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DeerEyeRain
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train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
COCCOc1nc(N)c2nc(Br)n(Cc3cccc(C(=O)OC)c3)c2n1	ir: 2 3 2 4 2 2 4 4 5 2 2 2 2 2 2 3 5 3 2 4 1 3 3 4 3 1 3 2 3 4 3 4 3 3 3 2 1 3 1 3 1 2 3 2 1 3 8 6 3 4 6 6 14 13 9 7 6 5 2 2 2 1 3 2 4 3 3 4 2 3 2 2 1 2 1 4 1 1 4 3 2 5 6 4 2 1 2 3 1 1 1 2 7 2 0 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 3 7 5 2 2 2 1 3 4 3 3 2 13 5 1 1 0 1 1 1 1 0 1 1 1 1 5 3 1 0 26 3 11 8 6 4 13 34 5 2 16 43 4 3 2 2 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 2 5 19 7 2 1 3 1 1 1 1 1 1 1 1 1 0 1 1 1 6 20 3 1 1 1 1 1 1 1 1 2 7 100 7 1 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 dp 1H J 9 20 \| 79 79 m 1H \| 73 73 m 2H \| 71 71 s 2H \| 55 55 t 2H J 7 \| 45 45 t 2H J 58 \| 39 39 s 3H \| 38 37 t 2H J 58 \| 34 34 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(N)n(-c2cc(CC(N)=O)c3ccccc3c2)n1	ir: 5 5 3 8 4 6 2 5 3 10 3 3 2 9 1 6 3 2 5 2 3 5 3 4 7 7 11 5 3 3 2 1 1 3 4 0 1 1 1 1 3 3 6 2 2 4 1 0 2 2 1 1 1 1 1 2 1 1 1 1 2 3 1 0 0 1 1 2 2 2 0 1 6 5 2 3 4 3 2 0 2 9 2 1 1 1 1 1 0 1 0 1 0 0 1 1 1 2 1 3 1 0 0 0 1 1 3 3 2 2 0 2 3 1 0 0 1 1 1 2 3 1 1 1 1 1 1 2 3 1 2 1 2 3 4 2 2 1 1 1 0 1 12 2 5 5 3 2 2 1 1 2 2 10 11 3 7 37 17 6 12 12 21 4 2 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 1 3 3 3 4 12 15 11 2 1 0 1 0 0 0 0 0 1 1 1 3 4 10 13 8 3 3 1 1 0 1 1 2 3 8 63 100 7 6 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 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; 1HNMR: 81 80 m 1H \| 80 79 m 1H \| 79 78 t 1H J 22 \| 78 78 m 1H \| 76 75 m 1H \| 74 74 dq 1H J 7 22 \| 66 65 s 2H \| 57 57 s 1H \| 44 44 s 2H \| 37 37 d 2H J 9 \| 13 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cn2nc(Oc3cccc(NC(=O)c4cc(C)nn4C)c3)ccc2n1	ir: 2 5 5 4 4 3 3 3 4 1 7 1 3 4 3 4 4 4 2 2 3 2 2 2 2 1 2 5 2 4 3 4 2 1 1 1 3 1 1 2 2 1 2 1 3 4 5 8 8 2 1 2 2 0 7 13 5 2 5 11 12 10 4 4 2 1 3 5 8 3 9 3 2 1 2 2 1 1 2 2 3 3 4 2 10 14 3 2 1 0 1 2 1 5 2 3 1 2 2 2 1 3 4 2 2 3 6 11 5 8 2 7 2 2 1 4 9 6 6 5 9 12 5 2 1 4 11 3 7 1 6 4 5 11 4 2 3 2 2 3 5 8 3 2 3 2 9 3 3 2 7 4 6 8 4 20 15 4 1 1 1 4 2 1 1 1 1 0 1 3 3 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 3 5 2 3 2 2 1 2 2 1 2 4 6 7 11 9 43 13 26 100 30 20 5 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 2 3 2 5 17 16 10 9 3 2 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 100 99 s 1H \| 95 94 s 1H \| 83 82 s 1H \| 75 75 d 1H J 90 \| 73 73 m 3H \| 70 70 m 2H \| 64 64 s 1H \| 40 40 s 3H \| 23 22 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.
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)OCc1ccccc1	ir: 6 5 3 11 20 14 8 5 14 13 46 8 3 5 2 3 2 2 1 3 2 2 3 2 3 2 9 18 26 39 12 9 8 5 7 3 3 3 11 13 43 4 2 2 2 2 2 2 2 1 2 1 1 1 1 2 4 4 2 2 2 5 6 4 1 2 4 3 5 5 4 2 2 2 2 1 2 4 4 2 3 2 1 2 1 1 1 2 2 8 3 2 2 3 3 2 3 6 4 3 3 3 4 4 6 9 10 10 3 7 3 3 2 8 32 11 5 3 3 6 4 8 9 5 4 5 3 5 5 3 6 6 9 48 9 10 4 2 2 3 3 2 12 20 34 100 42 6 9 66 12 60 3 4 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 3 1 2 4 3 2 1 2 3 7 7 11 36 8 11 83 24 7 2 2 2 2 1 2 2 1 1 1 2 1 1 1 1 1 2 2 3 4 17 66 8 8 5 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 6H \| 51 51 s 2H \| 47 47 d 1H J 86 \| 43 42 dddt 1H J 17 35 51 85 \| 41 40 ddp 1H J 15 33 49 \| 40 39 dd 1H J 16 120 \| 39 38 dd 1H J 14 124 \| 36 36 m 2H \| 33 33 d 3H J 14 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(-c2ccncn2)s1	ir: 5 13 6 8 3 5 2 9 8 5 8 10 19 17 13 14 21 29 47 92 81 74 49 19 10 12 10 71 36 12 4 6 8 28 61 36 31 29 24 48 14 38 4 10 6 9 8 9 14 10 6 5 3 2 3 6 5 3 6 5 7 2 3 6 16 16 4 5 3 5 6 9 21 14 18 18 32 77 24 37 32 24 25 31 35 25 20 11 2 2 3 2 1 2 2 3 1 3 18 10 20 13 13 5 2 2 1 3 2 2 15 31 100 42 22 11 7 3 3 2 0 1 2 1 1 2 2 3 2 3 3 4 16 56 13 5 2 12 15 20 15 47 53 33 6 13 60 17 93 11 3 5 1 12 8 9 28 80 67 44 10 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 2 2 6 31 38 39 21 26 18 9 4 4 5 4 8 27 46 22 5 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 91 91 t 1H J 16 \| 87 87 dd 1H J 17 39 \| 80 80 d 1H J 73 \| 77 77 dd 1H J 15 40 \| 77 76 d 1H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)NC(=O)c1cc(N)ccc1OC(c1ccccc1)c1ccccc1	ir: 13 14 5 11 16 4 7 9 10 3 2 3 3 4 4 4 2 3 1 2 1 1 1 1 1 1 2 1 2 4 9 24 8 6 11 8 9 14 3 10 16 6 8 5 10 6 20 7 2 2 1 2 6 8 8 27 3 0 1 3 1 1 2 3 2 1 5 5 6 12 1 2 2 6 2 2 1 2 7 3 9 9 3 1 1 0 1 1 3 14 7 3 2 1 3 2 1 2 3 1 1 1 2 2 3 2 3 4 0 2 2 2 1 1 2 1 2 3 5 5 2 2 2 2 1 5 2 1 1 3 11 5 1 1 2 14 8 11 2 2 2 2 9 14 15 13 12 4 7 4 4 7 16 19 10 26 22 47 3 2 2 2 2 1 9 2 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 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 4 9 8 11 13 32 22 8 4 2 1 1 1 1 1 1 1 1 1 1 1 2 2 6 67 3 3 6 7 14 9 5 6 2 6 100 20 2 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 74 73 m 13H \| 73 73 s 1H \| 71 70 d 1H J 86 \| 69 69 dd 1H J 22 86 \| 63 62 s 1H \| 45 45 s 2H \| 15 15 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1cc(-c2cccnc2OCc2ccccc2)cc(C(C)(C)C)c1OC	ir: 5 1 1 1 2 1 4 9 5 4 5 3 2 1 0 3 4 1 0 1 2 1 1 5 15 2 2 4 11 6 4 7 9 37 4 1 6 11 57 100 78 20 14 6 5 11 4 2 6 6 1 0 1 1 1 1 1 1 2 1 6 7 19 49 6 6 19 16 32 18 7 3 7 5 19 11 12 4 18 5 4 1 2 1 2 8 15 4 2 6 3 1 2 2 2 6 4 5 6 6 4 9 5 1 1 1 1 3 1 1 1 1 1 2 3 3 2 2 4 2 3 5 4 4 15 6 3 10 5 8 7 11 67 45 19 20 2 7 6 3 2 3 9 23 10 89 8 3 1 1 1 5 5 2 20 8 5 4 3 1 1 1 1 3 5 12 5 2 1 2 1 0 1 1 1 1 9 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 2 2 2 1 1 2 1 1 1 1 2 1 4 6 19 15 27 62 70 24 6 4 3 2 2 2 3 1 1 1 1 2 4 71 14 5 1 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 dd 1H J 22 42 \| 79 78 dd 1H J 20 77 \| 77 77 d 1H J 20 \| 75 75 d 1H J 20 \| 74 74 ddt 2H J 9 16 67 \| 74 73 m 2H \| 73 73 ddt 1H J 15 60 78 \| 71 70 dd 1H J 42 77 \| 53 53 t 2H J 8 \| 39 39 s 3H \| 34 33 s 1H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(C)nn1Cc1ccccc1	ir: 2 5 4 4 2 5 16 8 7 9 2 1 1 1 1 1 1 5 2 2 6 14 14 4 4 1 1 19 11 3 7 3 4 15 2 2 3 3 10 9 3 4 3 2 2 7 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 0 8 1 3 6 10 9 14 8 5 3 4 1 2 1 1 1 1 1 1 1 1 11 2 2 2 5 6 1 2 2 10 2 1 5 1 1 1 1 0 1 1 1 0 1 1 1 0 29 6 4 12 3 2 3 4 2 1 1 1 1 1 2 4 2 4 2 2 18 33 10 2 1 1 2 7 17 27 12 100 45 3 1 1 2 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 0 0 0 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 0 1 1 0 1 1 1 0 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 3 1 1 1 1 2 3 2 3 10 12 16 76 41 46 6 5 11 1 1 1 2 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 72 m 6H \| 68 67 s 1H \| 57 56 t 2H J 8 \| 38 38 s 3H \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)CN(C2CCCCC2)C1=O	ir: 13 18 11 8 7 8 9 8 7 8 9 8 8 8 11 8 10 8 9 8 15 9 17 9 7 8 9 8 7 11 10 15 9 9 9 9 9 12 19 28 24 18 12 10 10 8 8 9 9 8 8 9 10 8 11 9 9 8 9 10 8 9 8 7 8 9 8 9 9 9 9 8 12 9 8 8 9 11 9 8 8 8 8 9 12 10 9 9 10 9 8 9 9 8 8 8 9 8 7 8 9 10 8 8 10 8 7 8 10 10 10 13 11 12 8 11 17 19 28 27 11 13 15 14 16 17 12 13 13 9 8 9 10 10 12 12 11 14 59 20 11 8 7 9 9 7 7 10 20 87 7 13 11 1 10 60 100 51 15 0 7 13 9 4 7 11 8 5 8 10 8 6 8 9 8 6 8 9 8 7 8 9 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 8 8 8 7 8 8 8 8 8 8 8 8 8 8 8 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 12 13 11 12 13 10 10 11 9 11 18 18 13 14 10 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 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: 41 40 p 1H J 60 \| 41 40 s 2H \| 32 32 s 3H \| 20 19 m 2H \| 17 16 m 3H \| 15 14 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1nccc2cc(S(=O)(=O)Nc3cnsn3)ccc12	ir: 9 3 3 4 11 3 2 6 10 7 12 3 4 5 2 6 3 2 1 2 3 2 2 2 7 7 6 6 4 2 6 16 20 10 10 5 7 5 5 4 2 6 13 6 3 7 6 11 25 24 32 8 13 10 8 11 4 8 5 4 6 2 5 10 12 37 19 24 46 16 15 16 3 3 4 9 8 13 3 6 1 2 7 10 15 47 15 2 2 3 3 1 19 2 2 1 5 8 2 5 2 3 6 12 15 33 8 5 5 4 3 4 2 4 1 2 2 7 15 37 8 3 12 6 6 3 12 5 18 2 1 1 1 3 18 16 4 4 4 11 32 13 6 7 2 14 2 2 2 1 10 32 8 8 7 9 3 4 1 3 1 0 1 2 0 0 1 4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 2 4 5 10 34 78 62 9 5 2 1 1 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 3 22 100 31 3 5 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; 1HNMR: 86 86 m 2H \| 83 83 d 1H J 95 \| 82 82 s 1H \| 81 80 dd 1H J 22 95 \| 79 79 s 1H \| 78 77 dd 1H J 22 46 \| 74 73 m 3H \| 72 71 m 2H \| 71 70 dddd 1H J 15 22 75 99 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nnc2ccc(OC3CCC3)nn12	ir: 8 14 7 4 4 3 3 6 12 17 9 9 5 6 8 11 4 3 3 5 3 7 34 9 4 4 5 3 4 3 3 3 3 3 2 4 4 3 3 3 3 3 3 2 3 2 3 3 2 2 2 4 2 2 2 4 3 33 28 20 5 5 2 8 3 2 2 2 2 2 2 2 2 2 3 2 4 2 2 8 2 2 2 2 2 2 2 2 2 3 2 7 2 2 2 2 2 2 2 2 3 25 3 2 3 2 2 2 2 2 2 2 2 2 19 2 2 2 2 3 2 2 2 2 2 48 2 2 2 2 3 2 3 3 4 3 3 0 5 2 4 10 4 2 3 5 2 2 2 2 11 8 3 7 44 58 14 5 4 3 4 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 6 4 2 3 3 2 3 4 3 2 4 13 7 2 2 4 3 3 3 2 2 2 2 2 2 2 2 14 20 3 2 2 2 2 2 3 2 2 3 7 100 4 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 83 82 d 1H J 97 \| 70 70 d 1H J 97 \| 61 61 s 2H \| 48 47 m 1H \| 21 20 m 2H \| 18 17 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc2c(c1)CCCC2=O)OCc1ccccc1	ir: 3 9 4 5 6 1 2 1 3 3 3 3 5 3 1 3 7 8 3 4 9 26 12 8 6 8 19 11 12 14 4 12 5 2 1 8 6 15 31 46 33 16 13 30 21 12 6 6 7 5 9 15 3 11 7 23 13 12 4 2 1 5 2 1 3 18 26 7 8 34 3 3 15 4 1 1 3 3 3 1 2 2 1 0 2 2 1 4 8 21 4 5 3 15 5 3 4 9 8 2 4 3 2 7 10 19 1 4 2 2 1 6 8 8 2 3 3 3 1 7 8 21 34 11 2 13 7 2 3 5 14 7 2 8 18 16 32 9 3 3 2 2 12 6 30 10 6 7 10 53 27 11 46 19 30 40 2 5 2 1 2 2 3 16 7 2 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 2 2 4 3 3 3 4 3 3 2 1 6 5 42 20 30 100 50 18 7 4 5 5 4 1 2 3 1 1 1 2 1 1 2 2 1 0 2 3 4 20 19 13 4 1 2 1 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 77 s 1H \| 76 76 d 1H J 89 \| 75 75 dt 1H J 9 19 \| 74 73 m 7H \| 52 51 s 2H \| 29 28 m 2H \| 27 27 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.
