2 3 0 2 25 49 7 3 35 4 25 1 2 2 2 3 21 9 8 9 2 1 2 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 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 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 1 1 0 0 1 1 1 1 2 1 1 1 1 1 2 1 12 4 2 2 1 1 0 0 1 1 1 1 1 1 0 2 2 1 0 3 12 100 5 1 1 5 19 10 11 2 1 10 23 68 6 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H \| 78 78 q 2H J 10 \| 64 64 s 2H \| 60 60 q 1H J 49 \| 28 28 s 3H \| 28 27 d 3H J 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2[nH]nc(S(=O)(=O)c3ccccc3)c2cc1N1CCN(Cc2ccccc2)CC1	ir: 3 3 3 2 3 3 6 6 10 14 23 16 5 12 9 7 22 10 3 9 2 2 6 2 2 3 6 19 6 18 12 12 23 28 42 7 13 10 7 16 21 10 4 9 3 1 2 9 3 1 2 2 2 1 2 3 5 4 3 3 2 2 4 8 11 2 20 25 66 56 5 4 2 1 9 2 4 5 12 4 2 9 30 5 67 39 11 6 2 18 12 5 2 2 4 9 7 12 11 12 21 7 10 3 5 11 6 2 0 2 62 8 7 5 1 3 4 7 3 6 8 6 3 5 2 2 3 2 4 3 2 3 3 6 19 9 3 13 2 2 1 4 21 63 10 3 6 5 2 2 3 8 7 2 1 4 23 6 1 5 4 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 2 2 2 2 4 17 8 17 100 53 26 7 2 2 3 2 2 3 3 2 1 2 5 1 1 2 2 1 1 2 2 2 7 5 8 83 14 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 m 2H \| 79 78 tt 1H J 15 75 \| 76 76 m 2H \| 75 75 s 1H \| 73 72 m 6H \| 71 71 s 1H \| 39 39 s 3H \| 37 37 d 2H J 8 \| 33 33 m 4H \| 32 31 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(F)(F)Cc1cc(C(=O)O)[nH]n1	ir: 0 1 0 1 0 0 0 2 3 3 3 1 0 1 2 1 1 1 4 3 12 6 100 78 2 0 1 1 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 11 11 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 2 3 4 12 15 4 1 0 1 1 1 0 1 1 1 1 9 2 1 0 0 27 1 1 1 1 0 0 0 0 0 2 2 0 0 2 0 0 0 0 0 0 1 5 7 1 1 1 1 0 1 3 7 5 2 0 1 0 0 0 0 0 0 0 0 0 2 1 0 0 0 1 6 21 0 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 5 0 0 1 2 3 3 2 0 0 0 0 3 19 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 5 4 5 1 0 0 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; 1HNMR: 71 70 d 1H J 9 \| 35 34 td 3H J 9 99 \| 22 21 s 1H \| 21 21 s 2H \| 21 20 s 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCN2Cc1ccccc1	ir: 0 7 12 5 6 6 7 7 23 18 7 7 7 3 5 4 12 6 6 4 21 20 13 3 9 6 2 5 5 6 5 3 1 7 3 5 11 14 5 8 10 6 5 5 6 4 5 2 3 5 4 3 1 3 37 12 4 4 2 3 2 2 1 2 2 2 7 10 6 6 46 5 6 8 3 6 5 4 3 1 1 1 2 3 4 5 24 12 40 100 39 10 3 5 8 18 8 2 2 2 3 2 7 5 17 9 4 5 8 2 0 1 3 3 2 1 1 1 1 2 3 4 5 16 16 6 3 3 17 10 7 7 4 2 7 11 9 2 2 1 1 1 7 12 3 2 2 2 1 1 1 3 8 2 2 1 1 1 1 0 0 1 1 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 2 2 2 2 1 2 1 1 1 5 6 5 15 22 17 25 2 0 2 2 1 0 1 1 0 0 1 1 1 1 1 1 3 12 5 2 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dd 1H J 21 87 \| 73 72 m 8H \| 72 71 d 1H J 87 \| 68 68 d 1H J 46 \| 46 46 d 2H J 9 \| 43 42 m 2H \| 36 35 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC(C)C(=O)c1ccc(SC)cc1Br	ir: 9 16 9 33 6 5 3 2 5 5 3 12 10 4 2 3 5 21 11 2 1 1 1 1 2 2 10 7 4 10 22 5 20 8 6 7 18 19 66 8 3 3 2 3 3 2 4 7 21 12 4 8 32 72 92 11 4 7 6 5 3 4 2 36 19 32 50 28 2 1 4 7 12 11 2 7 4 2 1 4 5 10 16 5 10 2 2 2 1 1 1 3 1 2 4 10 14 8 29 13 43 11 9 3 9 13 12 69 79 28 14 10 8 8 19 8 27 19 25 55 47 40 25 12 19 3 6 8 9 10 8 5 17 33 35 5 3 10 76 100 99 20 25 45 16 23 6 8 10 13 28 14 15 1 0 2 1 1 1 9 40 5 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 0 0 0 1 1 0 0 1 1 1 0 0 1 0 1 1 1 1 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 0 0 1 1 1 1 1 1 1 1 3 2 2 1 2 1 2 4 3 7 15 8 11 7 3 11 21 33 20 17 38 52 22 77 74 75 40 32 5 5 3 2 1 2 2 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0; 1HNMR: 78 77 d 1H J 75 \| 75 75 d 1H J 22 \| 73 73 dd 1H J 22 75 \| 38 36 h 1H J 78 \| 37 36 s 3H \| 30 29 dd 1H J 81 163 \| 27 26 dd 1H J 81 163 \| 25 25 s 3H \| 13 12 d 3H J 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]1(Nc2cnc(C(F)(F)F)cn2)CCC[C@@H]1N	ir: 5 3 1 3 4 2 1 6 6 6 1 3 4 10 4 5 6 1 0 6 17 96 64 21 6 6 6 6 3 2 4 3 5 3 2 3 2 7 10 8 3 3 2 3 4 2 2 3 3 3 6 7 3 7 17 46 23 12 5 4 5 12 33 15 25 10 9 22 17 9 5 9 46 37 19 27 4 4 2 3 2 7 7 10 3 5 3 3 6 7 5 5 4 15 7 4 8 13 6 6 2 10 10 12 4 2 4 2 1 2 5 4 3 4 7 7 5 6 8 6 11 6 5 7 7 13 19 14 7 10 11 18 5 8 22 23 20 8 15 8 2 3 2 3 5 8 45 19 5 5 4 1 2 5 4 2 3 3 2 2 3 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 2 2 3 3 2 2 3 2 2 3 3 2 2 3 9 8 4 3 3 2 1 2 3 2 1 2 3 2 2 3 4 7 14 20 28 13 9 8 11 1 100 52 10 42 86 53 14 4 2 4 3 1 2 3 2 1 1 2 2 1 1 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 83 82 q 1H J 20 \| 77 76 s 1H \| 57 57 s 1H \| 34 33 dqt 1H J 20 37 56 \| 20 19 m 1H \| 19 18 m 1H \| 19 18 s 1H \| 18 18 s 1H \| 18 17 m 2H \| 17 16 m 2H \| 15 15 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)[C@H](O)CO	ir: 8 2 2 2 6 6 13 10 8 8 9 9 7 5 15 7 6 4 5 4 4 4 3 2 2 4 2 9 1 4 3 4 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 2 1 2 1 2 2 1 3 2 1 2 5 4 1 3 3 4 2 4 2 3 5 4 4 2 3 3 11 24 100 31 11 3 14 25 13 6 2 6 6 5 4 4 3 1 2 1 2 1 1 1 1 2 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 3 3 1 1 1 2 2 3 10 23 30 64 24 60 27 4 1 0 2 2 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 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 1 1 1 1 1 1; 1HNMR: 97 96 dd 1H J 17 83 \| 55 54 d 1H J 57 \| 49 48 dt 1H J 37 77 \| 46 46 d 1H J 53 \| 46 45 m 1H \| 45 44 ddd 1H J 54 75 82 \| 44 44 d 1H J 45 \| 42 42 m 2H \| 41 40 m 2H \| 40 39 m 1H \| 39 37 m 9H \| 36 35 ddd 1H J 46 56 118	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOc1ccccc1OC[C@H]1CO1	ir: 2 1 0 2 3 1 1 2 2 1 2 2 3 2 2 3 3 2 2 3 4 5 5 6 6 5 5 3 5 7 4 5 3 5 6 22 28 11 6 6 8 92 69 53 8 2 4 5 4 3 2 4 4 4 7 4 2 0 4 4 6 5 7 9 6 20 22 25 13 54 21 23 30 21 16 31 14 34 6 3 6 7 16 17 7 7 7 5 3 3 7 9 4 3 3 4 5 2 5 2 0 1 2 2 2 1 2 1 1 1 3 2 1 3 3 2 1 6 12 8 16 9 5 6 7 3 3 2 1 2 3 2 1 3 6 5 20 57 11 12 7 15 36 17 5 4 13 30 31 36 4 3 2 2 2 2 5 6 5 7 4 4 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 1 1 1 1 1 0 1 2 2 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 2 1 1 1 1 0 1 1 1 1 1 2 1 1 1 2 2 1 1 3 2 3 4 6 3 2 7 9 17 7 14 12 22 12 48 77 100 27 25 24 10 10 8 8 4 1 3 3 1 0 2 3 2 2 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 69 67 m 4H \| 61 59 ddt 1H J 56 114 170 \| 54 53 m 1H \| 53 52 ddt 1H J 13 24 169 \| 46 46 dt 2H J 14 57 \| 43 42 dd 1H J 40 115 \| 41 40 dd 1H J 40 115 \| 34 33 qd 1H J 26 39 \| 31 30 dd 1H J 37 77 \| 27 27 dd 1H J 27 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCC(O)c1c(O)c(Cl)c(C)c(C=O)c1O	ir: 0 0 0 0 0 0 1 2 0 0 0 0 0 1 0 0 0 1 0 1 0 0 1 1 1 0 1 0 0 0 1 1 1 7 45 6 9 9 19 2 2 1 1 4 18 3 3 1 3 2 2 3 1 1 1 1 1 0 1 1 2 1 3 1 1 1 1 2 2 1 1 0 1 1 1 0 0 1 2 1 6 1 1 1 0 1 1 2 4 26 2 1 1 0 1 2 8 12 13 7 16 3 3 1 0 0 1 2 1 14 3 3 2 3 2 1 1 1 3 3 2 1 1 1 1 1 1 2 2 2 0 1 0 0 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 19 1 0 1 9 7 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 2 1 0 0 0 1 0 1 3 3 5 1 2 3 100 65 17 6 2 2 1 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 65 65 s 1H \| 52 51 td 1H J 52 62 \| 46 46 d 1H J 51 \| 25 25 s 2H \| 21 20 dtd 1H J 60 88 135 \| 18 17 dtd 1H J 61 90 135 \| 17 15 m 2H \| 14 12 m 18H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1ccc(O)c(OC)c1	ir: 1 2 2 13 5 6 5 10 7 14 1 2 2 1 1 1 1 0 0 1 1 0 0 1 2 0 0 1 1 0 1 1 1 0 0 2 1 0 1 1 1 0 1 1 1 1 1 3 1 1 1 2 1 6 10 4 1 0 2 1 1 0 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 2 6 4 5 0 1 1 1 3 2 1 1 1 1 3 8 6 17 4 0 1 1 1 0 2 2 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 4 4 1 1 0 1 6 2 1 1 2 2 0 0 1 1 0 0 1 1 1 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 2 10 7 3 1 2 1 2 3 16 61 100 13 5 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 0 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 68 68 d 1H J 86 \| 67 66 m 2H \| 63 63 s 1H \| 39 38 s 2H \| 27 26 tt 2H J 9 62 \| 16 15 qt 2H J 63 76 \| 10 9 t 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Nc1ccc(CCn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1	ir: 1 7 7 5 24 14 5 3 2 3 5 6 8 8 6 5 5 11 12 32 12 10 9 13 9 8 8 4 1 5 6 5 11 8 12 18 11 20 11 9 4 6 2 2 7 2 2 2 2 4 3 3 11 39 52 27 6 3 1 2 2 2 4 2 2 11 14 22 2 9 14 1 2 3 4 4 3 2 4 9 11 12 2 7 6 2 12 11 1 4 12 7 2 3 1 2 2 27 15 12 2 2 1 1 1 1 1 2 2 2 3 9 10 4 4 1 2 5 3 2 6 8 4 8 5 6 7 7 3 4 2 6 6 9 4 1 1 1 2 3 4 11 9 12 100 70 67 17 7 3 10 24 5 11 4 4 2 0 2 5 41 13 14 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 2 3 3 3 3 2 2 1 3 2 4 10 16 4 45 38 21 29 14 6 5 7 1 1 2 1 1 1 2 1 2 1 1 1 2 2 2 4 6 63 92 46 17 15 16 10 6 3 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 79 dt 1H J 9 20 \| 73 72 m 2H \| 71 71 d 1H J 25 \| 71 70 d 1H J 82 \| 67 66 d 1H J 76 \| 57 56 d 1H J 73 \| 42 41 m 3H \| 39 38 s 2H \| 31 30 m 4H \| 28 27 m 2H \| 24 24 s 2H \| 12 12 d 6H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1cccc(C2CCN(Cc3ccccc3)C2)c1	ir: 2 2 3 3 2 3 5 13 3 2 2 2 2 4 3 2 2 5 3 2 3 3 5 3 4 3 3 3 2 3 7 11 7 3 3 5 4 2 3 6 14 2 3 3 3 2 5 17 15 5 3 3 4 3 3 3 2 4 3 0 39 5 3 5 3 3 7 15 21 14 8 82 31 4 5 7 3 8 6 6 12 3 3 4 4 4 7 8 8 17 5 6 5 4 4 4 4 7 7 6 2 4 7 9 6 3 3 3 2 3 4 3 3 3 2 2 3 3 3 5 12 11 11 10 8 8 5 4 4 8 7 8 34 36 13 27 11 4 4 5 7 6 7 30 8 2 4 3 3 2 2 4 4 2 3 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 3 3 3 3 3 4 3 2 6 10 10 12 51 27 9 3 2 3 3 3 2 3 4 3 4 7 5 15 33 15 7 4 2 5 100 18 4 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 73 72 m 7H \| 72 71 m 2H \| 40 39 m 2H \| 36 35 m 2H \| 32 31 m 2H \| 29 28 m 2H \| 28 28 m 2H \| 27 26 m 1H \| 22 21 ddt 1H J 45 66 128 \| 20 19 ddt 1H J 46 67 128	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cl)c2c(n1)c(-c1ccc(-n3cccn3)cc1C)nn2C	ir: 1 0 0 1 1 3 3 2 8 11 5 2 1 1 0 1 0 3 1 1 1 0 1 1 1 1 9 5 1 1 5 5 1 2 2 1 8 3 5 11 11 5 6 3 2 1 0 1 2 0 1 1 1 1 11 4 2 25 1 0 1 1 1 2 6 5 11 11 4 6 15 15 5 1 2 2 1 1 8 1 1 0 1 0 0 1 2 2 1 2 3 5 5 2 3 5 6 4 1 2 1 4 3 2 1 1 1 1 0 1 3 1 3 1 2 1 2 3 3 2 2 1 2 3 2 4 4 5 3 2 4 4 8 10 7 8 16 4 4 1 5 9 11 2 3 3 2 2 5 4 6 7 11 14 7 4 2 3 100 1 1 1 0 0 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 1 1 2 1 0 0 1 1 1 1 1 1 1 1 5 5 9 17 15 35 22 5 15 14 10 5 2 3 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 25 \| 78 78 d 1H J 80 \| 77 77 m 2H \| 76 76 dd 1H J 7 20 \| 72 72 s 1H \| 65 65 dd 1H J 16 24 \| 40 40 s 3H \| 26 25 s 3H \| 25 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C=C/c1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc(OC)c3)CC1)O2	ir: 25 9 9 17 69 80 54 1 10 14 3 4 1 10 9 10 6 15 7 16 11 9 6 3 2 5 4 4 12 5 4 12 11 3 3 2 40 16 8 2 4 6 16 2 7 11 22 26 17 7 5 2 14 29 32 44 5 5 5 3 3 4 4 4 12 10 20 43 17 6 17 22 4 4 3 4 4 6 22 11 42 65 50 18 11 29 3 7 6 53 31 9 15 4 8 7 4 5 11 7 8 24 18 5 19 16 11 2 30 4 3 17 18 6 2 5 8 9 11 3 4 8 19 20 14 4 7 38 25 80 25 11 67 8 6 6 9 17 5 4 21 16 6 14 36 41 13 64 51 11 9 30 85 9 17 22 4 2 2 3 11 5 2 2 2 2 2 9 5 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 3 9 10 8 13 13 6 8 4 19 23 100 29 35 88 36 24 9 3 2 3 2 0 2 2 1 1 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 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 81 80 d 1H J 22 \| 77 76 m 2H \| 72 71 m 2H \| 70 69 ddd 1H J 12 22 79 \| 68 67 m 2H \| 64 64 d 1H J 162 \| 38 37 d 6H J 57 \| 30 29 s 2H \| 29 28 ddd 2H J 38 66 125 \| 28 27 s 4H \| 27 27 ddd 2H J 38 66 125 \| 22 21 ddd 2H J 38 66 136 \| 20 19 ddd 2H J 38 64 134	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccccc1F	ir: 4 5 1 1 1 2 2 4 2 8 4 5 7 10 4 6 5 6 15 22 70 28 7 1 4 8 4 11 18 3 4 4 3 5 2 2 4 2 1 3 2 3 14 0 4 2 1 1 3 1 1 1 0 1 1 0 1 1 0 0 1 2 1 1 1 1 0 0 1 4 1 1 2 4 4 2 4 10 18 53 3 5 4 7 6 2 3 1 0 0 7 1 1 1 1 1 1 1 1 3 1 1 2 2 8 2 2 2 0 1 1 1 2 1 2 3 4 6 9 4 9 6 5 2 2 3 3 2 2 5 5 3 1 1 0 1 1 6 3 1 3 1 13 24 76 31 6 6 13 60 4 2 4 1 1 0 0 1 2 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 4 1 1 1 2 2 1 4 2 20 4 7 43 10 5 3 2 1 2 1 1 24 100 13 10 3 0 1 2 1 1 1 2 3 4 9 11 24 4 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 dddd 1H J 19 40 79 86 \| 72 71 td 1H J 14 88 \| 71 71 m 2H \| 61 61 d 1H J 82 \| 44 42 h 1H J 79 \| 31 30 dddd 1H J 8 37 79 152 \| 29 27 m 3H \| 26 25 dd 1H J 76 168 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC1CC[C@@H](C(=O)OCc2ccccc2)N1	ir: 2 5 4 9 1 1 1 4 6 9 13 6 6 4 11 11 1 2 2 4 2 2 2 2 2 2 3 3 7 8 11 21 10 5 3 1 2 5 3 14 69 30 23 11 7 8 3 9 5 8 8 1 2 4 2 1 3 12 4 12 7 7 7 4 8 4 9 13 13 15 23 11 10 2 5 5 3 3 2 2 1 1 1 1 2 1 2 2 12 12 2 3 3 3 8 7 6 6 9 3 3 3 2 6 6 7 15 38 74 25 10 13 2 4 6 15 11 2 4 6 13 16 10 6 3 10 2 3 3 5 4 15 12 4 11 9 10 3 13 5 3 2 9 17 43 7 2 2 2 0 2 7 5 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 2 2 4 6 3 2 6 9 5 6 12 6 24 37 13 13 5 5 6 5 3 1 1 2 2 1 2 2 1 2 4 8 100 89 30 5 3 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 74 73 d 4H J 42 \| 73 73 m 1H \| 57 56 ddtd 1H J 17 83 111 166 \| 52 51 m 3H \| 50 49 m 1H \| 38 38 dddd 1H J 18 34 51 70 \| 37 36 t 1H J 72 \| 32 31 dtd 1H J 25 50 100 \| 22 21 m 1H \| 21 20 m 2H \| 19 18 m 2H \| 17 16 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1(C)Oc2ccc(C#N)cc2C(C(=S)NC)C1O	ir: 5 9 6 5 2 3 3 4 5 3 3 4 9 12 2 5 3 1 1 2 6 5 23 9 7 13 17 19 11 15 10 8 2 3 5 10 13 12 8 4 4 7 10 5 5 3 2 2 1 1 1 3 1 1 5 14 4 0 2 4 3 3 2 4 4 2 9 7 11 5 4 8 4 4 2 10 5 2 2 2 2 3 3 2 4 8 8 23 59 49 100 23 18 17 6 15 8 12 11 6 1 4 4 5 3 3 3 3 2 2 5 5 5 3 7 4 3 8 7 4 6 7 5 9 6 16 5 6 5 5 4 3 2 2 2 4 1 3 3 6 8 25 54 47 15 29 16 7 4 47 13 1 3 7 2 1 1 1 1 0 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 6 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 4 3 4 2 4 3 4 5 4 6 7 9 7 5 12 8 22 10 15 36 54 1 6 6 12 15 23 56 81 6 25 5 4 6 3 3 6 7 14 22 16 27 15 38 18 16 22 14 9 4 5 2 1 3 1 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 78 77 dd 1H J 7 21 \| 76 75 dd 1H J 22 79 \| 75 74 q 1H J 46 \| 70 70 d 