O=C(CCc1ccccc1)NC1CCCc2c1[nH]c1ccc(Br)cc21	ir: 0 3 7 1 1 10 4 1 23 8 6 2 2 3 21 7 2 5 17 6 5 5 7 2 1 4 7 25 16 29 24 5 16 11 9 17 100 88 25 13 37 77 18 20 10 5 4 6 2 4 2 2 3 5 15 1 2 2 1 1 3 4 7 6 2 10 5 15 7 13 3 1 4 4 5 2 3 2 2 3 2 2 0 7 2 2 0 1 2 25 3 1 4 3 1 3 8 13 13 9 4 2 2 2 4 23 5 19 9 2 2 8 9 5 3 3 4 4 9 17 9 4 2 4 12 2 1 2 3 3 0 4 3 6 5 9 5 2 2 2 30 3 37 91 27 35 15 41 52 10 3 7 4 3 3 56 3 1 1 2 1 1 7 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 1 2 5 3 6 4 4 2 2 2 5 6 9 11 26 19 54 29 12 5 2 8 2 2 1 2 2 2 2 2 2 2 3 5 3 2 10 6 27 29 94 38 32 46 17 8 3 1 5 3 2 0 1 2 3 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 87 87 s 1H \| 75 75 d 1H J 70 \| 74 73 d 1H J 22 \| 73 72 m 5H \| 72 71 ddt 2H J 8 15 75 \| 48 48 m 1H \| 29 27 m 4H \| 26 25 m 2H \| 23 22 m 1H \| 21 20 m 2H \| 20 19 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1ncc[nH]1	ir: 0 5 2 3 9 4 10 4 2 4 3 3 8 2 7 4 12 19 15 16 6 4 4 1 2 2 2 2 2 1 1 1 1 0 1 0 0 1 1 1 1 11 15 2 3 1 2 1 1 1 1 0 14 2 5 4 2 3 8 13 4 7 9 9 18 4 5 2 2 6 3 5 3 3 1 1 4 2 1 1 1 3 1 1 2 1 1 2 2 5 2 1 3 16 5 5 4 4 21 66 38 4 3 15 10 8 2 34 27 11 14 22 1 3 7 4 9 13 39 37 17 10 5 8 7 9 7 13 30 22 18 16 6 5 3 3 3 2 2 1 0 1 3 0 1 13 13 25 8 1 0 2 1 1 0 1 1 0 1 1 1 7 5 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 2 2 2 3 5 8 1 5 5 5 8 5 4 5 7 16 10 11 16 100 19 6 5 15 21 4 2 1 1 1 1 2 2 5 21 11 2 2 0 1 2 1 2 9 6 5 8 12 16 10 7 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 dd 1H J 28 52 \| 75 75 d 1H J 29 \| 66 66 d 1H J 97 \| 42 41 ddq 1H J 15 31 62 \| 40 39 dddd 1H J 29 43 57 98 \| 39 38 dd 1H J 20 126 \| 37 36 m 2H \| 35 34 ddd 1H J 60 88 128 \| 34 33 d 3H J 14 \| 22 21 dddd 1H J 29 61 91 132 \| 20 19 ddt 1H J 59 90 132 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=NC(=O)[C@@H]1C[C@H]1c1cncs1	ir: 5 5 6 2 2 15 15 8 6 8 8 7 5 4 11 10 9 15 8 6 3 2 3 4 5 3 4 2 2 3 3 2 4 5 3 3 3 4 3 6 7 5 3 2 2 3 3 3 6 10 6 1 7 6 3 3 9 24 10 3 5 5 5 2 2 4 3 2 4 5 3 4 3 18 2 4 7 4 2 1 2 2 1 1 4 10 27 26 19 8 2 4 3 2 1 1 5 3 1 1 3 3 1 1 3 2 1 5 4 2 1 2 3 1 0 2 3 3 3 5 13 15 3 2 3 2 4 4 3 2 1 2 3 2 2 5 11 20 34 3 3 2 2 5 4 2 6 12 19 24 14 100 77 4 4 5 2 2 2 3 2 1 2 3 2 1 2 5 5 3 3 6 3 1 2 3 1 1 2 2 1 1 2 2 1 1 2 4 1 2 5 8 3 8 7 16 3 1 3 3 2 2 3 3 1 2 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 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 2 1 1 2 2 1 2 2 2 1 2 4 10 11 9 5 9 13 8 6 4 10 39 18 20 5 3 3 2 2 19 25 4 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 88 87 d 1H J 18 \| 74 74 m 1H \| 28 27 ddd 1H J 53 62 101 \| 26 24 m 2H \| 24 23 ddd 1H J 52 62 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc2n1C1CCCC1	ir: 3 4 2 3 4 3 3 3 3 2 3 2 4 3 4 4 11 9 5 5 6 5 5 17 9 5 12 23 11 2 4 4 3 2 1 5 6 2 13 100 18 12 5 4 4 4 4 2 3 3 3 3 3 4 7 21 11 8 4 3 4 5 3 2 3 3 2 1 3 3 9 7 10 4 3 3 3 2 1 2 2 2 3 4 3 3 4 2 5 3 2 3 2 3 6 5 8 18 6 5 4 4 2 10 42 3 3 2 3 13 12 9 6 4 3 3 4 3 3 3 3 4 2 8 6 21 8 6 6 3 3 4 6 2 1 7 34 9 7 8 6 25 4 4 4 3 4 8 10 0 46 11 6 48 26 9 3 2 2 4 75 4 2 1 4 3 2 2 2 2 2 2 2 2 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 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 4 3 3 2 4 4 4 11 9 14 5 22 8 4 4 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 9 25 37 31 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 92 92 s 1H \| 89 88 s 1H \| 75 75 m 2H \| 69 68 m 2H \| 49 49 m 1H \| 35 35 m 4H \| 30 30 m 4H \| 25 24 d 5H J 158 \| 21 20 m 2H \| 21 21 s 3H \| 19 18 m 5H \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cccc(OC2CCCCC2)c1	ir: 13 4 2 8 6 8 5 4 6 5 5 3 3 3 1 3 3 6 14 5 2 3 6 2 2 3 1 2 2 4 3 12 3 1 1 1 1 1 2 1 1 0 1 2 1 0 6 13 24 3 2 4 4 5 2 6 3 3 2 2 3 1 4 5 3 2 6 11 8 2 2 2 3 13 15 9 5 4 4 4 2 1 1 1 1 0 1 1 1 0 1 1 0 0 1 2 3 1 1 1 1 1 2 1 1 2 3 4 8 5 4 13 9 6 15 7 9 33 6 5 8 8 2 7 11 9 6 3 4 5 2 1 1 1 1 1 2 1 1 3 4 5 3 5 7 6 100 8 1 3 2 1 1 3 2 6 5 3 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 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 1 0 1 1 1 1 2 3 2 4 5 2 2 4 5 4 2 3 14 20 6 25 62 28 6 3 2 2 2 2 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 77 ddd 1H J 9 20 79 \| 74 74 t 1H J 20 \| 74 73 t 1H J 82 \| 70 69 ddd 1H J 10 18 84 \| 45 44 p 1H J 48 \| 44 43 q 2H J 64 \| 20 19 dddd 2H J 49 63 83 131 \| 18 14 m 9H \| 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.
Cc1cccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1OC1CCCCO1	ir: 2 5 3 2 1 2 1 10 3 2 2 2 2 4 1 1 1 1 6 0 1 2 5 1 3 4 2 0 2 1 1 0 5 1 6 3 1 1 7 2 2 30 28 1 3 2 9 28 11 2 21 2 5 48 16 13 21 63 9 5 1 4 8 1 2 3 11 4 5 7 6 10 11 14 8 3 3 2 13 5 9 6 5 4 2 2 4 8 7 1 1 3 6 7 6 14 7 4 1 1 1 1 1 2 10 5 12 5 4 2 1 6 2 4 1 6 2 4 6 3 5 4 12 4 10 5 3 1 1 3 3 1 1 2 4 19 42 5 9 59 6 2 2 1 3 10 6 17 27 39 10 10 9 6 6 22 32 14 2 1 1 1 1 1 1 6 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 0 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 3 3 6 3 5 3 2 3 5 2 5 18 9 62 99 100 18 13 4 3 4 2 4 3 1 1 1 1 1 1 1 0 0 0 1 0 0 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 d 1H J 79 \| 80 80 dd 1H J 11 76 \| 80 79 ddd 1H J 7 13 74 \| 78 77 td 1H J 12 76 \| 77 77 m 1H \| 76 75 ddd 2H J 14 77 169 \| 74 73 m 2H \| 73 72 t 1H J 77 \| 72 72 m 1H \| 70 69 m 2H \| 54 54 t 1H J 36 \| 53 52 d 2H J 10 \| 39 39 ddd 1H J 38 60 111 \| 37 36 ddd 1H J 36 60 111 \| 22 22 d 3H J 7 \| 21 20 dddd 1H J 36 60 85 143 \| 19 15 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)Nc1cc(CO)c(-c2cncc(C(=O)NN)c2)cn1	ir: 1 1 2 4 3 2 3 2 1 1 2 1 1 1 1 1 1 1 5 3 7 4 1 4 5 3 10 17 2 5 3 1 2 2 3 2 2 4 10 2 94 74 18 11 7 5 3 5 5 1 1 1 1 7 6 3 3 4 2 2 3 16 7 13 30 7 14 46 11 8 10 5 2 1 1 2 3 9 5 2 5 3 1 3 5 7 21 19 12 14 8 7 8 2 1 2 1 1 2 2 1 5 1 1 1 1 2 2 1 1 1 4 11 4 7 5 2 1 2 2 4 4 8 5 6 3 2 5 4 2 1 3 11 27 37 16 6 1 1 1 1 0 1 2 3 4 9 5 8 43 42 30 55 11 5 2 4 7 27 2 19 15 5 7 2 2 1 1 1 1 0 0 1 1 1 0 0 2 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 2 3 4 6 5 10 14 11 8 2 2 2 11 16 8 2 3 3 4 8 15 38 13 4 3 11 10 25 100 69 73 23 15 5 5 1 1 2 1 1 1 1 2 1 1 1 1 1 1 3 6 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 t 1H J 42 \| 91 90 t 1H J 16 \| 90 89 t 1H J 16 \| 86 85 m 2H \| 84 84 s 1H \| 79 79 t 1H J 9 \| 64 64 t 1H J 38 \| 48 47 dd 2H J 9 57 \| 46 46 d 2H J 40 \| 35 35 t 1H J 57 \| 33 32 qd 2H J 37 61 \| 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.