1H J 79 \| 46 45 ddq 1H J 15 44 71 \| 44 44 m 1H \| 38 37 d 1H J 57 \| 31 31 d 3H J 46 \| 19 18 dq 1H J 78 139 \| 17 16 dq 1H J 78 140 \| 14 14 d 3H J 16 \| 10 9 t 3H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCN(CC(=O)N1CC(=O)N(c2cccc(Cl)c2C)C1)S(=O)(=O)c1cccc(Cl)c1	ir: 1 4 1 6 3 6 5 6 6 5 10 8 13 13 6 10 12 5 6 6 6 7 9 11 12 13 4 4 5 4 7 19 4 1 5 6 16 7 6 1 15 24 6 10 9 14 45 100 24 2 4 4 2 3 2 3 3 3 2 1 8 2 6 0 10 30 7 16 17 6 3 3 2 1 2 2 4 7 12 13 31 11 8 16 4 10 66 28 16 25 8 10 7 6 13 8 7 8 3 16 6 4 2 2 2 2 3 4 4 3 5 4 5 3 0 1 2 2 4 2 9 5 11 70 17 4 5 5 9 1 1 2 3 3 4 2 5 6 15 12 15 7 2 4 4 3 31 33 8 44 11 4 2 2 3 18 3 3 5 0 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 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 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 0 1 1 0 1 0 1 1 1 2 2 2 3 2 3 3 2 2 1 8 11 18 21 47 34 13 9 2 2 2 1 2 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 77 m 2H \| 76 75 dd 1H J 78 87 \| 75 74 ddd 1H J 12 21 79 \| 72 71 m 3H \| 53 53 s 2H \| 42 41 s 2H \| 40 40 s 2H \| 36 35 t 2H J 70 \| 34 33 t 2H J 69 \| 33 33 s 3H \| 22 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c3c(c(=O)oc2c1)CN(Cc1cc(OC)c(OC)c(OC)c1)CC3	ir: 12 15 14 19 10 11 14 10 11 15 13 10 9 11 13 11 11 13 15 12 15 17 15 13 11 15 13 10 10 12 16 11 12 10 10 8 12 16 13 15 11 11 10 13 13 11 10 7 9 19 12 9 12 19 41 12 13 15 17 10 13 23 15 17 24 30 36 26 47 17 14 12 15 15 10 9 10 13 13 26 61 28 10 10 16 26 22 10 10 14 10 12 22 12 11 10 21 13 9 15 12 14 13 10 14 9 8 9 11 14 14 10 11 23 10 14 11 13 10 16 12 12 12 15 12 12 11 16 12 9 9 11 12 9 9 13 23 12 29 13 14 9 9 11 10 8 9 11 20 30 25 13 14 20 19 31 100 11 10 13 12 0 17 57 11 8 9 9 9 7 9 10 9 8 9 10 9 8 9 10 8 8 9 10 8 7 9 10 8 8 9 10 8 8 9 10 8 8 9 9 8 8 10 9 8 8 10 9 8 8 10 9 8 8 10 9 8 8 10 9 7 8 10 9 7 9 10 9 7 9 10 9 7 9 10 8 7 9 10 8 7 9 10 8 8 9 10 8 8 9 10 8 8 9 10 8 8 10 9 8 8 9 9 8 8 10 9 8 9 11 10 9 9 10 10 9 10 12 12 8 10 11 11 18 21 14 19 54 57 16 13 11 13 10 9 8 10 10 9 8 9 10 9 8 9 10 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 10 9 8 9 10 9 8 9 10 9 7 9 10 9 8 9 10 8 8 9 10 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 10 9 8 9 10 9 8 9 10; 1HNMR: 75 75 d 1H J 90 \| 69 68 d 1H J 24 \| 68 67 dd 1H J 25 91 \| 66 66 d 2H J 9 \| 39 38 d 9H J 22 \| 38 38 s 2H \| 37 37 d 2H J 9 \| 36 35 t 2H J 10 \| 32 31 m 2H \| 28 27 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nc1C	ir: 4 6 4 6 5 5 5 6 4 3 3 4 3 3 3 3 3 3 4 3 3 3 2 3 4 3 2 4 7 0 100 8 3 4 4 3 4 7 20 6 4 4 4 3 3 3 3 2 3 4 4 4 3 5 8 63 7 4 3 4 3 3 3 3 3 3 11 3 4 27 4 6 8 4 4 5 26 4 3 3 5 3 3 3 3 3 3 3 4 9 5 4 3 3 3 3 4 5 12 26 7 10 4 3 3 3 3 3 3 3 3 5 41 14 6 5 13 33 14 6 3 4 4 5 6 6 39 5 8 4 3 3 3 3 3 3 4 22 4 3 4 29 5 5 5 19 23 5 6 6 5 16 5 8 4 3 3 3 7 10 4 3 28 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 8 4 3 3 3 3 3 3 3 4 4 3 4 8 11 5 7 17 21 4 7 44 3 4 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 86 86 dq 1H J 13 24 \| 83 82 d 1H J 110 \| 79 79 s 1H \| 79 78 ddt 1H J 13 29 110 \| 44 43 q 2H J 64 \| 26 25 s 3H \| 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.
Cc1nccc(Cl)c1C=O	ir: 0 1 2 1 0 1 2 1 0 1 1 1 3 8 9 3 2 3 3 3 1 1 1 0 0 1 1 0 0 1 1 0 4 3 6 4 9 2 2 1 1 1 2 3 7 26 18 2 1 1 1 0 1 1 1 1 1 2 4 3 11 8 1 1 1 1 1 4 19 16 6 1 12 8 14 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 3 1 1 1 1 3 20 1 1 1 1 1 0 1 4 5 5 3 1 1 1 3 17 5 5 1 2 1 1 1 1 1 1 1 6 3 1 1 1 1 1 3 5 1 1 1 1 0 1 1 3 2 5 11 19 8 2 1 1 0 1 2 76 100 4 2 2 2 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 2 3 2 1 1 1 1 1 1 1 1 1 2 3 11 7 2 7 9 3 4 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 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; 1HNMR: 84 84 d 1H J 33 \| 73 73 d 1H J 33 \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)[C@@](C)(C(=O)NO)N(C)C(=O)c1ccc(C#Cc2ccc(C(C)OCCO)cc2)cc1	ir: 7 5 9 9 5 4 5 3 3 2 2 1 2 3 3 4 1 3 4 2 2 4 2 3 2 2 2 3 3 3 3 2 5 5 7 2 4 3 7 47 10 12 7 4 1 3 2 2 4 3 2 3 2 3 3 10 10 7 4 3 1 2 1 1 1 2 7 2 1 7 3 1 1 3 1 1 2 2 2 0 2 9 2 3 2 4 11 11 3 12 8 2 3 2 2 10 8 15 4 2 1 1 1 4 1 1 1 1 1 1 1 2 2 1 1 2 3 1 2 3 1 1 2 4 5 3 4 11 7 3 3 3 2 1 2 1 1 1 1 1 1 1 2 2 14 22 7 31 9 12 12 13 3 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6 7 2 22 50 6 3 3 3 3 0 6 100 7 4 1 1 2 2 1 2 2 2 4 2 3 5 6 16 19 11 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 94 94 d 1H J 33 \| 84 83 d 1H J 33 \| 78 78 m 2H \| 77 76 m 2H \| 75 74 m 2H \| 73 72 m 2H \| 64 64 q 1H J 49 \| 48 47 m 1H \| 38 36 m 4H \| 31 31 s 2H \| 29 28 t 1H J 61 \| 28 28 d 3H J 49 \| 15 14 d 3H J 57 \| 13 13 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1c(Cl)ccc2ncc(C=O)nc12	ir: 1 3 1 2 2 1 2 6 7 9 3 2 1 2 6 2 1 4 5 8 21 11 1 3 7 5 1 1 2 2 1 1 1 1 1 3 1 2 8 10 17 5 2 2 1 1 2 3 2 2 3 10 38 19 6 6 5 11 4 3 1 2 4 2 10 2 1 4 3 1 1 1 1 1 1 1 1 1 3 10 2 0 1 1 1 1 1 1 1 1 1 1 0 1 4 10 9 10 15 13 12 2 6 4 7 10 1 1 0 1 1 2 2 11 2 2 1 2 3 7 21 4 5 4 2 4 2 1 1 1 3 6 14 3 3 2 2 4 3 1 3 3 5 19 100 92 6 4 2 3 1 0 1 11 4 0 1 1 3 1 1 1 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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 1 1 1 1 1 1 6 3 1 1 2 1 1 3 6 6 14 6 12 15 5 3 3 2 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 90 89 s 1H \| 78 78 d 1H J 88 \| 75 75 d 1H J 90 \| 41 41 s 2H \| 37 36 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nccc(Sc3ncc(N)s3)c2cc1OC	ir: 5 3 5 5 11 5 10 10 2 3 2 1 2 2 1 1 1 1 3 1 1 2 4 15 45 4 4 4 10 13 2 2 2 1 1 1 1 1 1 2 2 3 3 4 8 11 24 13 14 32 22 2 4 5 3 9 4 5 7 12 31 19 19 21 19 16 14 22 100 6 7 28 8 4 9 5 5 3 4 6 4 3 4 2 18 8 2 4 2 2 2 6 11 4 1 2 1 2 2 18 19 39 9 6 7 3 4 2 20 17 3 5 13 3 4 3 2 12 11 25 11 6 6 7 4 7 12 15 6 7 4 5 18 18 3 4 3 2 2 5 7 2 3 2 1 1 1 1 1 1 1 2 4 6 5 18 5 2 29 16 4 2 2 1 1 1 1 1 1 6 1 0 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 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 3 2 1 1 1 1 1 1 1 3 3 6 8 24 28 20 42 77 30 43 10 4 3 5 1 3 3 1 3 4 4 4 14 22 5 3 3 8 1 21 13 0 3 2 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 0 1 1 1 0 1 1 1 0 1 1 1 1; 1HNMR: 86 86 d 1H J 40 \| 74 74 s 1H \| 73 73 s 1H \| 70 70 d 1H J 42 \| 67 67 s 1H \| 51 51 s 2H \| 39 39 s 3H \| 39 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=O)(OCC)C(c1ccccc1)N(CC)CC	ir: 4 5 4 5 4 3 2 3 4 3 4 4 6 14 9 7 11 7 4 5 3 4 3 3 3 6 3 3 3 5 4 4 5 9 17 13 6 4 8 15 6 14 11 7 5 7 4 3 4 3 4 3 4 6 4 3 3 5 4 8 5 3 3 3 4 4 16 28 7 8 11 5 13 22 22 13 14 22 10 5 100 0 6 6 5 6 4 4 3 3 6 8 9 5 7 4 3 4 5 4 3 4 3 4 3 3 3 3 2 3 3 3 3 3 4 5 5 4 5 4 4 4 3 3 3 4 4 3 3 4 4 3 3 4 6 10 11 4 3 3 3 3 6 24 5 4 4 4 3 3 3 3 6 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 4 3 3 3 3 4 3 4 3 4 5 7 5 5 12 9 8 36 14 3 4 4 3 2 4 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 75 74 m 2H \| 74 73 m 2H \| 73 73 m 1H \| 42 40 m 5H \| 29 28 m 2H \| 27 26 m 2H \| 12 11 m 12H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OC(=N)c1cccnc1	ir: 2 3 9 18 6 6 5 5 10 5 3 2 3 2 1 2 3 2 2 3 2 1 1 2 2 5 3 12 6 4 6 13 22 22 30 7 2 2 2 7 3 6 2 2 2 0 1 3 1 0 1 2 1 0 2 11 9 5 4 3 2 3 8 9 2 2 1 5 5 8 16 9 8 3 1 5 5 7 11 9 11 8 12 8 4 1 4 4 26 16 9 4 1 0 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 2 2 15 12 9 4 2 6 7 4 1 3 2 6 12 8 7 21 6 4 3 1 0 1 2 1 9 23 24 4 12 26 41 7 6 3 2 1 1 1 1 1 8 13 11 2 1 2 1 3 21 16 2 2 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 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 1 1 1 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 5 5 2 3 8 25 2 1 2 1 0 1 1 1 1 1 2 3 5 21 100 32 3 3 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 88 88 t 1H J 18 \| 87 87 ddd 1H J 16 26 49 \| 81 80 m 1H \| 80 79 s 1H \| 73 73 dd 1H J 49 74 \| 51 50 p 1H J 55 \| 13 12 d 6H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(OC)(C(=O)n1ccnc1)c1ccc(Cl)cc1Cl	ir: 1 5 7 2 5 9 17 8 4 1 1 2 2 2 2 12 10 6 1 3 1 1 1 1 1 8 10 2 1 1 5 10 25 10 3 1 3 5 4 14 8 0 2 5 4 3 11 15 24 6 8 10 52 29 25 5 3 5 7 18 26 7 3 24 16 4 11 7 8 15 12 3 3 2 4 9 14 6 4 1 3 2 0 4 3 7 18 59 15 19 8 8 10 4 6 26 27 6 22 13 10 28 5 5 1 10 7 11 9 3 17 34 26 28 18 10 9 12 26 29 36 18 20 23 11 10 8 10 6 9 12 3 5 6 5 13 4 7 6 4 13 5 11 6 2 1 1 2 3 21 6 3 14 14 6 2 1 1 0 1 2 1 1 1 0 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 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 0 0 0 1 0 0 0 1 0 1 0 1 1 1 0 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 2 1 2 1 2 7 3 3 5 7 2 3 6 4 11 10 8 25 58 58 44 78 100 91 67 27 13 5 4 5 6 2 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 t 1H J 16 \| 77 76 dd 1H J 16 31 \| 74 74 d 1H J 17 \| 73 72 m 3H \| 35 35 s 3H \| 24 23 dt 1H J 65 134 \| 20 19 m 1H \| 17 16 m 1H \| 16 14 m 1H \| 11 10 t 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(C(OCc2ccccc2)c2cc(Br)ccc2Cl)cc1	ir: 1 1 0 1 2 1 1 2 1 4 4 3 4 10 1 1 1 2 1 0 0 1 0 1 3 1 2 4 4 1 1 4 3 2 1 3 5 12 17 13 42 24 5 3 1 1 4 1 1 2 3 0 4 16 22 17 25 4 6 7 3 0 3 4 6 5 25 16 8 20 5 2 4 6 6 7 3 5 7 3 1 2 1 1 2 3 3 5 9 8 26 9 2 0 1 3 2 2 8 4 1 1 1 1 0 0 1 1 1 0 1 1 1 3 3 3 5 7 3 6 3 3 3 3 1 5 2 2 3 6 1 1 2 3 7 4 6 3 2 5 6 1 3 24 3 4 6 28 28 15 6 9 5 4 3 2 1 1 0 1 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 2 2 3 3 9 14 20 35 100 38 19 7 8 3 1 3 3 1 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: 76 76 dd 1H J 7 19 \| 75 74 m 2H \| 74 73 m 5H \| 72 72 m 2H \| 69 69 m 2H \| 58 58 d 1H J 8 \| 47 47 dt 1H J 9 119 \| 46 45 dt 1H J 9 119 \| 41 40 q 2H J 66 \| 15 14 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(C)c1	ir: 5 5 5 5 3 4 19 5 13 10 2 2 8 13 13 14 22 5 3 12 12 3 4 2 1 2 2 2 5 7 2 14 2 6 6 10 8 8 10 18 7 7 5 3 5 4 4 2 2 2 2 3 5 4 6 8 19 25 7 20 6 2 3 4 13 6 6 43 3 5 16 4 4 2 3 2 1 2 4 17 7 12 17 46 24 36 34 22 13 7 3 2 2 2 2 3 11 25 100 17 10 6 3 1 4 2 1 2 3 1 0 2 5 4 4 7 16 12 28 7 4 3 3 14 5 3 2 2 2 2 2 3 3 2 1 2 2 1 1 2 2 1 1 3 4 39 17 1 2 4 4 1 1 3 4 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 2 2 1 3 6 8 5 11 21 14 9 3 2 1 2 1 1 1 1 1 1 1 1 1 1 2 2 2 4 4 2 2 2 3 9 23 42 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; 1HNMR: 93 92 q 1H J 15 \| 76 76 d 1H J 18 \| 76 75 m 2H \| 32 31 q 4H J 80 \| 24 24 s 3H \| 11 11 t 6H J 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(F)(F)c1cccc(OCCOCCOC)c1	ir: 2 6 11 8 7 7 5 5 6 5 4 9 2 6 5 2 1 2 3 7 1 2 1 1 4 15 2 1 2 1 3 30 7 3 2 10 7 8 3 2 1 2 3 0 2 8 26 42 17 2 6 10 6 7 12 4 7 11 3 4 4 6 3 9 7 22 23 40 19 6 14 6 11 10 5 2 3 7 8 7 20 31 28 42 3 2 2 2 1 1 2 1 2 3 20 5 6 4 2 16 1 1 2 2 2 3 3 2 1 3 3 14 27 16 11 4 1 6 7 5 1 3 8 8 5 2 3 11 21 12 3 2 1 2 2 1 0 3 3 0 12 34 4 6 4 5 1 2 1 1 1 2 4 3 2 9 5 3 1 2 4 27 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 1 3 3 2 3 1 3 4 2 3 5 13 23 13 12 100 56 4 3 4 1 2 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 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 2H \| 71 70 m 1H \| 70 69 m 1H \| 44 43 q 2H J 61 \| 42 41 t 2H J 49 \| 38 38 t 2H J 50 \| 37 36 t 2H J 49 \| 36 35 t 2H J 47 \| 34 34 s 2H \| 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.
CCNC(=O)c1cc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cnc1NC	ir: 1 3 3 2 2 4 6 7 6 2 3 1 1 3 2 3 4 5 5 17 10 10 10 13 9 4 5 5 11 5 3 3 2 5 3 5 5 2 3 11 10 9 21 29 100 16 14 14 6 6 7 3 2 4 5 15 5 34 10 4 4 0 1 3 4 1 3 6 5 7 4 10 3 4 2 3 3 4 3 2 4 2 2 5 4 1 5 1 3 3 3 1 1 2 1 4 9 10 2 4 1 1 1 1 1 1 1 1 2 2 2 11 6 7 4 2 2 3 4 2 5 4 7 8 9 21 10 5 4 2 5 3 3 1 2 3 1 6 4 23 57 5 5 33 7 30 30 10 1 6 7 2 5 3 12 59 92 26 5 0 1 5 16 4 3 3 2 0 2 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 2 2 1 1 1 1 2 1 0 1 2 3 3 2 6 6 4 8 11 17 10 4 11 2 2 1 2 1 1 1 2 2 3 1 2 1 2 2 4 7 3 94 58 10 15 5 5 5 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: 89 89 s 1H \| 88 87 d 1H J 25 \| 86 86 d 1H J 18 \| 84 84 d 1H J 18 \| 84 83 d 1H J 80 \| 80 79 dd 1H J 24 81 \| 76 76 t 1H J 42 \| 76 75 q 1H J 50 \| 74 73 s 1H \| 38 38 s 3H \| 36 36 s 3H \| 34 33 qd 2H J 42 62 \| 31 30 d 3H J 49 \| 22 22 s 3H \| 13 12 t 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCn1nnc2c(-c3nc4ccccc4s3)ncn2c1=O	ir: 7 4 5 9 4 4 4 8 37 35 13 8 7 5 4 5 7 4 3 4 2 3 10 6 18 17 3 5 5 11 5 3 3 4 4 13 16 10 4 17 16 13 100 93 11 6 43 26 38 40 5 3 2 4 2 74 4 2 2 7 9 2 2 3 2 2 2 5 47 2 20 23 8 5 5 3 5 10 7 2 3 5 2 2 2 5 2 1 2 2 3 7 9 4 2 2 3 9 7 5 26 29 2 2 2 29 4 2 5 7 2 2 3 2 1 19 17 5 6 3 31 27 7 14 8 7 2 3 3 4 9 6 4 4 13 28 9 6 11 6 2 9 14 9 2 4 3 38 41 4 2 2 2 4 85 76 1 3 4 0 58 27 2 2 2 1 2 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 1 1 1 2 2 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 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 2 1 1 2 2 1 1 2 2 2 2 3 4 6 6 2 2 2 2 3 2 5 5 9 9 85 38 3 4 3 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 90 90 s 1H \| 79 79 dd 1H J 14 72 \| 78 78 dd 1H J 15 76 \| 75 74 td 1H J 15 73 \| 74 73 td 1H J 14 75 \| 53 53 s 2H \| 34 33 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=O)c1ccc2cc(OC)ccc2c1	ir: 12 6 0 5 7 5 1 8 9 14 8 14 16 7 9 4 6 3 5 6 8 4 3 5 5 3 1 4 4 1 2 6 6 9 5 65 21 22 8 4 3 3 3 4 5 15 6 3 3 3 5 8 4 9 67 6 5 2 4 6 6 3 7 9 4 3 10 34 80 15 9 6 5 9 10 8 3 3 5 8 2 2 4 4 2 2 5 4 2 9 9 9 11 15 25 42 7 2 6 4 2 11 17 10 8 37 7 7 3 11 6 4 3 7 9 8 11 8 13 5 4 5 5 9 20 11 4 6 4 7 8 5 7 6 32 22 23 15 16 3 5 8 7 7 22 17 7 9 8 14 6 3 3 4 4 11 7 15 49 2 2 5 3 0 2 5 3 1 3 9 2 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 4 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 3 3 4 3 3 3 4 4 2 3 5 4 4 7 9 20 12 17 100 46 5 14 9 3 3 4 5 3 2 3 4 2 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 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 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 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 4 2 1; 1HNMR: 83 83 dd 1H J 14 23 \| 80 79 m 3H \| 77 77 dd 1H J 24 89 \| 76 75 m 1H \| 44 43 q 2H J 71 \| 39 38 s 3H \| 14 14 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]2C[C@H](Oc3cnc(C4CC4)cn3)CN12	ir: 2 3 2 5 6 3 1 12 6 4 2 4 6 8 6 7 2 4 10 5 3 5 2 4 3 3 2 3 5 6 3 4 8 3 2 7 18 4 7 12 4 5 1 2 2 2 1 2 2 1 2 4 7 21 15 4 3 1 1 2 3 2 2 2 2 4 17 12 4 1 20 6 8 5 3 2 2 1 1 1 1 1 3 3 8 14 2 2 3 4 6 9 4 5 10 10 13 6 28 23 10 8 11 6 4 6 4 5 4 3 4 2 29 25 4 8 5 8 6 3 5 8 6 6 16 27 32 9 1 5 7 5 42 10 6 9 5 5 7 15 25 44 10 4 7 7 10 42 100 24 23 42 9 3 5 1 1 2 3 2 6 20 5 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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 1 3 4 2 2 2 2 3 3 7 5 13 6 14 16 18 8 4 7 1 1 2 1 1 0 1 1 0 0 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 85 84 dq 1H J 13 25 \| 82 82 d 1H J 7 \| 80 79 s 1H \| 79 79 ddd 1H J 14 30 62 \| 68 67 d 1H J 65 \| 54 53 m 1H \| 42 41 m 1H \| 40 40 dt 1H J 22 117 \| 39 38 dd 1H J 57 126 \| 38 37 m 2H \| 38 37 m 1H \| 37 36 dd 1H J 62 128 \| 28 27 m 2H \| 24 23 m 1H \| 22 21 m 2H \| 13 12 m 2H \| 12 11 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCN(C)Cc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1	ir: 9 7 10 10 15 9 6 10 0 4 4 8 9 13 7 10 9 4 7 8 9 3 3 4 8 5 5 7 4 9 4 16 14 18 6 11 14 18 67 95 23 8 10 4 13 8 9 3 4 3 5 11 13 9 57 7 7 5 7 6 9 6 4 5 14 13 30 11 19 29 8 6 7 22 12 3 4 9 17 7 6 10 3 9 17 16 19 19 18 17 4 2 3 2 2 3 8 10 12 15 20 29 10 9 14 7 8 20 11 7 5 3 6 7 4 3 8 7 11 28 13 10 10 14 13 7 10 5 23 8 6 16 8 7 11 15 26 21 19 100 55 17 15 18 20 17 20 13 42 21 4 5 13 2 4 11 9 13 26 25 4 2 4 3 2 0 2 4 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 3 2 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 2 2 2 1 1 3 2 1 2 5 4 1 4 7 6 2 9 20 9 14 25 18 11 71 34 46 9 7 6 3 2 2 2 4 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 81 80 dd 1H J 17 44 \| 75 74 td 1H J 17 72 \| 73 72 m 3H \| 72 72 ddq 2H J 8 16 59 \| 68 67 dd 1H J 13 70 \| 67 66 ddd 1H J 14 45 73 \| 52 52 t 2H J 9 \| 41 41 s 2H \| 41 40 ddd 2H J 61 89 139 \| 38 37 ddd 2H J 61 89 137 \| 35 34 t 2H J 60 \| 34 33 p 1H J 56 \| 33 33 s 2H \| 29 28 t 2H J 61 \| 25 24 s 2H \| 23 22 m 2H \| 21 20 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)NC(=O)Nc1nc2cc(Cl)ccc2s1	ir: 4 4 8 9 15 13 10 4 4 4 6 5 4 3 3 3 4 3 3 5 13 4 3 5 17 10 4 4 4 4 4 4 3 3 3 4 3 3 3 5 6 7 6 4 3 3 3 5 3 2 4 7 17 12 59 99 62 45 7 3 8 18 4 2 4 6 19 12 10 5 3 3 3 4 3 3 4 3 3 3 3 3 3 3 4 4 3 4 4 4 3 6 21 7 3 3 4 4 0 17 2 3 5 4 3 3 4 5 3 4 18 5 3 3 3 4 5 4 3 8 7 5 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 4 13 26 6 3 2 6 7 9 7 11 6 26 23 79 34 14 13 3 13 6 29 6 3 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 4 3 5 11 15 20 14 5 8 4 4 3 4 4 4 5 3 3 6 3 5 3 3 4 4 9 4 9 11 26 50 100 19 5 5 4 4 4 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 92 92 s 1H \| 79 78 d 1H J 21 \| 78 77 d 1H J 82 \| 74 74 dd 1H J 21 83 \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2ccc(Cl)c(Cl)c2)nc(-c2cccc(-c3ccc(S(=O)(=O)NC(C)(C)C)s3)c2)n1	ir: 4 3 1 3 3 4 5 5 2 1 1 1 1 2 1 1 2 1 3 4 2 1 1 1 1 2 1 1 1 3 5 5 3 1 3 2 6 34 8 3 2 2 5 9 6 1 5 2 2 0 1 2 8 5 7 6 2 0 2 2 2 8 6 8 4 4 7 26 7 5 6 3 0 0 5 4 19 9 6 3 1 1 3 2 3 4 33 4 1 4 3 3 2 4 4 1 2 2 6 2 2 1 5 1 7 2 1 1 1 1 1 1 2 3 17 32 4 4 8 5 4 2 7 2 2 4 2 1 6 3 6 1 2 2 2 1 0 7 2 2 4 2 1 7 20 11 13 1 30 1 2 1 1 1 1 5 10 7 0 0 0 0 3 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 1 1 1 1 1 0 0 1 1 0 0 1 1 1 4 5 14 4 26 20 7 6 3 2 1 2 1 1 0 0 0 0 0 0 0 1 1 1 1 9 43 100 9 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; 1HNMR: 84 84 t 1H J 22 \| 80 80 ddd 1H J 12 22 95 \| 79 78 ddd 1H J 13 22 75 \| 78 77 d 1H J 22 \| 77 76 m 6H \| 75 74 s 1H \| 60 59 s 1H \| 25 25 s 3H \| 12 12 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)N1CCN(c2cc(NC3CCCCC3)nc3cc(Cl)ccc23)CC1	ir: 3 4 3 5 2 3 3 3 5 6 10 4 5 3 2 2 4 3 2 2 2 2 2 2 2 5 7 4 3 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 2 3 3 3 3 3 3 3 2 2 3 5 5 3 7 3 2 2 2 2 2 2 2 2 2 2 2 2 4 2 3 2 2 3 4 4 2 3 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 3 4 3 3 2 3 3 3 5 4 5 4 5 5 3 3 3 2 3 4 5 4 3 3 3 2 3 2 2 2 3 5 3 4 6 3 2 2 3 2 5 16 3 2 3 3 2 2 2 3 2 0 100 2 2 3 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 3 3 3 2 2 2 2 2 2 6 8 3 3 45 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 7 13 16 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 80 79 d 1H J 89 \| 78 77 d 1H J 22 \| 74 73 dd 1H J 21 91 \| 64 63 d 1H J 73 \| 63 63 s 1H \| 39 38 dp 1H J 51 73 \| 36 36 m 4H \| 34 34 m 4H \| 20 19 dddd 2H J 51 60 84 134 \| 17 14 m 9H \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](OS(=O)(=O)C(F)(F)F)C(=O)O	ir: 3 5 5 6 3 4 5 5 8 20 14 4 8 14 7 8 11 6 7 12 47 94 24 11 9 5 4 3 2 2 2 1 1 1 1 2 1 1 1 2 2 5 4 8 3 1 1 2 7 12 6 5 2 1 1 2 1 0 1 3 6 2 2 3 2 0 4 15 9 4 9 9 21 9 5 4 10 13 28 83 56 7 7 8 8 100 28 4 7 11 1 1 3 2 1 2 5 28 5 1 2 1 1 1 2 1 1 2 4 3 2 2 3 2 2 1 2 1 2 1 2 2 2 3 4 5 3 3 4 2 1 1 1 1 1 1 1 1 1 2 2 2 5 19 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 2 3 2 2 3 1 1 1 1 1 1 1 1 1 1 1 3 24 12 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; 1HNMR: 74 74 s 1H \| 54 54 q 1H J 70 \| 15 15 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)C(C)(C)CC2=O	ir: 5 12 8 8 6 6 6 6 7 6 5 6 8 9 14 15 59 14 5 13 12 8 9 13 12 7 8 8 8 5 8 13 23 6 5 6 6 6 21 8 5 5 6 6 6 5 6 6 5 5 9 28 84 73 31 25 14 11 18 12 11 8 14 35 18 17 21 44 96 24 10 7 6 6 6 8 12 10 7 6 5 5 6 5 5 5 8 14 10 11 10 12 9 7 7 7 7 7 5 6 6 6 6 10 11 6 6 8 7 5 8 6 5 14 78 72 20 12 17 35 18 15 11 12 19 32 11 22 16 12 14 6 4 7 8 9 11 49 58 22 13 8 5 5 5 5 5 7 17 24 27 23 20 20 45 7 8 9 7 0 6 44 100 15 7 3 5 7 5 3 5 6 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 5 6 6 6 6 8 8 8 7 7 14 11 9 7 10 9 10 15 42 19 20 32 92 59 41 11 12 7 7 7 7 6 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 78 78 d 1H J 84 \| 70 69 d 1H J 21 \| 69 68 dd 1H J 21 83 \| 38 38 s 3H \| 30 29 s 2H \| 14 14 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCc1cc(Cl)ccc1OC	ir: 3 2 1 1 2 2 1 1 2 1 0 1 2 1 1 3 2 1 0 1 2 1 2 3 2 2 2 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 3 3 3 6 24 27 6 7 21 38 29 10 2 6 5 5 10 29 1 2 5 3 0 2 4 3 2 2 2 1 4 8 3 2 2 7 6 1 1 2 3 2 2 2 2 1 1 2 2 2 2 5 3 2 2 5 4 2 1 5 3 1 1 2 3 1 3 100 96 21 11 4 4 3 2 5 5 5 5 14 5 2 2 3 1 1 2 4 8 16 5 2 1 1 2 2 1 2 2 3 5 4 3 2 1 1 8 9 2 5 9 3 1 1 1 1 1 2 3 1 1 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 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 2 3 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 3 2 1 15 11 16 6 2 2 2 1 1 2 2 1 2 3 1 1 2 3 3 22 22 37 18 31 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 dt 1H J 9 25 \| 72 72 dd 1H J 24 86 \| 69 68 d 