COc1cc(C)c(C(=O)c2c(C)ccc(Br)c2C)c(OC)c1OC	ir: 4 3 4 3 3 5 4 3 3 2 3 3 5 2 2 4 5 3 2 5 4 4 3 6 4 3 2 2 2 2 2 2 2 3 3 5 6 3 2 3 4 6 13 8 17 7 2 4 4 3 2 6 9 7 8 5 10 4 8 3 2 2 4 3 5 23 13 5 8 10 13 16 21 3 9 4 2 2 2 3 2 2 3 6 2 2 5 6 2 1 2 2 2 2 2 3 7 31 4 2 2 2 24 7 1 9 4 3 2 3 32 4 1 2 4 5 2 11 17 18 6 4 3 2 2 4 4 4 14 4 4 4 3 4 8 3 4 4 12 6 4 22 8 4 2 2 2 9 2 5 10 9 4 7 6 2 2 2 8 13 16 100 5 0 2 3 2 0 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 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 11 4 3 1 3 3 3 2 4 6 5 4 15 19 19 18 41 41 28 16 6 5 3 3 2 2 2 2 2 2 2 2 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 76 75 d 1H J 75 \| 72 71 dq 1H J 10 75 \| 66 66 s 1H \| 39 39 s 3H \| 39 39 s 3H \| 39 38 s 3H \| 25 25 s 3H \| 25 24 d 3H J 11 \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCNC(=O)c1ccccc1C(=O)NCCCCCCC	ir: 1 2 2 2 0 0 1 0 1 1 1 1 1 2 1 1 1 1 2 1 0 1 2 4 7 11 9 4 6 12 4 5 5 16 42 33 13 16 25 22 8 16 29 57 11 6 7 7 4 1 1 2 2 1 1 0 2 1 1 1 1 1 1 1 1 1 0 2 1 1 0 0 3 3 1 3 1 1 2 0 2 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 2 2 2 4 3 7 7 8 9 23 8 12 2 6 4 3 10 5 8 4 7 4 3 5 4 1 3 2 3 1 3 4 12 10 26 8 46 7 3 1 4 7 8 100 46 36 25 16 25 11 2 22 2 1 1 9 2 1 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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 4 4 2 4 1 1 2 3 2 3 11 14 2 4 68 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 2 6 9 25 37 73 24 35 10 2 2 2 1 2 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 dd 2H J 36 61 \| 76 75 m 4H \| 33 33 q 4H J 53 \| 16 15 tt 4H J 54 75 \| 14 13 dd 1H J 12 72 \| 14 13 m 8H \| 13 12 d 6H J 30 \| 13 12 m 1H \| 9 8 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cccc(-c3ccc(C)cn3)c2)nc1	ir: 0 5 6 2 30 2 4 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 0 5 6 6 1 2 2 4 55 11 1 2 3 2 2 1 1 0 1 1 11 95 2 3 2 5 18 21 18 4 3 3 1 1 1 0 1 2 2 7 10 2 6 49 4 1 1 1 1 7 2 2 1 1 1 1 1 1 1 0 1 1 1 9 1 1 1 1 1 1 1 1 1 1 1 18 5 1 0 1 0 0 0 1 1 0 0 1 0 1 2 2 3 2 4 4 5 14 10 12 5 5 4 2 1 0 0 2 6 100 6 8 66 4 4 10 22 17 9 4 2 5 2 57 10 3 9 2 1 1 5 3 17 6 4 8 2 4 5 8 3 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 1 2 2 2 2 6 7 24 50 25 16 15 5 2 1 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 m 2H \| 81 80 t 1H J 21 \| 78 78 dd 2H J 21 85 \| 77 76 d 2H J 80 \| 76 76 dd 1H J 81 90 \| 76 75 m 2H \| 23 23 d 6H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCN(C)C/C=C/COc1ccc2c(-c3ccc(Br)cc3)nccc2c1	ir: 3 3 12 4 4 8 16 4 8 6 7 8 4 7 5 6 8 6 4 6 3 11 10 2 4 3 7 6 29 26 15 32 8 5 6 3 3 4 1 1 2 3 2 3 3 5 3 2 7 80 10 5 6 18 19 46 40 36 16 9 6 15 8 9 13 23 45 46 35 19 47 27 31 16 19 88 21 25 21 10 10 24 11 12 11 9 21 57 16 15 8 35 10 6 5 3 7 6 4 12 11 15 6 3 5 2 2 5 4 4 9 10 9 28 21 7 11 5 11 14 24 18 18 30 20 9 13 8 3 5 10 19 22 9 13 22 56 30 19 8 14 7 7 10 18 11 6 9 42 4 1 16 3 8 7 16 6 23 2 3 4 9 2 3 1 0 5 27 10 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 4 4 2 4 4 8 21 8 9 18 25 46 48 62 100 28 21 36 21 13 12 6 7 6 2 0 2 3 1 1 2 2 1 0 2 2 1 0 2 1 0 0 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 86 85 d 1H J 45 \| 79 79 d 1H J 88 \| 78 77 m 2H \| 76 76 m 3H \| 75 75 t 1H J 23 \| 69 69 dd 1H J 24 88 \| 58 57 ddt 1H J 57 113 168 \| 57 56 m 2H \| 53 52 ddt 1H J 12 24 167 \| 50 50 m 1H \| 46 45 m 2H \| 33 32 dq 2H J 10 36 \| 32 31 dt 2H J 15 57 \| 24 24 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=C(OC)C(=O)C(CCCCCC[C@H]2CC[C@@H](OC(C)=O)CC2)=C(C)C1=O	ir: 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 1 1 1 2 5 4 4 2 1 1 0 0 0 0 1 1 2 2 3 2 1 8 31 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 2 11 3 1 2 1 3 2 1 1 2 1 2 5 1 0 0 0 1 1 0 1 6 2 1 1 1 1 0 1 1 2 3 1 2 1 2 2 4 2 2 3 3 4 6 1 2 3 4 8 9 3 3 10 9 7 6 1 2 3 2 2 2 2 1 1 1 1 1 0 0 0 1 1 1 2 9 3 100 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 0 0 0 0 1 1 1 1 1 1 2 2 2 2 1 3 2 2 1 3 6 8 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 48 47 m 1H \| 39 39 s 5H \| 31 30 tq 2H J 10 82 \| 22 21 t 3H J 10 \| 20 20 s 2H \| 18 17 dddd 2H J 33 58 90 136 \| 17 16 m 1H \| 17 16 s 1H \| 17 16 m 2H \| 16 16 m 1H \| 16 15 m 1H \| 16 14 m 1H \| 15 14 m 2H \| 14 12 m 8H \| 12 11 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12	ir: 2 4 2 2 3 3 1 2 4 2 3 3 6 4 8 4 7 4 5 8 11 2 2 12 10 13 2 2 4 5 2 2 1 1 1 3 2 2 1 1 1 2 2 1 2 2 2 2 4 5 30 18 7 3 2 2 5 2 2 2 2 2 7 3 2 2 10 11 4 2 4 3 9 52 21 4 3 11 13 10 4 15 3 1 2 2 5 4 3 4 8 9 2 12 4 3 5 3 1 9 6 2 4 8 9 4 4 5 12 12 11 11 35 9 8 4 2 8 4 6 2 6 4 6 7 2 4 5 4 5 4 6 4 7 7 6 2 3 2 3 3 2 5 11 100 19 8 4 2 3 2 1 5 29 2 2 5 4 2 2 2 0 2 7 71 6 2 0 1 3 2 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 2 1 2 2 3 2 1 3 3 2 4 9 19 4 6 5 7 10 9 22 51 40 42 26 8 6 7 8 19 2 7 4 2 1 2 2 1 2 1 2 1 1 2 2 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 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; 1HNMR: 72 72 ddq 1H J 9 20 101 \| 61 61 dd 1H J 13 103 \| 60 60 d 1H J 13 \| 51 50 dq 2H J 11 88 \| 28 27 ddt 1H J 9 31 128 \| 25 24 m 2H \| 21 20 dddd 1H J 18 67 86 149 \| 19 14 m 10H \| 12 11 d 3H J 10 \| 9 9 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccc(O)nc1	ir: 2 1 1 2 3 3 4 12 7 2 3 2 2 3 4 9 6 3 2 2 1 5 7 1 1 2 4 2 1 3 3 6 14 13 5 5 5 5 2 2 2 1 1 1 1 2 2 2 2 5 3 3 4 17 12 2 2 3 1 2 1 2 2 2 1 3 3 4 7 7 4 27 11 8 5 2 2 2 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 2 2 2 2 2 2 1 1 1 3 5 7 3 1 1 1 2 3 2 1 1 1 2 2 1 1 2 2 1 2 3 4 1 1 1 1 1 1 1 1 2 1 14 6 3 2 2 1 1 18 31 23 11 2 3 2 7 19 8 6 4 1 1 2 1 1 2 6 6 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 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 3 3 2 3 9 5 1 2 2 2 3 2 3 9 100 9 0 2 3 1 1 1 2 1 1 5 9 6 28 12 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 92 s 1H \| 85 84 d 1H J 19 \| 78 77 dd 1H J 18 82 \| 66 66 d 1H J 82 \| 22 21 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O	ir: 1 2 2 2 2 1 2 1 3 4 7 5 7 8 4 11 8 5 1 9 21 6 1 2 4 2 1 1 3 2 2 1 1 1 1 1 1 1 1 1 3 5 1 15 5 1 4 3 2 2 2 3 2 2 2 1 1 1 1 1 1 1 1 4 3 2 1 2 1 2 3 5 2 10 7 4 2 4 3 5 3 14 4 4 3 7 8 16 27 40 14 7 6 4 1 2 2 3 2 2 3 14 8 2 3 3 3 2 1 3 3 2 37 4 5 1 1 1 2 1 1 1 1 4 5 3 4 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 1 1 2 2 1 9 5 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 3 3 3 2 3 2 3 1 3 4 3 2 3 5 5 100 14 3 3 3 2 1 2 3 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1; 1HNMR: 83 83 s 1H \| 81 81 s 1H \| 63 63 m 1H \| 53 52 d 1H J 46 \| 50 49 t 1H J 59 \| 44 44 ddddd 1H J 8 21 41 58 78 \| 39 39 m 1H \| 38 38 dddd 1H J 18 34 60 121 \| 36 35 dddd 1H J 18 33 59 119 \| 28 27 ddd 1H J 33 49 134 \| 25 24 dddd 1H J 18 31 51 134	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]cnc2cc(O[C@H]3CCOC3)c(O[C@H]3CCOC3)cc12	ir: 3 2 3 6 4 2 2 3 1 3 1 2 1 2 8 5 2 1 1 1 2 2 2 3 4 3 2 1 1 1 2 2 1 4 8 14 12 6 2 1 1 1 1 4 8 17 6 2 4 8 40 24 6 5 6 1 1 4 2 1 1 1 1 1 1 2 2 7 27 24 4 4 6 8 5 3 3 3 3 1 1 0 1 1 1 1 1 1 1 1 1 2 3 2 4 2 2 1 5 12 5 1 1 3 2 2 2 2 4 4 2 1 3 1 1 1 2 2 2 3 4 2 3 4 4 2 6 5 4 1 1 0 1 1 2 52 1 1 1 1 1 1 3 1 1 1 2 10 10 1 3 1 3 10 17 6 3 1 1 11 100 4 3 2 5 1 1 0 0 1 0 0 0 1 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 3 2 1 4 2 2 3 3 11 3 2 7 31 2 1 1 1 1 1 0 1 1 1 1 0 0 1 1 0 1 1 2 0 0 16 87 18 12 1 2 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 77 76 d 1H J 71 \| 75 75 s 1H \| 70 70 s 1H \| 53 52 dddd 2H J 14 28 35 53 \| 41 40 m 2H \| 39 38 m 4H \| 38 38 ddd 2H J 30 49 108 \| 24 23 ddt 2H J 33 49 139 \| 22 21 dtd 2H J 30 52 137	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(=O)c2c(nc(Oc3cccc(C(F)(F)F)c3)n2Cc2ccc(Cl)cc2)n(C)c1=O	ir: 2 4 4 3 3 3 6 5 3 2 3 4 1 7 4 3 3 2 1 1 2 1 1 2 1 2 1 1 1 2 3 24 3 2 2 1 1 1 1 4 1 1 1 2 2 6 28 36 14 11 4 3 5 4 18 29 4 8 4 0 1 2 1 0 3 7 7 24 17 7 2 5 5 9 3 1 1 2 3 4 3 3 2 2 1 2 2 1 2 2 1 2 3 11 12 12 5 5 9 20 6 1 3 3 5 2 8 14 6 4 6 10 4 7 19 10 7 21 17 11 6 7 22 21 7 11 3 5 31 6 6 3 2 1 0 2 2 0 1 4 28 10 2 7 4 2 18 35 2 4 3 24 10 16 5 6 1 1 1 1 1 3 8 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 10 4 2 1 3 3 2 3 9 8 5 4 10 4 20 34 15 100 81 61 6 13 22 6 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 74 74 m 3H \| 73 72 m 3H \| 71 71 m 2H \| 55 54 t 2H J 9 \| 37 37 s 3H \| 37 37 d 1H J 79 \| 12 12 t 3H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1P1(=O)c2ccccc2CN1c1ccccc1	ir: 5 7 11 3 1 4 6 3 1 7 9 9 4 20 12 5 1 5 7 3 1 4 5 2 1 4 6 2 2 5 7 4 4 22 9 1 8 15 26 3 9 54 100 7 3 6 5 1 3 6 3 0 3 6 3 0 4 6 3 3 5 13 3 1 4 12 16 3 6 11 9 0 30 33 3 5 6 6 2 2 5 6 3 5 6 19 45 12 13 9 6 5 7 14 9 5 12 9 4 6 9 6 2 3 5 4 1 4 8 3 0 3 7 5 4 4 6 6 2 4 6 3 1 4 5 3 2 5 7 5 1 5 5 3 2 15 16 41 16 20 5 8 11 8 10 6 4 6 11 10 2 5 5 8 6 6 4 2 4 6 4 3 6 5 3 1 3 5 3 0 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 3 5 2 1 4 4 2 1 4 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 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 5 4 2 2 5 3 1 3 5 3 2 3 6 5 3 9 12 23 83 25 8 6 4 5 5 3 1 4 4 3 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 4; 1HNMR: 80 79 dd 1H J 14 74 \| 79 78 dd 1H J 12 73 \| 76 75 td 1H J 18 72 \| 75 74 m 2H \| 74 74 m 3H \| 73 73 m 2H \| 73 72 m 2H \| 70 69 tt 1H J 16 77 \| 52 52 d 2H J 10 \| 25 24 d 3H J 6	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cccc(C(=O)O)c1Br	ir: 6 4 0 4 8 4 1 6 7 4 1 17 21 15 9 30 29 51 21 59 53 100 62 46 21 28 24 10 9 3 3 6 6 3 3 9 11 5 6 7 5 1 5 10 6 2 11 22 17 1 5 10 8 2 4 7 4 1 4 8 4 1 4 7 3 0 4 7 3 2 6 9 5 16 23 51 39 79 80 36 24 9 13 11 10 4 11 12 6 7 9 17 19 11 21 8 4 3 7 5 1 3 6 4 1 4 7 4 2 4 7 6 2 12 16 18 14 20 15 7 2 4 8 4 2 5 6 3 2 5 6 3 2 10 10 7 4 11 17 15 12 18 9 9 21 37 26 8 6 7 5 3 3 6 5 2 4 6 6 2 3 6 4 1 3 6 4 1 3 6 3 1 3 6 3 1 5 6 3 1 4 6 3 1 4 5 3 1 4 5 2 1 4 5 2 2 5 5 3 4 5 6 2 3 5 5 2 2 5 4 1 3 5 4 1 3 5 4 1 3 6 4 1 3 6 3 1 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 1 4 5 2 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 2 5 4 2 3 5 4 2 3 6 4 2 3 6 5 3 4 7 5 3 4 10 11 5 20 21 17 8 6 6 5 4 8 6 60 33 93 19 5 2 5 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 78 78 dd 1H J 13 80 \| 73 73 dq 1H J 9 78 \| 73 72 t 1H J 79 \| 28 27 qd 2H J 9 73 \| 13 12 t 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)Cc2cc(C(=O)NS(=O)(=O)C3CC3)ccc2NC1c1cc(F)cc(N2CCCC2)c1	ir: 10 9 10 24 17 13 7 9 35 6 5 3 3 3 3 4 2 3 7 7 9 5 5 3 1 4 9 5 6 4 3 4 5 5 4 6 5 7 14 55 20 14 13 5 4 6 6 1 5 9 4 4 6 7 15 15 6 1 6 8 3 3 1 3 8 7 31 18 24 16 5 2 10 7 5 2 1 2 2 1 1 2 1 4 9 11 14 25 8 10 3 11 5 10 10 9 21 6 8 4 3 2 6 3 2 3 5 6 4 7 2 3 3 5 0 3 2 4 2 3 5 5 3 3 5 3 2 2 2 3 4 21 11 16 37 62 32 20 7 35 35 3 1 4 6 9 2 27 4 2 3 8 11 100 5 5 4 1 1 3 6 4 3 26 4 2 2 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 2 2 3 2 2 1 5 6 5 14 8 13 79 30 9 6 3 3 2 2 2 1 1 1 1 1 2 3 2 2 2 3 4 4 15 74 59 60 14 6 7 7 3 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 1 1; 1HNMR: 78 78 dt 1H J 9 20 \| 78 77 dd 1H J 20 88 \| 75 74 s 1H \| 71 70 d 1H J 86 \| 69 68 m 1H \| 65 64 m 2H \| 45 44 m 1H \| 44 43 d 1H J 77 \| 36 35 m 4H \| 29 28 m 2H \| 28 27 dd 1H J 7 147 \| 22 21 p 4H J 19 \| 17 16 m 2H \| 15 14 m 2H \| 11 10 d 3H J 15 \| 10 10 d 3H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCOc2c(cccc2C2CCCC2)C1	ir: 9 11 18 12 13 13 14 10 13 15 72 96 44 26 15 18 13 8 9 13 10 6 5 7 10 12 8 7 8 5 5 7 8 10 6 8 7 10 14 35 23 10 11 12 19 0 28 55 31 14 9 12 6 6 7 21 9 6 8 12 8 12 12 7 8 9 11 15 8 6 5 6 6 6 6 7 11 14 7 5 5 6 6 6 6 6 6 13 8 5 7 10 9 16 14 11 7 7 14 17 27 12 11 15 11 14 8 14 12 26 19 37 31 15 21 18 20 20 18 33 48 53 15 58 16 9 22 30 18 27 20 19 20 15 22 23 26 37 62 50 27 35 19 11 7 6 6 8 12 10 19 100 6 10 7 3 5 16 16 5 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 5 4 5 6 5 4 5 6 5 5 5 6 5 4 5 6 5 4 5 6 5 5 5 6 5 4 5 6 5 5 5 6 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 6 5 5 6 5 5 5 6 5 5 6 7 6 6 7 11 7 7 11 20 15 13 21 12 12 9 22 51 35 29 35 70 69 19 9 10 8 6 7 7 5 5 6 6 5 4 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 4 5 5 5 4 5 5 5 4 5 6 5 4 5 6 5 4 5 5 5 4 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 4 5 5 5 4 5 5 5 4; 1HNMR: 72 71 ddt 2H J 11 70 80 \| 71 71 m 1H \| 44 44 d 2H J 8 \| 43 42 t 2H J 63 \| 37 36 t 2H J 63 \| 31 30 m 1H \| 20 19 m 2H \| 18 16 m 6H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(COc2cc(OCc3ccccc3)c3ccncc3c2)cc1	ir: 1 2 2 2 4 4 8 10 3 6 2 2 1 1 2 2 2 2 3 3 10 4 2 5 5 8 10 6 14 10 15 17 7 3 4 2 4 21 19 47 34 31 10 2 3 6 3 1 1 3 2 2 7 3 3 3 8 3 2 1 2 3 3 4 8 13 22 8 10 44 17 15 12 11 5 12 5 5 8 1 3 2 1 1 2 1 2 7 8 15 1 1 2 2 1 2 2 10 6 2 3 4 2 2 12 5 4 1 3 1 1 3 10 1 1 2 2 2 2 2 7 2 2 2 3 2 7 6 6 2 2 4 8 5 4 15 7 4 3 3 3 1 18 32 5 11 12 10 14 20 40 7 4 3 3 1 3 9 4 3 23 6 2 2 2 1 1 3 1 0 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 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 0 1 1 1 0 1 1 1 1 1 2 2 1 1 3 2 0 2 5 3 4 13 11 33 55 100 14 11 5 4 5 1 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 t 1H J 15 \| 85 85 dd 1H J 14 47 \| 80 80 d 1H J 46 \| 74 74 dq 4H J 11 65 \| 74 73 m 4H \| 73 73 m 2H \| 72 71 t 1H J 20 \| 66 65 d 1H J 22 \| 52 51 d 1H J 19 \| 52 51 s 1H \| 50 49 d 2H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N[C@@H](Cc1c[nH]c2cc(F)c(F)cc12)C(=O)O	ir: 3 3 5 5 4 12 3 5 2 6 23 7 4 9 10 6 7 9 11 11 33 46 48 36 14 10 28 41 20 5 6 7 22 85 16 12 10 5 5 4 5 3 4 4 4 3 2 4 3 2 4 4 2 2 2 3 3 1 3 4 6 7 5 6 6 12 13 7 16 8 13 5 6 4 7 6 6 10 15 36 10 8 4 8 5 7 11 7 3 2 4 3 2 3 4 7 5 7 5 3 4 3 3 5 3 9 13 6 13 9 19 6 5 4 4 5 7 9 9 7 19 17 12 9 21 12 5 4 4 4 3 3 4 3 3 3 3 5 6 7 18 5 45 45 15 46 33 6 6 4 3 5 4 4 38 0 2 4 3 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 2 3 4 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 2 3 2 2 5 3 3 3 3 5 3 2 4 2 8 3 6 6 6 7 11 17 13 3 12 19 4 5 6 10 38 100 17 5 3 3 3 4 4 4 8 6 10 7 15 10 12 53 39 6 4 4 3 3 3 3 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 3 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; 1HNMR: 95 94 d 1H J 68 \| 81 80 s 1H \| 76 76 d 1H J 88 \| 74 73 dd 1H J 45 120 \| 72 71 m 2H \| 45 44 dt 1H J 64 88 \| 34 33 ddd 1H J 7 65 146 \| 32 31 m 1H \| 19 19 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1nc(-c2ccc(C3CNCCOC3)cc2)no1	ir: 5 6 3 3 3 3 5 2 3 4 3 3 3 3 3 6 9 3 4 5 4 3 3 4 3 4 4 3 7 3 3 3 3 3 4 3 3 5 4 7 6 6 4 23 14 2 13 7 23 9 7 5 8 10 10 7 15 3 3 5 3 3 7 5 4 4 3 5 5 6 11 5 6 4 13 4 5 4 5 4 3 7 13 2 4 3 3 3 9 3 8 3 4 4 3 3 4 5 5 4 3 3 3 3 3 3 5 4 6 6 10 14 6 7 6 10 16 27 6 4 4 3 4 3 6 10 9 10 9 4 3 6 5 4 6 5 3 3 3 3 2 3 3 2 2 3 3 3 6 7 4 3 4 3 3 3 2 3 2 2 2 2 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 5 3 2 3 4 3 2 3 5 7 0 12 65 10 9 5 3 4 4 4 3 3 3 3 3 3 3 3 3 3 5 37 100 10 4 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2; 1HNMR: 92 92 s 1H \| 80 80 m 2H \| 73 72 m 2H \| 40 39 m 1H \| 37 37 m 1H \| 37 36 m 2H \| 33 32 m 1H \| 31 30 m 1H \| 30 29 m 2H \| 29 28 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC(C#N)(CCC(F)(F)F)CC(Cl)C(F)(F)F	ir: 7 10 2 3 2 4 3 2 2 1 1 8 2 7 1 1 1 2 8 18 4 1 1 6 3 7 1 1 1 1 1 2 4 1 3 1 2 2 4 2 6 4 6 3 3 2 1 1 1 1 1 1 1 2 6 13 7 4 1 1 1 1 1 1 1 1 1 1 1 2 1 4 1 1 1 1 1 1 1 1 1 1 2 2 6 3 12 4 4 9 9 22 18 21 8 5 8 8 11 9 14 100 7 9 30 29 7 22 9 19 7 9 8 23 26 11 14 9 19 26 38 19 23 13 16 5 7 3 3 2 2 3 1 2 3 4 3 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 3 23 3 2 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 2 4 9 18 10 6 7 6 8 16 8 27 14 7 3 3 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 44 43 qt 1H J 60 81 \| 27 26 ddq 1H J 24 59 109 \| 26 24 qt 2H J 76 142 \| 24 23 ddq 1H J 24 60 110 \| 22 20 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ncc2ccc3c(C(N)=O)nn(C(C)(C)C)c3c2n1	ir: 0 1 1 1 1 1 1 2 2 3 4 10 4 5 2 3 2 4 4 2 1 1 1 6 26 18 4 10 16 7 3 1 1 1 1 1 1 6 2 1 10 21 3 3 1 1 1 1 1 2 1 2 6 9 51 6 1 0 4 8 3 4 2 2 2 2 2 2 1 1 1 1 1 2 1 1 1 1 1 10 2 1 1 1 1 1 0 1 1 1 1 1 10 1 1 2 2 1 1 1 1 3 3 1 1 4 11 2 1 1 1 3 15 2 4 2 3 2 4 3 4 2 3 5 25 14 1 1 1 1 1 1 1 2 2 1 12 1 3 100 3 0 1 1 2 83 2 4 4 4 1 3 20 9 1 2 4 21 3 2 16 18 3 1 2 0 4 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 6 8 7 10 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 10 27 2 1 1 1 1 1 1 0 0 2 1 5 77 6 1 1 1 0 1 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 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 91 91 d 1H J 19 \| 84 84 d 1H J 101 \| 82 82 dd 1H J 18 101 \| 72 71 s 2H \| 26 26 s 3H \| 17 17 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1CN1C(=O)c2ccccc2C1=O	ir: 8 4 4 5 5 4 5 5 5 5 5 7 4 5 4 4 4 4 7 4 5 4 4 4 4 7 5 5 5 5 5 12 6 6 36 0 8 51 12 9 8 10 16 6 5 4 4 7 5 4 9 5 5 4 5 10 64 20 5 5 7 5 5 6 4 5 5 4 8 10 15 6 4 4 5 6 7 4 5 5 6 5 5 10 7 4 5 8 5 4 5 4 4 5 8 5 7 5 4 4 4 4 5 5 5 5 6 6 5 5 5 6 5 5 4 5 11 19 9 8 6 13 8 9 5 7 10 8 6 5 5 6 21 10 23 7 7 7 13 5 5 5 10 9 6 5 8 6 10 21 17 6 6 12 100 11 19 5 5 6 7 5 5 4 5 7 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 4 5 5 5 6 5 5 5 6 6 5 7 9 9 16 84 27 12 7 9 7 5 5 5 5 5 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 83 83 d 1H J 27 \| 79 78 m 3H \| 77 77 dd 2H J 31 50 \| 76 76 dd 1H J 25 83 \| 75 74 m 4H \| 74 73 m 1H \| 57 57 s 2H \| 29 28 d 2H J 69 \| 21 20 dp 1H J 71 144 \| 10 9 d 6H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc([C@@H]2CC[C@@H](OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)CC2)cc1	ir: 3 2 2 2 3 5 6 2 5 1 3 5 10 4 10 24 33 16 6 27 23 41 73 45 10 4 5 6 3 3 3 2 5 7 3 3 1 8 3 10 8 5 3 2 1 1 6 16 3 6 4 0 6 12 32 26 14 14 4 5 5 1 2 6 4 1 1 3 5 6 10 5 4 8 8 30 9 7 15 41 8 3 5 2 1 2 2 11 5 5 4 7 3 4 2 2 1 6 7 4 2 2 1 1 2 3 6 3 13 3 1 2 3 11 7 88 15 9 11 16 25 5 5 10 16 10 9 1 2 6 4 5 2 2 2 2 6 7 36 19 15 6 71 49 22 9 11 14 9 8 11 32 14 5 4 1 25 3 1 1 1 4 7 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 7 2 3 1 1 2 4 14 8 6 24 17 45 100 22 10 10 9 6 4 1 0 11 6 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H \| 76 75 m 2H \| 74 74 dd 1H J 75 86 \| 73 72 m 2H \| 51 50 d 1H J 167 \| 50 49 d 1H J 165 \| 39 39 tt 1H J 29 58 \| 29 28 p 1H J 65 \| 27 26 m 1H \| 20 18 m 4H \| 18 15 m 5H \| 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.