1H J 87 \| 54 53 h 1H J 52 \| 40 39 dd 2H J 8 52 \| 38 38 s 2H \| 26 25 d 3H J 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC[C@](C)(N)CO	ir: 5 4 1 3 5 5 4 7 16 17 27 16 20 21 23 18 22 16 8 7 10 8 7 6 7 3 1 2 3 2 2 3 3 1 1 3 2 1 2 4 3 1 2 3 2 2 2 3 2 1 2 5 3 3 2 8 10 20 36 76 55 96 10 31 49 13 15 51 20 2 6 4 12 6 16 3 2 3 3 5 4 4 5 5 56 83 37 10 18 12 25 12 4 2 5 3 1 2 5 6 4 5 4 5 3 3 4 2 0 2 4 3 2 3 3 2 0 2 4 5 0 4 8 6 3 7 6 7 11 15 12 2 10 73 45 20 5 5 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 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 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 0 1 2 1 1 1 2 1 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 2 1 2 2 1 2 3 3 1 2 4 3 1 3 5 7 3 2 2 2 1 2 2 4 23 98 100 95 6 5 8 11 30 24 16 5 3 7 5 4 49 24 13 4 3 2 1 1 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0; 1HNMR: 36 36 t 1H J 58 \| 36 35 dd 1H J 58 120 \| 33 33 dd 1H J 59 119 \| 23 22 s 2H \| 15 14 m 2H \| 14 12 m 2H \| 11 11 s 2H \| 9 8 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1cc(C)ccc1Sc1ccc(C)cc1	ir: 4 2 1 2 5 6 1 1 2 2 6 2 2 2 10 1 0 1 1 0 1 2 1 1 1 3 6 2 1 1 1 1 0 0 0 1 1 1 1 2 0 0 0 0 0 1 1 2 2 2 2 6 17 96 17 4 3 2 1 4 1 1 1 0 15 5 3 3 1 11 1 40 4 3 1 1 1 0 1 3 0 0 0 0 0 1 3 2 0 2 17 12 9 12 9 3 7 6 8 6 8 3 2 1 0 1 1 0 1 1 0 1 4 4 1 1 1 2 6 5 14 5 3 4 7 3 2 3 2 2 5 17 4 1 2 1 1 1 1 3 20 4 7 31 13 20 34 4 4 3 1 1 6 5 5 1 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 1 1 2 6 1 2 2 2 3 7 11 34 8 20 100 7 4 7 4 2 2 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H \| 72 72 m 3H \| 72 71 m 1H \| 71 71 s 1H \| 37 36 m 5H \| 24 23 d 3H J 8 \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccc(F)cc3)oc2C)c1)C(=O)O	ir: 0 4 7 2 1 2 11 9 7 13 4 10 8 8 12 10 15 17 25 11 45 44 86 61 23 10 6 7 6 5 12 9 10 14 18 3 5 4 5 4 7 5 2 3 2 2 2 1 1 4 1 3 13 19 30 58 24 12 5 4 3 3 4 3 1 2 3 7 13 5 4 6 7 5 7 7 5 37 41 34 13 4 4 7 7 4 2 8 14 5 6 5 8 7 3 3 2 2 4 5 7 6 3 8 7 4 8 9 7 2 8 5 2 3 1 4 8 14 12 16 29 28 10 5 7 8 10 5 4 3 1 3 3 1 1 1 1 1 2 7 8 4 9 3 9 14 9 23 31 14 9 5 20 15 9 9 3 3 1 1 1 2 1 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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 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 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 3 3 4 3 3 2 4 4 4 12 12 10 9 57 100 34 30 20 35 17 5 2 2 3 3 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 94 94 s 1H \| 81 80 m 2H \| 74 74 m 3H \| 73 73 m 2H \| 70 70 ddt 1H J 8 19 83 \| 65 65 dd 1H J 22 49 \| 53 53 d 2H J 9 \| 42 41 t 1H J 64 \| 38 37 dq 1H J 64 114 \| 36 35 dq 1H J 64 115 \| 31 30 ddt 1H J 8 65 138 \| 29 28 ddt 1H J 8 64 138 \| 24 23 s 2H \| 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(Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1)C(F)(F)F	ir: 2 2 5 12 4 5 10 8 15 16 5 18 40 18 9 29 22 5 3 27 78 48 7 1 1 2 5 3 2 1 3 3 9 19 17 18 13 5 2 6 4 4 4 9 4 6 3 1 1 1 1 1 1 1 2 3 8 11 4 6 5 3 7 7 3 13 13 9 14 15 5 7 11 3 10 22 19 3 5 7 8 3 2 1 1 1 1 1 1 1 1 3 16 6 7 2 2 4 14 11 5 11 15 4 1 1 1 3 7 3 11 15 56 28 19 4 7 13 17 12 12 51 30 41 7 6 11 5 6 5 21 3 3 3 2 2 4 4 4 5 46 100 92 27 3 3 39 5 2 1 1 8 15 11 10 4 1 0 7 17 74 7 2 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 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 0 1 0 0 0 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 5 4 2 2 4 12 5 6 29 46 11 1 1 1 4 3 1 1 1 2 2 1 1 1 2 3 2 2 6 10 18 20 62 94 57 10 5 2 2 1 1 1 1 0 0 1 1 1 1 2 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 93 93 d 1H J 19 \| 87 87 td 2H J 16 48 \| 86 85 dd 1H J 14 141 \| 84 84 dt 1H J 18 84 \| 80 79 t 1H J 48 \| 79 79 s 1H \| 76 75 m 2H \| 48 47 ddddd 1H J 31 53 85 108 139 \| 12 11 dq 3H J 36 86	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@@H]1C[C@@H]([C@H](CN2CC(=O)N(c3ccccc3Cl)CC2(C)C)NC(=O)OC(C)(C)C)OC1=O	ir: 2 4 17 7 0 2 3 5 6 12 9 15 5 3 7 4 5 2 3 3 1 4 17 10 26 58 37 30 13 12 14 22 29 11 11 10 13 11 9 3 6 31 48 36 6 3 3 6 3 5 5 4 7 7 3 2 2 1 3 1 2 5 11 5 10 4 3 5 4 8 6 3 5 10 6 6 6 3 4 3 7 13 9 4 26 4 7 7 4 2 1 2 4 4 2 9 16 12 3 10 12 11 7 4 8 9 10 10 17 45 14 13 21 19 10 9 16 5 12 20 7 17 19 9 19 10 8 4 4 19 16 22 10 10 14 7 5 6 5 6 6 19 16 8 28 100 16 20 13 46 33 9 4 2 3 2 2 1 3 3 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 2 1 11 4 2 2 3 2 5 5 3 6 5 13 6 26 37 18 16 37 24 7 3 2 2 3 1 1 1 1 2 1 2 2 1 1 1 1 2 1 6 5 16 43 71 12 3 3 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 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 73 m 3H \| 72 71 m 1H \| 50 50 d 1H J 81 \| 47 47 dddd 1H J 8 38 48 58 \| 42 42 d 2H J 7 \| 41 40 dqd 1H J 17 47 79 \| 35 34 m 2H \| 33 32 dd 1H J 49 125 \| 28 28 dd 1H J 49 124 \| 25 24 m 1H \| 22 21 dddd 1H J 18 58 66 142 \| 20 18 m 2H \| 14 14 s 8H \| 13 12 d 5H J 132 \| 10 9 ddd 7H J 15 67 229	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1nnc(C(=O)NCC2=CCN(C)CC2)cc1-c1ccc(OC2CCCCC2)cc1	ir: 2 2 0 3 1 16 2 2 1 2 3 5 6 9 2 1 1 27 5 5 1 3 1 2 5 1 9 6 13 14 11 2 3 4 4 10 4 4 5 9 10 44 11 3 9 16 3 3 2 2 2 5 3 9 7 11 51 11 6 3 2 5 2 3 10 18 4 44 12 10 7 3 4 4 8 10 2 2 3 11 56 12 3 1 1 2 2 9 8 26 10 6 2 4 5 3 4 49 4 3 1 1 4 5 5 4 1 2 3 14 34 14 8 8 16 27 22 16 6 25 7 9 11 9 8 10 16 3 4 7 3 2 3 3 18 4 3 2 4 0 1 4 14 7 21 100 20 51 19 1 4 19 21 4 1 2 7 0 5 1 1 0 1 3 0 0 0 1 0 0 0 1 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 2 1 5 10 6 5 8 3 4 5 2 5 30 29 21 38 51 46 21 7 2 2 2 2 0 1 1 1 0 1 1 1 1 1 2 5 4 7 24 28 22 88 41 13 3 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 s 1H \| 85 84 t 1H J 58 \| 74 73 m 2H \| 70 70 m 2H \| 56 55 tp 1H J 11 31 \| 45 44 p 1H J 47 \| 39 38 dq 2H J 10 57 \| 32 32 dp 2H J 10 29 \| 30 29 t 2H J 91 \| 28 28 dd 2H J 42 50 \| 25 24 m 2H \| 24 24 s 2H \| 20 19 dddd 2H J 49 63 83 131 \| 18 14 m 13H \| 10 9 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CNCc2cc3ccc(Br)nc3n21	ir: 13 10 10 11 11 11 9 10 11 12 10 14 11 10 10 10 11 11 16 11 10 11 10 10 10 10 11 11 13 15 11 15 13 11 11 9 11 71 69 19 14 9 21 32 18 22 12 11 10 12 11 3 78 0 17 21 12 8 16 15 11 7 13 23 13 42 22 16 10 9 11 12 12 9 11 14 12 9 11 11 10 9 11 11 11 9 11 11 10 11 12 13 11 9 11 11 11 12 11 20 16 10 13 11 16 15 23 13 9 11 14 11 10 13 17 31 35 15 16 11 10 13 13 13 16 18 44 25 21 15 16 14 11 12 13 17 13 19 17 12 12 12 12 10 9 11 11 10 18 25 12 10 11 34 16 10 10 11 11 10 11 11 10 9 10 11 10 9 10 11 10 9 10 12 10 9 10 11 10 9 10 11 10 9 10 11 10 9 11 11 10 9 11 11 10 9 11 11 9 9 11 11 9 10 11 11 9 10 11 11 9 10 11 10 9 10 11 10 9 10 12 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 11 11 10 9 11 11 9 10 11 11 9 10 11 11 9 10 11 11 9 11 11 11 10 10 11 11 9 11 12 11 10 12 13 17 14 13 15 20 31 16 14 11 11 11 12 11 10 11 12 10 10 12 12 12 18 41 100 23 10 12 12 11 10 11 11 10 10 11 11 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 