CN(C)Cc1cc2c(o1)CN(C(=O)CCCc1ccccc1)CC2	ir: 7 4 2 4 6 2 7 5 5 18 8 4 4 3 2 6 3 11 8 8 4 6 13 16 13 11 4 4 5 6 8 8 10 9 5 4 2 4 7 22 47 9 6 10 6 10 22 9 12 13 11 5 3 5 4 3 1 2 1 2 3 2 6 14 30 5 4 20 5 40 2 2 3 6 14 5 3 11 7 2 2 2 2 2 4 3 24 22 10 14 11 19 11 10 10 4 4 6 27 5 2 2 1 4 4 5 4 14 11 11 4 10 5 8 8 6 6 6 11 7 17 16 13 9 6 4 4 2 1 4 4 5 2 9 10 14 20 13 21 14 10 8 11 86 20 23 10 21 44 3 2 27 3 5 4 18 2 1 1 1 1 1 0 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 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 3 2 3 8 6 6 3 3 2 4 6 26 27 17 51 100 29 53 24 5 2 6 3 1 1 5 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 72 m 4H \| 72 71 m 2H \| 60 59 p 1H J 9 \| 44 44 s 2H \| 41 41 d 2H J 9 \| 38 37 t 2H J 48 \| 29 28 tdd 2H J 9 29 47 \| 28 27 s 5H \| 27 26 tt 2H J 9 84 \| 24 24 t 2H J 80 \| 19 18 p 2H J 82	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)s1	ir: 5 25 46 10 6 4 1 1 1 2 1 1 1 1 2 2 2 2 1 2 2 1 2 5 12 40 20 5 4 1 4 4 4 2 2 1 2 2 3 7 8 36 8 6 3 3 10 11 3 1 1 2 2 7 12 4 2 1 6 9 7 9 3 1 2 3 2 4 13 29 82 4 2 3 3 2 3 1 3 7 3 2 5 4 10 18 16 3 10 5 3 4 3 4 21 8 2 5 2 22 4 2 2 2 1 1 2 1 4 2 1 3 2 1 3 3 1 10 2 3 4 8 7 11 11 15 9 7 3 6 15 13 36 33 18 19 16 9 3 2 6 2 15 2 2 1 2 2 4 24 7 1 9 2 4 6 60 13 2 8 2 1 1 17 33 4 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 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 0 1 1 1 1 1 1 1 1 2 2 2 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 2 2 1 2 3 2 3 4 12 14 10 20 6 5 5 10 67 8 5 6 13 6 5 8 23 15 6 18 25 19 66 58 21 100 35 11 4 5 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 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 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 88 88 s 1H \| 79 78 d 1H J 57 \| 76 76 d 1H J 84 \| 74 74 d 1H J 57 \| 70 69 m 3H \| 42 42 td 2H J 9 59 \| 28 28 t 2H J 58	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C=C(\C)CCSc1nnnn1-c1ccccc1	ir: 5 11 16 9 24 26 23 100 94 6 5 3 0 2 2 2 2 2 9 4 0 2 1 1 0 2 1 1 1 2 3 6 22 10 5 4 4 6 15 6 10 9 34 17 2 3 1 0 1 2 1 0 2 1 1 1 1 1 4 2 2 2 2 2 11 2 2 3 2 13 3 5 12 8 4 2 7 12 19 6 3 1 2 4 3 1 1 1 1 1 1 2 3 4 6 6 11 10 3 3 1 8 1 8 10 67 24 12 6 2 2 1 3 2 0 3 7 6 19 20 54 17 16 5 4 5 1 2 1 3 4 2 21 10 13 28 13 6 3 11 3 2 2 3 5 53 100 31 8 4 1 12 6 2 2 3 5 30 18 4 3 5 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 0 1 1 1 1 1 1 1 1 1 1 3 2 3 1 2 5 7 4 5 3 3 1 3 7 8 29 52 89 77 90 34 23 7 1 2 2 1 1 2 2 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 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; 1HNMR: 77 76 m 4H \| 72 72 tt 1H J 15 70 \| 56 56 h 1H J 13 \| 37 37 s 2H \| 34 33 t 2H J 68 \| 26 26 td 2H J 13 68 \| 21 20 d 3H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@@H]1CCN(C(CF)CF)C1	ir: 3 4 8 6 2 2 1 1 1 1 2 6 5 4 1 1 1 1 0 1 1 2 2 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 1 2 2 2 3 2 2 2 3 4 2 3 4 5 7 15 22 42 57 100 69 11 23 11 16 15 12 17 4 5 2 8 14 16 29 11 4 5 9 20 14 10 9 6 6 11 9 13 3 5 3 5 8 12 6 4 1 2 1 1 1 5 4 2 2 7 3 2 4 2 2 2 2 2 2 1 2 1 2 4 9 10 13 15 16 14 22 13 13 16 12 13 13 25 28 19 8 3 1 2 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 3 3 2 3 5 2 4 5 6 1 1 0 0 1 1 1 1 1 2 2 4 2 13 14 26 38 21 9 21 9 8 19 41 47 4 2 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 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; 1HNMR: 45 44 ddd 1H J 35 47 85 \| 44 43 ddd 1H J 35 47 82 \| 43 42 ddd 1H J 35 47 84 \| 42 41 ddd 1H J 35 47 85 \| 33 32 m 1H \| 33 32 m 1H \| 31 30 ddd 1H J 53 72 123 \| 29 28 m 2H \| 27 26 dd 1H J 29 121 \| 19 18 dddd 1H J 19 50 70 139 \| 18 17 d 2H J 59 \| 17 16 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1[nH]n(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(O)c3)nc(=O)c1-2	ir: 2 4 7 10 3 6 5 3 2 4 4 2 6 7 7 6 10 5 3 5 4 2 1 1 3 3 5 4 3 2 2 3 4 13 5 2 2 8 3 1 3 5 2 1 3 11 6 42 23 12 5 1 3 2 2 3 1 3 4 3 2 2 2 2 2 3 18 31 10 5 2 1 1 2 2 2 4 7 4 9 23 13 7 3 1 1 2 9 9 2 11 22 10 7 3 2 1 2 5 4 6 2 2 3 6 4 7 3 13 13 4 3 4 4 36 16 5 5 4 8 9 12 10 5 2 3 5 8 5 8 5 4 30 2 1 2 2 2 2 4 9 9 6 3 2 2 1 1 1 3 11 3 4 17 14 33 100 1 5 14 7 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 2 2 2 1 2 2 2 2 3 2 3 4 3 3 3 8 13 13 16 56 29 11 3 3 3 4 14 65 12 3 1 1 2 1 2 1 1 1 1 1 1 1 1 3 6 11 19 8 2 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 s 1H \| 79 78 s 1H \| 75 74 s 2H \| 72 71 dd 1H J 75 85 \| 70 69 ddq 1H J 10 20 75 \| 68 68 tt 1H J 9 22 \| 67 67 ddd 1H J 12 22 86 \| 40 40 t 2H J 9 \| 25 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c2c(c(OC)c(OC)c1OC)CCC(CCn1c(=O)ccc3ccccc31)CC2	ir: 3 2 1 2 1 2 3 2 2 5 4 4 1 2 1 1 1 4 2 4 3 1 3 3 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 3 3 5 9 4 7 6 24 27 7 2 1 2 3 1 1 2 2 1 1 4 3 16 5 2 1 3 5 2 3 7 2 10 6 11 2 5 2 2 2 1 1 1 2 4 1 2 3 0 1 1 1 1 4 1 1 4 2 3 3 0 1 2 2 4 3 4 6 9 5 2 3 2 3 2 3 2 5 3 3 9 4 3 3 3 3 3 1 2 2 3 1 2 6 7 8 9 6 2 2 2 1 1 6 4 1 1 2 1 0 2 17 100 4 1 1 2 6 16 20 3 1 0 1 1 14 1 1 1 1 0 1 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 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 3 2 4 3 2 3 2 2 2 9 10 7 7 16 15 19 13 2 2 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1H \| 78 78 dd 1H J 6 92 \| 75 75 m 1H \| 75 74 td 1H J 15 74 \| 74 73 dd 1H J 15 74 \| 66 66 d 1H J 93 \| 40 39 d 1H J 165 \| 40 40 s 7H \| 37 37 s 5H \| 29 28 dt 2H J 88 157 \| 28 27 ddd 2H J 85 92 157 \| 19 18 dtd 2H J 69 88 130 \| 18 15 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2ncc(F)c(CCN3C[C@H](CN)[C@H](O)C3)c2n1	ir: 3 8 5 5 2 6 9 9 7 10 15 13 13 10 30 22 27 28 26 19 21 22 39 38 31 15 46 16 8 8 4 7 13 8 7 3 2 5 10 6 8 7 5 3 5 9 3 3 4 13 40 52 66 57 10 12 42 61 52 24 7 9 2 8 13 11 3 7 9 15 9 10 26 94 100 83 37 9 8 34 12 11 11 40 40 17 9 15 19 18 48 87 63 32 71 24 18 6 4 6 11 10 7 13 12 11 5 4 3 5 2 4 6 4 2 4 23 28 4 9 11 10 3 13 22 6 6 10 10 5 21 68 12 22 86 84 34 24 10 25 23 3 3 3 5 48 44 2 4 2 9 5 77 4 2 3 2 1 6 3 2 0 14 2 2 1 2 3 2 1 2 2 1 0 1 2 1 0 2 3 1 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 0 2 4 2 1 2 3 2 1 2 3 2 0 2 3 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 3 2 1 2 4 4 3 3 4 3 3 3 5 10 5 12 15 8 35 25 19 8 15 58 53 55 28 11 2 4 3 9 19 48 35 6 6 7 12 8 31 70 6 15 5 0 0 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 3 1 0 2 3 1 0 1 2 1 0 1 2 1 1 2 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 83 82 d 1H J 141 \| 82 81 d 1H J 81 \| 70 70 d 1H J 81 \| 41 40 ddp 1H J 18 38 57 \| 40 39 s 2H \| 34 34 td 2H J 47 69 \| 31 28 m 6H \| 27 26 dtd 1H J 50 64 114 \| 26 26 m 2H \| 23 22 t 2H J 62 \| 20 19 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](O)C2CCOCC2)C1	ir: 1 1 1 1 2 2 1 1 1 2 7 1 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 1 2 1 0 0 1 1 4 1 1 2 1 1 1 1 0 1 3 3 5 4 5 3 4 2 1 1 1 0 1 1 0 0 1 1 2 2 1 1 1 2 2 4 3 3 5 3 1 4 2 2 4 2 2 2 3 2 1 1 1 1 1 2 1 1 9 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 3 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 3 3 1 3 2 2 5 3 2 4 7 7 7 2 3 2 1 4 1 7 7 28 100 23 8 3 2 3 2 1 1 1 3 1 1 2 1 1 2 2 2 1 1 2 2 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 38 37 m 3H \| 37 36 m 1H \| 36 34 dddd 4H J 38 61 110 120 \| 34 34 m 1H \| 28 28 d 1H J 51 \| 20 19 m 2H \| 19 17 m 5H \| 16 15 dddd 2H J 30 57 64 135 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(N=C=S)c2ccc(Cl)cn2)c1	ir: 4 3 2 4 9 6 2 3 4 3 3 3 4 4 3 2 5 5 2 3 2 1 1 7 3 2 5 4 8 3 6 17 18 11 12 13 5 11 12 25 16 7 6 3 2 3 3 4 2 3 2 3 9 13 26 6 3 1 2 3 1 0 2 3 8 37 28 13 15 25 17 4 1 1 2 2 1 1 3 4 2 2 1 1 1 1 2 2 3 5 7 4 2 3 2 5 4 9 19 18 2 4 3 7 5 3 3 3 9 13 10 2 2 2 3 19 11 5 28 3 9 5 2 1 1 1 2 2 10 24 20 4 5 5 7 46 6 22 1 2 3 0 3 21 7 9 3 1 9 11 2 6 3 1 2 1 0 3 3 36 17 4 3 3 2 0 1 3 1 41 5 0 1 1 1 1 1 1 1 1 0 0 0 0 1 1 0 0 0 1 1 1 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 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 2 1 1 2 2 2 4 5 5 5 23 100 58 17 8 2 3 4 1 0 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 83 83 d 1H J 19 \| 74 74 d 1H J 77 \| 74 73 m 3H \| 73 72 m 5H \| 69 69 dt 1H J 22 121 \| 36 36 dt 1H J 10 145 \| 34 33 dt 1H J 8 143	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC[C@@H]1CC[C@@H](Nc2c(C(=O)C3CC3)cnc3ccc(Br)cc23)CC1	ir: 3 2 2 3 2 4 13 4 3 1 1 2 3 3 3 2 2 1 3 4 2 2 3 4 5 4 2 2 2 2 2 2 4 2 4 3 5 5 13 27 15 28 10 18 20 31 37 24 10 10 18 9 11 7 12 21 65 7 9 15 16 7 3 5 1 0 2 5 2 5 9 3 3 6 7 3 3 4 8 7 6 2 3 2 3 6 2 3 3 2 2 5 5 8 4 5 2 2 4 15 3 3 3 5 4 5 9 6 18 6 9 13 46 36 33 13 10 6 7 23 4 5 8 8 6 9 13 8 16 29 5 6 4 5 5 7 7 12 27 8 7 23 9 3 3 14 3 5 16 100 8 6 39 16 5 4 3 3 3 1 10 20 4 2 2 1 19 0 1 2 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 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 2 2 1 2 5 2 2 2 4 3 6 4 10 9 10 19 22 23 6 8 7 3 2 5 3 2 1 2 3 2 2 3 5 6 11 70 63 23 5 10 33 14 23 19 16 10 5 2 3 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 92 s 1H \| 83 82 d 1H J 24 \| 79 79 d 1H J 84 \| 77 77 dd 1H J 25 83 \| 72 72 d 1H J 88 \| 34 33 dtt 1H J 33 62 91 \| 29 28 p 1H J 60 \| 27 26 dt 1H J 55 125 \| 25 24 m 4H \| 23 22 h 1H J 54 \| 19 18 m 2H \| 17 15 m 4H \| 15 14 m 3H \| 12 11 m 2H \| 9 9 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC(=N)NC(=O)OC(C)(C)C	ir: 5 3 4 2 1 1 1 1 2 1 1 2 3 3 1 1 1 1 1 1 1 2 2 2 3 3 10 6 12 8 16 15 14 9 12 16 7 5 5 9 12 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 2 3 9 10 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 5 10 8 3 2 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 2 2 2 7 7 5 1 1 1 1 1 1 1 1 1 1 1 1 1 6 35 100 44 23 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 2 2 4 10 2 1 1 1 1 1 1 1 0 1 1 1 0 1 4 2 1 12 19 76 4 0 0 2 2 1 3 12 8 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 s 1H \| 81 81 s 1H \| 25 25 s 3H \| 14 14 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccnc(-n2nccc2OCc2ccc(C3CC3)cc2Cl)c1	ir: 3 2 9 14 5 4 3 10 11 14 2 7 7 5 0 5 4 3 2 4 4 2 3 3 4 2 3 2 2 1 2 3 6 18 23 8 4 16 17 15 8 5 5 3 2 0 4 9 9 2 4 6 37 24 18 8 5 2 5 6 2 3 6 10 13 8 25 68 36 11 3 3 3 10 6 2 2 1 1 1 2 6 6 7 8 12 11 5 4 3 18 14 12 7 11 16 7 5 4 3 2 9 17 5 7 24 29 1 1 1 2 2 1 3 7 3 0 1 3 4 1 2 8 46 17 5 4 3 3 19 10 3 1 2 3 4 0 2 2 3 10 10 7 1 5 7 11 74 40 25 28 8 18 33 12 41 13 5 10 41 21 3 5 3 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 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 1 2 1 1 2 3 2 0 3 4 4 4 11 5 7 0 54 100 66 23 21 13 10 6 4 2 2 3 2 2 1 1 1 1 0 1 1 1 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 85 85 d 1H J 38 \| 84 83 d 1H J 21 \| 76 75 dd 1H J 22 37 \| 75 75 d 1H J 37 \| 74 74 dt 1H J 9 82 \| 72 72 dd 1H J 7 22 \| 71 71 m 1H \| 61 61 d 1H J 37 \| 53 53 d 2H J 10 \| 27 26 m 1H \| 14 13 m 2H \| 11 10 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC2(CCCOC2)Oc2ccc(C#Cc3ccccc3)cc21	ir: 2 4 7 4 1 6 7 2 5 5 4 2 2 7 4 3 10 8 2 1 1 3 8 1 15 2 2 2 14 5 5 11 4 1 2 3 10 22 20 60 35 5 7 1 11 7 4 14 79 9 4 5 5 48 1 13 40 2 1 2 3 2 2 7 1 9 5 8 14 34 7 3 2 11 3 2 2 4 11 8 1 2 3 2 3 2 2 8 4 7 2 1 2 2 3 2 1 1 1 1 4 2 4 6 3 6 4 2 1 2 8 9 23 3 3 3 7 6 5 4 7 36 10 18 8 8 6 8 9 4 6 11 2 4 9 16 17 13 2 2 1 3 21 22 3 1 15 91 6 2 7 2 21 14 14 2 1 1 1 1 1 0 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 6 7 12 3 2 4 5 4 5 11 29 32 57 100 61 55 2 3 3 3 1 0 2 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 d 1H J 21 \| 76 76 m 2H \| 76 75 dd 1H J 22 73 \| 74 73 m 3H \| 71 71 d 1H J 73 \| 41 40 d 1H J 121 \| 38 38 d 1H J 119 \| 37 36 m 2H \| 32 31 d 1H J 176 \| 30 30 d 1H J 176 \| 22 21 ddd 1H J 58 84 142 \| 20 19 ddd 1H J 57 84 141 \| 19 18 m 1H \| 17 16 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)(C)Cc1cn(S(=O)(=O)N(C)C)c(C(C)(O)Cc2ccc(Br)cc2)n1	ir: 0 12 9 6 16 18 18 21 11 16 6 3 4 7 11 12 5 10 2 3 4 4 4 1 3 2 1 1 2 3 4 3 3 2 2 6 5 9 9 13 2 5 4 9 16 4 2 2 4 5 4 1 3 11 23 25 4 2 2 2 3 6 22 12 13 10 14 15 26 15 8 6 5 5 1 1 2 3 2 4 6 12 8 5 8 100 56 13 11 26 48 9 19 23 13 9 6 6 3 3 5 2 4 7 6 5 4 2 3 1 1 1 2 2 0 3 8 19 22 9 11 12 3 6 6 4 0 2 6 5 11 9 3 3 2 2 1 1 1 1 2 1 1 2 4 2 52 12 4 2 1 1 3 1 1 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 4 7 3 2 3 2 3 3 2 3 4 1 16 15 21 31 13 20 13 7 6 4 2 2 7 12 5 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 74 m 2H \| 73 72 dt 2H J 9 77 \| 72 72 d 1H J 9 \| 44 44 s 1H \| 34 33 dt 1H J 8 145 \| 32 31 dt 1H J 9 147 \| 28 28 s 5H \| 27 27 d 2H J 9 \| 18 17 s 3H \| 14 13 q 2H J 79 \| 10 10 d 6H J 9 \| 9 8 t 3H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@@H]1[C@@H]2OC(c3ccccc3)OC[C@H]2OC[C@@H]1O	ir: 4 4 0 8 30 17 8 3 3 1 6 4 1 2 1 1 2 2 1 1 2 2 1 4 3 1 1 1 1 1 2 3 1 1 1 1 1 1 1 3 7 3 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 5 2 3 4 1 1 1 7 2 3 2 1 2 2 2 2 4 3 0 1 12 7 19 11 1 1 1 1 1 1 1 1 0 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 5 2 1 1 1 1 1 4 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 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 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 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 2 3 3 2 3 12 9 4 1 0 1 3 42 100 19 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 74 m 2H \| 74 73 m 3H \| 56 55 d 1H J 8 \| 42 41 m 1H \| 41 40 td 1H J 22 54 \| 40 38 m 6H \| 37 36 dd 1H J 27 112 \| 32 32 d 1H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(nc1C1OCCO1)NC(=O)CC2	ir: 0 1 2 1 2 1 3 3 4 2 2 1 0 1 1 2 3 2 4 4 2 2 3 2 1 2 1 5 3 5 6 19 10 4 4 3 8 7 8 11 16 10 3 0 3 3 3 3 1 2 1 0 1 3 7 1 1 2 3 11 20 4 2 0 3 4 1 1 2 1 1 1 1 3 8 3 3 7 5 1 2 3 1 1 2 2 1 1 2 1 1 1 2 2 2 2 1 1 7 1 2 1 0 2 3 2 2 2 3 2 0 1 2 1 1 3 3 2 0 3 3 2 6 3 2 1 0 1 2 2 1 2 3 1 8 8 3 2 0 1 1 0 0 1 1 0 6 3 3 1 17 10 5 20 100 36 10 4 3 1 2 5 2 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 3 2 2 1 2 2 2 3 7 3 4 5 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 8 20 18 10 8 13 12 3 3 2 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1; 1HNMR: 94 94 s 1H \| 76 76 d 1H J 9 \| 62 62 s 1H \| 41 40 m 2H \| 40 39 m 2H \| 39 39 s 3H \| 31 30 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.
COc1c(C(C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(C)c1-c1ccnc(C#N)c1	ir: 3 4 4 2 3 2 3 2 2 1 1 2 2 2 4 4 3 3 3 2 3 5 4 4 6 2 1 3 3 4 3 2 4 2 3 3 2 6 15 19 10 9 9 3 4 4 4 3 4 3 2 3 2 1 3 1 2 4 2 3 2 3 2 4 2 4 6 12 13 6 5 2 3 3 3 4 2 3 1 2 2 2 3 1 1 1 6 2 1 1 3 2 1 1 1 2 1 2 7 16 2 1 1 1 1 1 2 3 2 2 2 4 3 2 2 1 1 2 4 2 2 3 2 1 1 1 3 2 2 3 2 2 2 2 2 4 2 4 2 2 5 5 3 7 5 15 13 9 2 2 4 16 4 1 44 0 3 100 8 3 26 5 2 1 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 1 1 1 1 2 1 1 2 1 2 2 3 5 4 3 10 9 2 2 1 2 1 1 2 1 2 1 2 2 2 2 1 3 12 19 8 4 1 3 1 1 1 1 2 3 23 61 8 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 86 86 d 1H J 45 \| 83 83 s 1H \| 77 77 dd 1H J 21 45 \| 76 76 d 1H J 22 \| 72 72 d 1H J 8 \| 67 67 s 2H \| 59 58 m 1H \| 40 39 s 3H \| 27 26 s 3H \| 24 24 s 3H \| 18 18 d 4H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H]1CC[C@@H](Cn2cnc3c(=O)[nH]c(=O)n(C)c32)CC1	ir: 11 10 8 11 17 15 21 26 13 10 15 8 9 8 11 6 9 5 5 8 8 3 2 4 8 3 2 6 6 4 5 12 14 11 9 10 7 5 7 9 11 1 8 15 19 9 5 8 4 1 4 6 6 1 8 7 5 4 4 8 5 0 6 7 4 5 5 7 6 0 6 9 6 3 7 8 4 4 7 5 2 8 14 9 4 4 6 5 1 2 5 8 3 8 12 9 6 5 7 9 4 7 11 11 19 16 21 8 14 20 27 14 14 18 20 10 6 14 19 12 37 15 10 30 17 17 16 6 6 7 12 5 3 7 5 3 3 5 8 5 2 6 5 2 2 5 5 1 1 7 6 1 3 29 66 42 100 24 15 7 4 4 5 6 21 45 18 10 9 20 14 11 4 6 3 0 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 5 3 1 2 4 3 1 2 5 3 0 3 5 2 0 3 5 3 0 3 5 2 1 3 4 2 1 4 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 5 4 5 9 10 8 9 13 11 7 17 15 18 18 10 24 16 25 9 12 17 21 14 8 4 1 4 5 3 1 3 4 2 2 3 4 2 2 4 5 4 21 25 76 9 4 5 5 4 5 8 5 3 3 5 4 1 2 5 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1; 1HNMR: 77 77 d 1H J 9 \| 42 41 ddd 1H J 7 70 135 \| 40 40 ddd 1H J 8 70 136 \| 36 36 s 2H \| 19 18 pt 1H J 42 69 \| 17 16 m 2H \| 16 13 m 6H \| 13 11 m 4H \| 9 8 td 3H J 14 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON=C(C)C(C)=NN=Cc1ccccc1C(=NOC)C1=NOCCO1	ir: 9 8 7 6 5 6 7 7 7 10 6 5 7 15 17 14 13 7 8 8 4 6 6 7 8 6 9 14 7 5 3 2 2 4 8 7 3 4 4 3 12 19 17 27 18 19 6 3 4 3 5 4 2 2 2 4 5 11 9 0 9 25 6 5 5 16 11 14 13 6 10 11 11 9 4 5 3 9 5 11 7 5 3 4 4 4 3 3 5 7 7 6 5 10 8 8 7 5 9 4 4 4 20 28 6 5 6 3 4 5 7 10 25 9 6 6 7 22 4 6 5 5 6 10 10 7 6 9 5 13 11 12 19 19 46 27 27 29 4 4 6 5 3 3 3 2 3 6 24 5 3 5 5 2 5 3 2 3 4 3 8 5 3 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 2 5 5 3 4 3 3 3 4 3 4 4 6 3 14 13 40 5 11 100 32 7 6 4 3 4 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 89 88 s 1H \| 80 79 dd 1H J 22 69 \| 79 78 dd 1H J 19 67 \| 75 74 m 2H \| 45 45 m 2H \| 43 42 m 2H \| 40 40 s 3H \| 40 39 s 3H \| 25 25 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.
CCOc1oc(-c2ccccc2)nc1C(=O)O	ir: 12 21 15 9 3 12 11 6 28 12 13 21 12 5 5 11 4 13 3 2 2 2 4 4 1 2 3 3 3 5 10 9 15 6 3 4 3 2 4 2 13 17 11 2 1 2 2 1 1 1 2 2 3 2 1 0 1 1 1 1 1 2 4 2 3 1 3 7 11 6 2 3 4 9 6 4 4 4 9 19 5 52 59 2 3 2 0 1 1 1 1 0 1 1 1 0 1 1 1 0 2 1 0 2 2 1 0 1 1 1 1 2 5 3 3 3 1 6 8 4 7 16 11 22 6 3 2 3 6 2 1 2 3 1 3 49 6 1 1 2 1 1 5 7 14 21 30 8 4 5 3 3 5 2 2 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 10 5 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 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 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 2 1 2 1 1 1 1 1 0 0 1 1 0 1 1 2 1 1 2 1 1 3 2 2 1 1 3 4 8 18 20 20 53 40 5 3 7 3 1 3 100 92 10 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 79 m 2H \| 75 74 m 3H \| 43 43 q 2H J 60 \| 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.