10 11 11 10 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 10 9; 1HNMR: 80 80 dd 1H J 22 77 \| 74 73 d 1H J 78 \| 65 65 dq 1H J 6 22 \| 45 45 qd 1H J 33 58 \| 42 41 ddd 1H J 9 31 139 \| 41 40 ddd 1H J 9 31 139 \| 31 31 dd 1H J 39 115 \| 30 30 tt 1H J 31 38 \| 29 28 dt 1H J 35 115 \| 12 12 d 3H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(-c2ccsc2)cc1F	ir: 0 2 4 2 2 2 4 2 0 3 5 2 1 7 5 2 6 3 4 13 3 7 4 1 1 3 4 1 1 3 4 1 1 5 4 2 3 10 11 9 10 23 23 35 41 14 15 6 4 7 4 5 25 27 64 15 4 6 3 2 4 10 51 9 4 7 6 16 31 4 3 3 5 3 2 1 3 4 2 1 3 3 3 2 3 3 2 3 6 27 27 6 6 3 1 1 6 3 26 4 36 11 1 3 6 16 7 3 4 2 1 2 4 2 0 2 4 2 0 3 4 2 0 3 4 2 1 3 6 10 2 3 5 3 2 3 5 4 5 18 8 28 16 6 5 5 7 64 7 2 3 5 14 5 2 5 3 1 1 4 2 1 2 4 2 7 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 0 2 3 2 1 3 3 2 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 0 2 3 2 0 2 4 2 0 2 3 2 1 2 4 2 1 2 3 2 1 2 3 1 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 3 2 1 2 4 3 1 2 4 3 3 4 4 10 100 22 16 19 40 21 9 9 5 5 3 2 2 3 3 2 1 2 3 2 1 2 3 2 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 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 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 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 75 75 t 1H J 16 \| 75 74 dd 1H J 17 54 \| 74 74 ddt 2H J 20 39 82 \| 73 73 ddd 1H J 21 35 121 \| 72 71 ddd 1H J 47 93 102	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCn1c(=O)n(CC(C)O)c(=O)c2[nH]c(C34CC5CC(CC3C5)C4)nc21	ir: 8 4 4 4 6 3 2 2 2 6 2 1 0 3 4 6 2 5 2 1 1 1 1 1 0 1 2 1 1 2 2 0 1 3 4 4 1 2 1 1 1 2 5 16 2 7 2 0 1 4 2 1 5 17 5 3 7 5 3 10 11 22 7 6 2 5 1 2 5 3 3 6 6 7 7 16 4 5 5 3 1 2 3 3 3 7 4 8 9 23 1 6 6 11 8 10 29 23 14 38 11 7 6 25 11 10 18 15 19 13 30 24 33 51 32 29 16 22 26 26 24 11 6 5 6 5 9 9 27 15 11 5 2 3 4 11 7 4 3 2 2 1 1 1 3 2 2 43 6 4 6 35 5 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 1 2 1 0 1 1 1 1 1 1 1 1 2 2 1 2 2 2 1 2 3 10 5 4 6 14 29 44 11 9 6 12 17 10 53 100 44 9 5 2 4 3 2 2 2 6 23 2 1 21 79 13 4 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 44 43 dd 1H J 54 118 \| 42 41 m 4H \| 30 30 d 1H J 56 \| 24 23 ddq 2H J 47 55 103 \| 20 20 m 3H \| 19 18 m 6H \| 18 17 dt 2H J 75 150 \| 17 16 m 3H \| 13 12 d 3H J 68 \| 11 10 t 3H J 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNS(=O)(=O)NC(=O)c1ccc(Oc2cnc(OC(C)C)c(Cl)c2)c(-c2cccnc2OC)c1	ir: 1 2 1 2 2 3 3 6 4 6 7 8 5 2 5 4 7 3 2 5 8 4 5 4 2 2 1 3 3 2 2 2 7 6 6 9 11 26 100 28 36 6 8 5 6 10 2 1 3 2 2 4 10 22 16 33 15 22 14 6 2 1 3 12 3 6 2 5 20 7 7 1 5 3 10 2 3 7 13 13 6 3 4 4 11 11 14 10 9 34 17 17 4 3 3 2 3 6 3 2 5 5 5 5 3 7 8 12 4 16 9 9 13 9 17 12 4 14 5 14 7 5 1 5 7 6 4 3 8 5 13 44 22 6 8 16 8 13 15 9 23 19 16 2 58 6 16 16 3 4 9 4 3 22 16 6 2 6 2 3 3 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 0 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 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 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 4 2 9 34 17 5 2 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 2 6 12 12 17 34 40 10 8 4 3 2 2 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 14 \| 81 81 dd 1H J 22 42 \| 78 78 dd 1H J 15 82 \| 77 77 dd 1H J 20 77 \| 77 77 d 1H J 16 \| 73 72 m 2H \| 72 71 d 1H J 16 \| 71 70 d 1H J 82 \| 66 66 q 1H J 64 \| 51 50 p 1H J 60 \| 40 40 s 2H \| 27 26 d 3H J 64 \| 16 15 d 6H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)CN1CCC(n2ccc3ccccc32)CC1	ir: 11 7 7 5 5 3 3 2 3 3 5 8 9 7 11 7 13 6 3 2 1 2 2 4 5 3 2 2 3 52 7 2 2 5 6 17 23 10 4 0 2 12 13 80 8 4 2 4 3 3 3 4 5 3 5 5 3 4 2 2 2 3 4 3 3 4 11 10 17 10 8 3 4 8 6 4 5 3 5 6 6 100 11 12 9 19 23 30 16 12 31 13 13 7 9 8 10 10 10 12 10 28 44 32 16 20 35 25 47 9 2 9 11 11 13 6 11 6 7 4 3 4 4 5 4 7 6 8 8 6 5 3 5 4 5 9 22 24 3 6 7 8 4 4 24 3 2 3 3 4 7 14 14 39 8 5 5 3 2 2 2 7 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 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 2 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 3 2 3 2 3 3 6 7 7 5 4 5 4 11 9 18 14 16 28 60 53 15 46 45 20 8 4 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 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; 1HNMR: 75 75 dt 1H J 15 69 \| 75 74 m 1H \| 74 73 m 1H \| 72 71 td 1H J 15 69 \| 71 70 td 1H J 12 67 \| 64 64 m 1H \| 43 42 h 1H J 33 \| 33 32 q 2H J 128 \| 31 30 ddd 2H J 37 64 114 \| 29 28 ddd 2H J 37 64 114 \| 22 21 ddt 2H J 35 67 119 \| 20 19 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(N(C)C)cc3)ncc2c1=O	ir: 3 3 3 2 3 4 1 1 2 2 1 1 1 2 3 9 5 4 6 3 2 3 2 3 4 16 22 8 6 3 2 2 4 2 3 2 3 14 62 6 4 4 1 5 2 2 7 67 8 12 4 1 6 11 4 20 15 16 8 4 2 2 2 5 2 6 4 8 3 5 3 2 3 2 19 1 2 2 2 2 2 8 1 1 5 3 8 2 1 1 4 4 10 2 11 3 9 5 2 5 6 6 1 2 22 24 3 2 2 2 3 2 6 4 2 2 1 9 5 4 1 1 2 1 1 2 2 4 1 2 2 2 20 2 2 0 5 4 1 3 4 13 23 4 2 1 1 31 9 3 7 8 31 100 20 7 6 2 4 49 9 16 2 3 4 27 4 3 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 2 1 2 2 2 1 1 1 2 2 2 13 2 10 33 11 8 8 11 4 1 2 1 2 2 1 1 1 2 1 1 1 1 1 3 1 3 2 5 34 21 22 9 3 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 87 s 1H \| 75 74 m 2H \| 72 71 dt 1H J 9 19 \| 70 69 m 2H \| 68 67 m 2H \| 43 42 q 2H J 71 \| 29 29 s 5H \| 29 28 dddd 5H J 8 44 56 64 \| 22 21 pd 2H J 11 63 \| 13 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(I)OC(=O)OC1CCCC1	ir: 23 51 85 36 36 26 26 22 20 20 19 21 24 31 22 20 19 21 24 21 22 20 23 20 21 25 19 20 20 20 20 19 19 19 23 21 34 20 20 20 19 21 23 23 22 24 21 21 21 26 22 20 22 22 22 22 21 29 22 93 23 17 20 30 21 19 21 22 21 23 25 20 23 19 20 23 22 26 21 21 19 18 19 19 18 18 19 19 19 20 21 21 21 22 19 19 19 19 20 20 19 21 23 25 27 33 78 22 42 53 42 34 37 26 24 29 28 52 87 39 21 28 34 46 30 28 37 32 23 22 28 19 17 21 24 18 15 22 24 15 13 26 27 7 5 53 72 100 45 0 10 30 24 10 15 26 21 12 17 24 20 14 18 23 19 14 18 23 19 15 18 22 19 15 19 22 18 16 19 21 18 16 19 21 18 17 19 20 18 17 19 20 18 17 20 20 18 17 20 20 17 18 20 19 17 18 20 19 17 18 20 19 17 18 20 19 17 18 20 19 17 18 20 19 17 18 20 19 17 19 20 18 17 19 20 19 17 19 20 18 17 19 20 18 18 19 20 18 18 19 20 18 18 19 20 18 18 20 19 18 18 20 19 18 18 20 20 18 19 21 22 19 23 22 29 24 32 25 29 23 25 33 24 24 50 28 23 19 20 20 19 18 19 20 19 18 19 19 19 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 19 19; 1HNMR: 59 58 tq 1H J 16 44 \| 51 50 p 1H J 39 \| 25 24 m 1H \| 22 21 m 1H \| 20 19 m 2H \| 19 16 m 5H \| 11 10 td 3H J 15 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC(=O)c1c(-c2ccc3cc(O)ccc3c2)oc2ccccc12	ir: 1 1 2 1 1 2 1 1 1 2 6 5 3 2 2 3 1 1 0 0 1 1 1 1 1 1 1 1 1 3 1 3 5 3 14 6 5 4 2 1 1 1 2 0 1 1 1 3 3 2 2 3 1 5 5 3 1 1 1 1 0 1 1 2 3 2 3 4 8 2 3 1 1 0 1 1 1 2 4 10 17 5 1 0 2 1 1 1 1 4 2 2 1 1 0 1 1 1 0 1 2 3 1 8 2 1 2 1 0 3 2 1 1 2 1 1 3 1 3 1 3 1 0 3 7 2 9 1 1 2 1 1 1 0 0 0 0 2 6 7 2 1 3 4 7 5 1 1 1 1 13 5 1 1 