CCOc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1	ir: 9 8 13 6 8 11 6 16 11 8 7 10 2 3 10 3 7 2 1 0 1 1 1 2 1 0 2 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 1 1 0 0 0 1 1 1 2 1 3 4 8 26 8 12 3 1 2 1 3 1 2 0 1 1 1 4 2 1 2 3 2 3 1 1 1 0 0 0 0 0 0 1 1 1 4 1 2 1 1 1 1 1 1 1 1 1 1 1 1 3 5 8 4 2 2 7 2 2 2 3 3 3 2 6 6 5 3 7 2 5 9 5 7 7 2 8 11 4 2 1 0 2 4 5 2 2 6 10 1 1 1 1 0 1 4 4 54 100 25 15 5 1 1 1 1 0 0 1 1 18 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 2 1 2 1 1 1 2 2 2 0 2 3 5 9 17 9 8 37 8 3 2 2 1 0 1 1 0 0 0 1 1 0 0 1 1 1 1 3 4 5 12 23 54 11 5 4 1 0 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 0 0; 1HNMR: 69 68 m 2H \| 67 66 m 2H \| 41 40 q 2H J 67 \| 39 38 m 2H \| 37 37 ddd 2H J 58 85 130 \| 34 33 ddd 2H J 59 86 130 \| 21 20 dddd 2H J 41 59 86 126 \| 19 18 dddd 2H J 41 59 87 128 \| 15 14 m 10H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccnc(Cl)c1	ir: 10 12 5 5 10 6 6 5 4 6 8 5 3 5 7 6 7 31 9 12 6 5 5 5 5 5 5 5 10 22 4 5 6 8 5 5 5 5 5 4 5 5 5 5 5 5 9 18 14 5 5 4 4 5 5 5 4 4 5 6 21 26 5 7 8 5 6 13 8 11 4 2 6 8 7 7 7 6 4 4 6 6 4 5 6 6 3 4 6 6 2 6 23 3 5 5 4 5 4 4 5 5 4 4 5 8 5 5 6 5 4 5 6 5 5 21 24 7 7 6 6 6 7 3 8 6 1 6 9 3 0 8 94 100 13 3 3 6 6 5 4 6 11 9 5 5 5 8 9 5 5 6 5 5 7 5 5 4 5 7 15 14 7 4 4 5 4 4 4 5 4 4 4 4 4 5 4 4 4 5 5 4 4 5 4 4 4 4 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 5 5 4 5 5 4 4 5 5 5 5 6 5 5 7 7 15 40 26 5 6 4 6 5 5 4 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5; 1HNMR: 85 84 d 1H J 47 \| 80 80 dd 1H J 21 47 \| 77 77 d 1H J 21 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(N)c(C)cn1C	ir: 4 2 1 3 3 8 12 5 3 5 6 4 13 22 28 18 19 6 6 5 6 3 2 3 3 2 0 2 3 2 2 5 4 8 21 16 5 7 4 4 5 1 4 4 3 1 2 4 7 4 1 3 2 1 2 4 2 2 1 4 4 6 5 3 2 1 2 4 3 2 2 2 5 5 4 5 2 3 2 1 5 21 10 7 4 2 2 2 1 2 2 1 1 1 1 1 1 1 1 3 3 3 2 8 9 10 3 2 0 1 2 2 0 2 4 3 1 2 3 3 0 2 3 2 1 7 5 5 1 2 4 4 4 2 2 1 1 3 29 2 1 1 1 1 1 1 1 1 1 4 10 7 26 12 24 3 2 13 84 100 10 8 2 2 1 2 2 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 2 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 2 2 5 9 3 2 3 1 1 5 11 4 3 2 2 1 1 1 2 1 0 2 2 2 27 18 3 2 1 2 2 1 2 4 8 11 97 57 13 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 68 67 d 1H J 9 \| 51 51 s 2H \| 43 43 q 2H J 64 \| 38 38 s 3H \| 20 20 d 3H J 7 \| 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.
Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1	ir: 3 6 4 5 4 5 5 2 3 3 3 2 3 3 4 4 6 6 6 5 6 2 5 4 3 4 2 3 2 4 3 2 4 2 4 1 2 2 2 6 3 1 4 5 5 14 36 20 10 16 11 11 8 4 4 3 2 3 1 2 2 3 2 2 3 3 2 2 2 2 1 2 6 9 10 4 6 5 2 1 3 5 4 6 4 8 12 34 29 5 3 5 5 3 1 1 1 1 1 1 3 6 7 2 3 8 6 2 3 1 1 3 3 2 1 1 1 1 0 1 2 3 3 5 4 4 2 2 1 2 1 2 2 3 4 3 1 1 1 3 3 1 1 3 4 3 4 6 30 100 33 6 12 63 11 2 1 2 1 8 16 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 2 2 5 5 2 1 1 5 4 8 2 2 2 11 2 3 2 2 1 2 2 1 1 5 25 33 3 1 1 2 1 2 2 1 1 7 38 50 14 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 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 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 71 \| 69 69 s 2H \| 63 62 dq 1H J 16 33 \| 60 60 d 1H J 71 \| 45 45 tt 1H J 14 26 \| 39 38 ddd 1H J 28 59 114 \| 36 35 ddd 1H J 26 58 112 \| 33 32 dt 1H J 16 126 \| 32 32 t 1H J 59 \| 30 30 dd 1H J 33 126	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)CC2C3CN(CC(=O)O)CC32)c1	ir: 12 15 13 13 7 3 4 3 3 3 3 2 5 2 4 3 5 8 5 3 4 2 2 1 2 1 1 2 3 4 10 6 5 3 7 2 5 21 41 11 20 9 7 2 5 14 33 37 4 7 5 7 31 18 4 5 2 21 11 3 5 3 8 9 8 9 9 3 18 8 3 4 4 2 2 3 5 17 45 14 3 11 8 10 34 24 22 29 11 16 49 12 13 7 3 6 14 21 39 86 82 58 7 6 0 4 3 4 2 3 2 2 3 4 3 9 7 4 24 21 29 32 19 12 15 18 20 34 7 11 12 15 2 6 4 5 6 13 12 18 12 31 21 18 42 7 8 4 3 2 1 1 3 1 4 15 6 2 1 1 2 3 3 2 1 1 1 7 6 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 0 1 2 1 2 6 8 27 20 7 5 6 4 4 5 15 16 28 24 30 88 100 92 20 6 3 0 2 10 12 3 2 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 93 93 s 1H \| 77 76 m 1H \| 76 75 d 1H J 16 \| 73 72 m 1H \| 72 71 m 3H \| 43 42 t 2H J 8 \| 37 37 s 3H \| 34 34 d 1H J 141 \| 34 33 m 3H \| 31 30 dt 2H J 10 108 \| 27 26 dt 2H J 11 108 \| 20 19 m 2H \| 19 19 ddt 1H J 33 66 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](COC1CCN(c2nc3cc(OCC4CC4)ccc3o2)CC1)NC(=O)OC(C)(C)C	ir: 4 1 2 5 5 2 1 2 3 5 8 8 10 5 3 1 1 1 1 2 2 2 2 4 2 2 2 2 6 9 10 8 3 6 6 1 2 4 1 1 1 3 4 2 1 1 1 0 1 1 1 0 3 7 3 4 2 1 1 2 1 4 1 2 2 6 5 9 4 6 2 2 4 4 2 3 1 1 1 1 1 1 1 1 1 2 1 4 2 2 2 2 1 1 2 2 2 1 2 3 1 1 1 2 4 2 1 1 2 5 4 2 2 4 11 4 2 2 3 3 4 4 7 4 4 3 0 3 10 3 2 3 1 2 3 19 14 2 1 1 3 2 9 13 100 9 3 3 4 9 9 3 1 2 2 1 1 0 1 1 1 0 3 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 2 2 4 10 4 4 12 8 5 3 2 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 2 1 7 9 3 1 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 0 0 0 0 0; 1HNMR: 75 75 d 1H J 89 \| 71 71 d 1H J 22 \| 69 68 dd 1H J 22 90 \| 54 53 d 1H J 79 \| 39 38 m 5H \| 38 37 dqt 1H J 45 63 79 \| 37 36 m 3H \| 34 33 dd 1H J 46 115 \| 21 20 dddd 2H J 39 60 88 128 \| 18 17 dddd 2H J 40 61 88 129 \| 14 14 s 7H \| 14 13 pt 1H J 45 62 \| 12 12 d 3H J 64 \| 7 6 m 2H \| 5 4 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccnc1-c1ccc(S(=O)(=O)N(C)c2ccc(NC(=O)Nc3ccccc3)cc2)s1	ir: 4 4 4 6 3 5 4 7 12 8 3 4 14 5 5 10 14 8 9 4 8 3 8 4 9 8 7 6 2 7 5 4 5 7 6 13 5 14 21 9 10 16 21 32 17 11 7 2 5 9 5 1 3 3 9 23 22 25 13 1 15 10 4 4 7 29 8 11 10 12 4 5 3 2 3 3 12 6 3 6 5 3 7 13 17 61 11 11 10 11 15 14 2 3 3 2 1 1 3 2 2 2 6 9 61 13 12 14 3 4 2 1 1 1 2 1 1 1 2 1 1 1 3 2 2 3 6 15 34 10 4 1 1 5 10 12 4 2 7 4 5 1 8 5 1 4 15 28 11 10 14 17 29 46 30 17 12 3 2 2 10 3 2 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 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 2 1 2 2 4 12 8 12 24 39 47 5 13 6 4 2 2 4 2 1 2 2 1 1 1 2 1 1 2 3 2 9 16 100 38 11 7 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 dd 1H J 21 39 \| 85 85 s 1H \| 84 84 s 1H \| 78 77 d 1H J 81 \| 77 76 m 4H \| 74 73 m 2H \| 73 72 m 3H \| 72 71 m 2H \| 70 70 tt 1H J 11 68 \| 34 34 s 2H \| 24 24 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1ccc2c(c1F)C(O)C(O)c1c-2ccc(OCC)c1F	ir: 8 3 11 9 9 19 14 25 6 5 5 3 11 6 3 2 1 3 2 2 2 1 1 1 3 2 2 3 2 5 5 2 2 2 2 1 1 2 2 2 1 2 3 1 2 4 2 6 2 1 1 2 8 9 3 1 2 3 2 0 2 1 4 1 2 2 2 1 1 2 3 2 4 7 3 4 3 3 1 1 2 2 1 2 3 3 3 11 16 31 69 12 7 3 3 2 7 3 2 1 5 4 2 2 2 2 1 1 3 1 1 2 7 4 4 3 3 1 4 4 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 5 17 5 1 1 4 1 5 1 1 2 1 1 1 1 0 6 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 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 2 1 1 1 1 1 2 1 1 2 2 2 4 4 5 5 10 4 7 2 8 13 2 0 100 67 26 3 0 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 77 d 1H J 94 \| 76 76 d 1H J 94 \| 71 71 ddt 1H J 9 50 93 \| 70 69 dd 1H J 49 94 \| 52 51 m 2H \| 45 44 m 1H \| 42 41 q 2H J 63 \| 41 40 m 1H \| 27 27 m 2H \| 17 16 qt 2H J 61 74 \| 15 14 t 3H J 62 \| 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(=O)Nc1cc(-n2cc(-c3nnc[nH]3)c(-c3ccccc3Cl)n2)c(C)cn1	ir: 2 5 10 9 8 5 2 3 3 8 3 5 3 4 6 3 6 7 18 6 18 4 14 8 3 6 4 5 4 2 16 12 4 1 1 3 2 2 2 5 6 19 14 19 3 7 13 10 5 5 2 2 2 1 7 2 2 2 14 3 2 2 1 1 2 2 6 6 7 11 8 11 5 5 3 1 1 3 1 3 2 1 9 20 6 28 2 2 14 7 2 2 2 1 11 6 2 23 3 4 4 18 1 14 10 5 5 3 13 31 3 7 6 2 5 8 6 7 5 7 9 5 30 21 4 10 23 7 3 5 3 6 14 20 2 11 10 22 5 2 18 4 3 0 3 4 8 15 21 11 20 24 7 7 9 4 1 0 1 2 2 2 4 2 1 0 1 2 64 1 1 0 1 1 1 0 9 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 2 4 3 4 2 2 2 3 2 1 4 4 6 2 13 35 39 14 30 90 25 100 14 8 8 4 3 2 1 1 1 1 1 1 1 1 3 2 3 4 4 10 12 13 13 16 50 13 5 6 9 2 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 90 s 1H \| 85 84 d 1H J 42 \| 83 83 d 1H J 8 \| 81 81 s 1H \| 77 77 s 1H \| 77 77 m 1H \| 75 75 m 2H \| 74 73 ddd 1H J 13 71 84 \| 24 24 d 3H J 7 \| 22 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCn2c(cc3ccccc32)C1=O	ir: 4 9 6 4 4 2 0 2 4 2 0 3 4 3 1 5 7 1 1 3 4 1 1 3 3 1 1 3 3 2 1 4 7 10 2 3 3 9 11 12 6 17 100 31 6 0 2 4 2 0 2 4 2 0 2 4 2 0 3 5 2 0 3 4 2 1 3 5 4 3 4 7 8 2 4 5 3 1 3 3 1 1 3 3 2 1 3 3 2 3 5 3 2 1 3 6 13 2 4 3 1 2 5 5 18 23 6 3 1 4 7 10 7 4 7 5 0 5 5 3 2 3 7 7 10 15 18 19 9 13 7 2 2 6 15 2 2 5 9 6 2 3 6 9 3 4 3 1 2 12 20 4 29 27 11 2 2 7 2 0 2 6 3 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 