2 3 10 6 1 1 0 0 0 2 1 0 0 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 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 0 1 2 1 2 1 6 15 18 40 36 3 3 2 2 5 4 100 12 2 2 1 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 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; 1HNMR: 84 83 t 1H J 21 \| 81 80 m 1H \| 79 78 m 3H \| 76 75 m 1H \| 74 73 m 3H \| 73 73 t 1H J 22 \| 69 69 dd 1H J 22 88 \| 30 30 d 2H J 72 \| 22 21 dp 1H J 71 141 \| 10 10 d 6H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(CCSc1nc(C)c(CC(=O)OCC)s1)c1oc2cc(C(F)(F)F)ccc2c1C	ir: 8 7 8 4 13 5 7 4 2 6 6 5 7 4 9 2 2 2 2 2 2 6 8 10 19 8 12 8 3 4 4 4 3 5 5 5 3 4 2 3 6 6 3 11 9 12 6 3 8 8 3 4 11 2 49 17 8 13 4 1 3 8 6 11 5 10 23 48 9 5 7 8 14 9 16 20 5 9 16 5 4 3 2 1 2 3 2 4 7 18 7 4 6 10 15 13 14 23 19 44 100 27 53 15 21 10 1 5 11 19 80 62 16 17 29 38 18 35 14 51 38 12 13 14 10 32 17 32 53 17 12 11 7 4 3 4 3 2 2 4 7 28 6 8 21 16 12 10 4 2 1 5 11 3 3 3 2 1 1 3 2 0 6 3 2 0 1 3 2 0 1 3 2 0 2 3 2 1 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 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 1 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 2 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 4 5 6 11 8 5 6 18 10 14 16 10 7 12 10 20 57 56 34 21 75 22 12 6 4 4 3 2 1 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 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 2 1 1 2 1 1 1 2; 1HNMR: 77 76 d 1H J 104 \| 76 75 dp 1H J 8 24 \| 75 74 ddq 1H J 13 25 106 \| 42 41 q 2H J 66 \| 38 37 s 2H \| 32 31 dt 1H J 66 147 \| 31 30 dt 1H J 65 148 \| 28 27 m 1H \| 24 23 s 2H \| 23 23 s 2H \| 22 21 m 1H \| 19 18 m 2H \| 16 15 m 1H \| 14 13 m 1H \| 14 13 m 1H \| 13 13 m 2H \| 13 12 q 4H J 63 \| 9 8 t 3H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1OCC	ir: 6 8 1 4 5 7 6 5 4 4 9 8 6 9 9 2 3 5 3 7 5 3 8 5 4 10 9 2 3 2 2 2 2 2 1 2 3 2 1 2 2 2 1 1 1 4 12 12 2 5 8 9 7 10 5 7 4 5 8 1 3 7 2 10 6 13 25 36 20 25 39 32 21 12 4 5 4 3 12 5 9 9 6 20 28 14 27 25 20 15 48 24 38 18 7 7 6 4 4 3 2 4 2 3 4 3 4 4 4 2 5 3 1 3 2 1 3 2 3 5 1 5 3 7 17 13 9 9 14 6 5 34 36 21 21 10 5 3 4 5 3 3 2 4 1 0 1 1 1 3 5 7 2 1 2 1 0 1 8 4 0 0 1 1 1 1 0 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 0 0 0 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 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 2 2 1 2 5 13 10 16 30 22 10 6 4 5 7 24 43 15 9 3 4 4 10 12 8 9 10 7 14 15 44 100 26 9 6 2 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dd 1H J 17 87 \| 77 77 dd 1H J 11 97 \| 75 75 d 1H J 17 \| 74 74 dd 1H J 75 97 \| 70 69 d 1H J 87 \| 67 66 dd 1H J 12 74 \| 43 42 t 2H J 51 \| 42 41 dq 4H J 63 201 \| 38 37 s 2H \| 37 37 dd 2H J 51 121 \| 36 35 t 2H J 35 \| 35 34 m 4H \| 32 31 qt 2H J 34 152 \| 15 14 t 6H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(OC[C@H]2OC[C@H](N)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ir: 26 14 15 8 12 4 7 5 3 3 6 2 3 9 3 4 1 4 5 3 2 3 3 3 2 2 2 1 1 2 5 12 11 5 6 14 9 4 5 1 48 18 4 15 5 2 3 5 4 3 3 8 3 45 18 8 6 7 8 13 14 20 11 27 21 7 61 16 12 5 14 6 20 11 33 68 19 4 8 4 4 8 12 17 5 3 3 5 8 15 44 13 64 14 6 6 3 1 2 1 0 1 1 1 0 2 6 7 2 1 3 4 16 3 6 28 4 2 5 2 1 4 2 9 8 15 13 24 17 20 18 14 19 47 19 26 4 3 2 2 2 1 2 4 15 13 4 3 8 17 12 9 5 7 2 1 1 1 1 0 2 1 2 2 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 0 1 1 0 0 1 1 1 1 0 0 1 0 1 1 0 1 1 1 1 1 1 1 2 2 4 1 2 1 2 2 4 3 0 20 17 36 100 38 22 5 3 3 11 80 29 2 1 4 6 9 40 37 23 11 14 19 8 6 86 10 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 m 2H \| 73 72 m 3H \| 72 71 m 4H \| 69 69 m 4H \| 40 39 m 1H \| 38 38 s 5H \| 38 37 dd 1H J 16 120 \| 37 35 m 2H \| 35 34 dd 1H J 42 120 \| 34 34 dd 1H J 44 121 \| 31 30 m 3H \| 29 29 d 1H J 66 \| 21 20 dt 1H J 49 146 \| 19 18 dt 1H J 77 146	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)Nc2ccc3ccc(C#N)nc3n2)cc1	ir: 0 1 1 1 0 1 2 3 1 1 2 2 6 3 3 1 1 1 1 1 0 1 2 1 1 1 3 1 2 2 4 3 3 5 2 2 1 2 3 6 13 47 28 7 10 2 1 5 5 2 4 8 3 5 7 28 41 25 4 2 2 2 2 1 2 3 6 18 2 2 2 1 1 1 1 3 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 3 1 7 2 2 1 1 1 1 2 2 5 2 4 1 3 1 1 2 2 5 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 6 4 2 1 1 2 2 2 15 7 6 100 31 4 4 26 28 11 9 21 16 2 4 4 6 20 7 3 1 0 2 13 24 5 1 0 1 1 1 0 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 2 1 2 8 5 26 50 11 4 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 8 67 2 3 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 99 99 s 1H \| 83 83 m 1H \| 83 82 m 1H \| 79 79 m 2H \| 78 77 d 1H J 70 \| 75 75 d 1H J 86 \| 70 70 m 2H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1N=C(C2CCCCC2)c2ccccc2NC1=S	ir: 11 11 3 7 10 7 2 23 31 7 8 11 11 5 5 10 34 13 1 6 9 4 2 9 10 11 14 13 11 13 73 51 23 6 7 11 9 3 4 12 15 41 66 35 12 5 7 16 6 1 8 19 8 1 6 10 6 2 12 17 9 3 52 74 8 2 14 27 15 10 11 11 7 3 29 42 49 41 68 100 18 7 10 10 8 6 7 9 3 4 8 7 3 5 16 17 2 4 9 6 2 8 10 8 5 7 11 28 5 18 40 19 6 16 31 25 18 13 13 10 7 9 11 11 12 19 39 35 85 20 29 9 12 21 16 18 6 9 8 3 5 8 9 9 48 71 12 3 7 26 48 3 4 8 7 4 4 7 5 2 8 16 8 2 4 8 5 0 4 9 4 0 4 8 4 0 4 8 4 1 5 8 4 1 5 8 3 2 5 7 3 2 6 7 3 2 6 6 3 3 6 7 2 3 7 6 2 3 7 5 2 3 7 5 1 3 7 5 1 3 7 5 1 4 8 4 0 4 8 4 0 4 8 4 1 5 8 4 1 5 7 3 1 5 7 3 2 6 7 3 2 6 7 3 2 6 6 3 3 6 6 2 3 6 6 2 4 7 6 2 3 8 6 4 5 9 8 4 7 8 10 15 8 18 17 4 28 17 22 9 8 8 4 2 8 11 7 5 8 19 38 12 31 50 10 15 34 12 8 34 32 56 31 20 6 6 4 4 6 5 3 3 6 5 3 4 6 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 4 1 5 7 4 2 5 7 4 2 5 7 4 2 5 6 3 2 5 6 3 3 5 6 3 3 6 6 3 3 6 5 3 3 6 5 2 3 6 5 2 4 6 5 2 4 6 5 2 4 7 4 2 4 7 4 2; 1HNMR: 82 82 dd 1H J 14 79 \| 78 78 dd 1H J 16 78 \| 75 75 td 1H J 16 79 \| 71 71 td 1H J 14 79 \| 54 54 t 1H J 61 \| 42 42 d 2H J 60 \| 26 25 p 1H J 56 \| 20 19 ddt 2H J 55 76 126 \| 18 16 m 4H \| 16 14 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCSc1nc(O)c(C(N)=O)c(NC2CC2)n1	ir: 1 5 4 4 6 3 14 9 4 6 9 9 10 14 8 8 8 23 4 15 14 33 28 14 7 12 16 8 5 8 8 5 6 10 13 5 7 9 21 14 27 100 68 75 28 16 20 10 8 5 5 8 5 3 4 4 3 2 3 2 2 2 2 2 4 6 9 11 14 12 8 7 5 7 9 6 9 6 3 3 7 6 11 3 5 4 3 6 8 2 3 1 2 2 3 3 3 4 3 10 1 3 44 7 6 4 2 3 3 3 4 12 18 3 1 2 4 4 4 4 23 27 7 2 2 2 2 2 2 2 2 3 5 13 13 4 3 2 3 5 16 28 13 5 4 3 3 4 4 1 5 41 58 18 24 29 12 24 37 9 5 11 5 4 2 3 2 1 1 2 1 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 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 2 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 3 2 6 3 4 4 3 2 2 2 6 3 2 2 2 3 2 0 47 0 3 3 2 2 8 20 4 2 3 6 5 10 24 27 52 44 13 72 50 9 1 1 4 3 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 86 86 d 1H J 70 \| 76 76 s 2H \| 33 32 dp 1H J 49 70 \| 32 31 q 2H J 71 \| 15 14 t 3H J 71 \| 9 8 m 2H \| 7 6 dddd 2H J 8 50 81 89	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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