3 1 2 4 3 3 3 8 8 8 11 41 22 25 20 5 3 2 4 4 4 2 3 3 2 1 2 3 2 1 3 3 1 1 3 3 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 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 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 78 77 m 1H \| 75 75 m 1H \| 73 72 td 1H J 11 66 \| 72 72 m 2H \| 44 43 dd 2H J 25 32 \| 37 37 dd 2H J 25 32 \| 31 31 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)c1cc2n(c1)CCC2C#N	ir: 4 3 1 3 4 3 3 3 8 13 5 5 5 5 11 9 8 4 98 8 10 6 5 3 3 4 5 8 4 16 4 5 3 14 3 5 4 3 4 5 5 2 3 4 4 2 4 8 5 2 3 4 3 3 4 5 4 4 5 16 23 4 11 18 60 29 48 37 18 9 15 5 10 28 29 15 5 7 4 4 3 3 4 4 2 2 5 5 4 14 52 20 39 35 4 6 8 4 4 4 2 4 6 3 4 4 6 17 71 19 9 12 23 6 3 4 4 6 23 7 18 6 5 14 3 17 5 15 4 3 3 4 6 38 5 3 3 3 4 4 2 3 3 2 2 3 3 3 3 3 3 5 5 4 6 13 10 5 3 2 3 4 3 2 3 4 3 2 3 3 3 2 4 5 4 2 4 6 2 21 33 0 4 6 3 3 3 4 3 3 3 2 4 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 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 4 3 3 4 3 3 4 3 3 3 4 9 7 3 5 7 8 5 8 9 8 8 17 31 100 8 6 23 36 8 29 43 16 12 4 5 4 3 3 3 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 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 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; 1HNMR: 73 72 dt 1H J 9 17 \| 68 67 m 1H \| 41 40 m 2H \| 40 39 dddd 1H J 9 20 40 123 \| 28 27 s 3H \| 24 23 dtd 1H J 20 38 119 \| 22 21 dtd 1H J 20 38 121	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)CNCCc1ccc(Cl)cc1	ir: 4 5 2 4 4 3 4 6 4 5 3 9 17 3 2 4 4 1 0 2 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 3 2 6 5 8 7 3 7 2 3 9 5 22 5 1 1 1 1 1 1 2 5 4 12 3 1 4 1 2 3 1 4 3 2 1 2 2 0 1 2 3 3 4 25 18 21 4 2 1 1 3 3 2 1 1 1 1 0 1 2 2 2 3 6 15 18 6 4 2 3 24 8 4 2 2 1 2 2 2 2 2 2 3 2 3 1 1 1 1 1 1 2 4 7 2 1 0 0 1 1 0 0 5 100 8 1 2 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 2 6 9 4 16 2 13 2 2 2 2 1 12 17 4 1 1 1 1 1 1 2 2 15 45 11 55 7 2 1 0 0 1 1 0 0 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 73 m 2H \| 72 71 dt 2H J 9 83 \| 39 39 tt 1H J 44 62 \| 38 37 qdt 1H J 42 51 64 \| 29 28 m 3H \| 27 27 ddt 2H J 8 54 63 \| 27 26 ddd 1H J 42 63 128 \| 25 24 d 1H J 51 \| 12 11 d 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCCc2c1cnn2-c1ccc(F)cc1	ir: 3 4 3 4 7 16 11 6 5 6 9 6 5 3 5 9 7 4 4 8 9 41 8 5 3 5 6 9 14 12 2 12 4 3 2 3 2 3 2 2 2 3 8 3 2 2 3 3 3 5 6 7 10 7 28 62 17 15 8 0 4 6 3 3 3 8 3 3 2 13 5 1 2 3 2 8 2 2 2 2 4 5 2 2 2 6 8 5 8 22 6 4 5 4 2 2 4 4 81 55 5 5 1 2 4 3 1 3 3 5 7 9 8 7 10 9 6 7 7 10 15 19 17 17 8 11 14 10 15 84 7 4 3 5 1 2 4 3 3 3 4 1 2 4 4 10 19 24 40 15 5 10 11 2 3 3 2 11 2 2 2 1 1 2 2 1 2 2 2 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 2 4 6 9 3 8 6 4 3 3 2 4 19 31 7 23 100 23 24 9 3 3 10 3 1 2 3 2 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 80 79 s 1H \| 75 75 m 2H \| 72 72 m 2H \| 52 52 s 2H \| 42 41 dt 1H J 49 124 \| 40 39 dt 1H J 49 124 \| 30 30 m 2H \| 30 29 m 2H \| 27 26 m 2H \| 21 20 tt 2H J 48 69 \| 19 18 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCCCCCC(=O)CCCCCCC1	ir: 9 4 0 6 9 4 12 5 7 4 2 5 11 5 1 10 10 12 8 7 6 4 4 17 14 6 3 6 6 2 2 5 5 2 2 6 7 4 4 9 11 5 3 9 8 4 7 8 8 11 4 9 6 2 5 11 5 1 4 8 4 0 7 8 4 2 8 9 4 2 5 6 3 1 4 6 2 1 5 5 2 1 5 6 1 2 6 13 3 2 5 5 1 3 7 6 2 3 8 6 1 3 7 5 4 5 10 8 4 28 10 10 7 17 15 10 11 19 20 13 14 11 26 8 5 5 17 7 15 9 9 5 3 24 15 15 7 9 11 5 36 76 55 23 7 8 6 3 3 6 5 1 3 6 4 1 3 6 4 1 3 6 4 0 3 6 4 0 3 6 3 0 3 6 3 0 4 6 3 0 4 6 3 1 4 6 2 1 4 5 2 1 4 5 2 2 5 5 2 2 5 5 2 2 5 4 1 2 5 4 1 2 5 4 1 3 6 4 1 3 6 4 1 3 6 3 1 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 1 4 5 2 1 4 5 2 2 4 5 2 2 5 5 2 2 5 5 3 3 5 4 2 3 5 5 2 4 7 8 10 12 15 13 6 9 12 8 3 9 18 100 13 7 8 4 1 4 7 3 1 4 6 3 1 4 5 3 1 4 5 2 1 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1; 1HNMR: 25 24 t 8H J 83 \| 19 18 ddd 8H J 75 84 158 \| 15 13 m 12H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1	ir: 1 1 2 1 2 1 2 1 0 1 2 1 0 1 1 1 3 1 1 1 1 1 2 2 5 1 3 0 1 1 1 0 0 1 1 1 0 1 1 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 2 2 4 5 1 3 3 1 0 1 2 1 1 1 1 1 0 1 2 1 0 2 1 1 1 1 1 1 1 1 1 2 2 3 8 40 2 4 4 2 2 4 9 6 2 3 1 0 2 3 4 1 2 2 1 0 1 1 1 1 2 1 1 1 1 2 1 0 1 3 2 0 1 1 1 0 1 1 2 0 1 1 1 0 1 1 0 0 2 8 1 9 1 1 1 1 5 4 2 1 1 1 0 1 1 1 8 2 1 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 1 1 4 3 2 2 4 17 2 3 3 5 9 100 16 6 3 2 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 d 1H J 88 \| 73 73 d 1H J 90 \| 37 36 ddd 2H J 52 79 111 \| 35 35 dd 2H J 48 57 \| 35 34 ddd 2H J 52 79 111 \| 25 24 t 1H J 57 \| 20 19 m 2H \| 18 17 m 1H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(C(=O)O)cc(-n2cccc2)c1	ir: 4 5 3 3 2 2 2 0 1 2 1 1 1 0 0 1 0 4 1 1 2 9 100 7 3 1 1 0 2 1 1 1 3 15 1 3 3 35 24 5 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 1 11 2 0 0 1 0 0 10 1 4 34 4 0 0 0 0 1 1 1 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 8 2 10 6 1 1 1 1 0 3 0 0 4 1 4 1 1 1 1 1 0 0 0 1 1 0 0 1 1 0 0 1 2 31 29 0 3 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 2 1 6 9 4 9 9 4 2 0 0 2 26 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 t 1H J 22 \| 81 81 t 1H J 22 \| 81 81 t 1H J 22 \| 73 72 m 2H \| 62 62 t 2H J 31 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cc2nccnc2s1	ir: 1 8 5 1 0 1 3 2 3 4 5 3 2 4 1 3 1 2 1 1 5 1 1 2 4 2 2 2 3 4 14 31 12 5 2 2 2 4 9 2 7 29 16 17 3 2 1 0 1 1 1 2 2 7 2 1 1 1 0 0 1 8 2 1 2 1 1 1 3 2 2 4 3 4 1 0 0 0 0 0 0 0 1 1 11 2 1 0 1 3 0 0 1 1 1 1 1 13 7 2 1 1 0 1 1 8 1 2 2 3 1 1 2 1 4 2 16 1 2 4 3 2 0 1 1 0 1 2 6 5 14 3 1 1 0 1 1 1 4 3 2 4 22 3 3 2 7 100 13 23 64 3 18 4 6 10 41 3 16 1 1 1 1 20 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 1 1 0 1 1 2 3 10 3 7 30 12 21 8 1 1 1 1 1 0 1 0 0 1 1 1 1 1 3 1 0 13 8 15 74 59 8 11 2 5 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; 1HNMR: 86 86 d 1H J 33 \| 84 84 d 1H J 31 \| 80 80 s 1H \| 79 79 d 1H J 21 \| 74 74 dd 1H J 21 81 \| 73 72 dq 1H J 10 81 \| 71 71 s 1H \| 23 22 d 3H J 9 \| 15 14 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(CCSc2ccc(NS(C)(=O)=O)cc2)CC1	ir: 6 4 10 7 8 4 5 6 6 7 14 10 9 10 4 3 2 2 2 2 3 1 1 2 1 2 2 1 2 5 4 2 2 1 2 2 5 6 8 5 5 4 4 1 4 3 3 1 3 0 1 0 1 4 3 5 25 12 6 8 2 1 4 1 1 1 1 1 9 10 3 2 2 2 1 0 1 3 1 0 1 1 1 1 2 6 8 26 61 11 3 1 1 0 2 5 8 7 4 7 12 15 8 15 12 6 3 5 5 2 1 1 1 1 7 3 4 3 5 9 18 5 17 10 3 4 9 6 2 16 16 6 4 5 2 2 8 4 2 1 1 1 1 2 1 1 5 9 7 6 6 19 15 2 1 0 0 1 1 0 1 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 1 1 1 2 2 4 2 1 2 4 1 3 1 2 3 4 4 10 7 6 7 20 13 4 3 1 2 2 2 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 10 37 100 19 4 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 2H \| 71 71 m 2H \| 70 69 s 1H \| 37 37 ddd 2H J 58 85 122 \| 34 33 ddd 2H J 58 86 123 \| 30 29 s 2H \| 29 28 m 2H \| 20 19 ddt 2H J 56 86 124 \| 17 17 ddt 2H J 55 84 125 \| 16 15 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.
FC(F)c1cnc(Cl)cc1Cl	ir: 1 3 8 11 5 20 7 10 4 7 2 3 7 8 6 13 28 14 11 2 2 4 3 2 3 5 3 3 2 15 3 18 11 27 6 13 28 25 13 14 17 14 12 11 7 6 5 4 3 0 2 22 67 56 11 4 4 2 2 2 2 3 3 8 16 28 30 34 9 6 12 13 8 14 9 9 4 3 2 4 8 14 46 8 6 4 3 2 5 20 4 3 19 61 22 5 3 2 1 2 1 1 1 2 6 20 14 3 3 3 1 5 6 6 4 3 2 2 4 2 3 3 2 2 2 1 1 2 4 1 1 28 100 29 5 2 1 2 2 2 2 4 19 30 26 7 4 2 4 3 3 4 10 10 4 1 2 13 52 9 34 2 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2 2 2 3 1 7 16 26 12 13 18 8 8 3 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 1 1; 1HNMR: 85 85 td 1H J 7 33 \| 75 75 s 1H \| 73 73 d 1H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CN([C@@H](CO)c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	ir: 5 29 7 2 4 9 22 11 10 5 9 15 58 10 8 39 24 28 9 5 4 1 2 2 2 14 7 4 4 3 4 3 38 12 7 3 3 2 6 5 3 3 40 17 2 3 3 4 7 15 7 5 19 31 52 18 12 38 13 2 2 2 3 9 23 11 21 6 6 19 14 4 30 3 2 2 5 19 6 34 7 12 44 21 17 6 5 37 25 34 17 10 43 50 4 3 4 6 7 12 6 5 3 2 1 1 3 2 0 2 3 1 0 3 5 39 12 4 7 10 7 10 28 22 15 9 8 14 4 1 2 4 3 3 8 11 2 1 2 2 3 4 11 56 18 12 17 5 4 11 10 24 32 5 3 0 1 3 2 9 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 2 3 2 1 2 3 2 5 3 10 12 9 38 100 57 32 13 5 4 4 12 41 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 m 2H \| 77 77 m 2H \| 75 75 m 2H \| 74 72 m 8H \| 49 48 dd 1H J 59 66 \| 46 45 dt 1H J 9 132 \| 45 44 dt 1H J 10 133 \| 42 42 dt 1H J 60 103 \| 40 39 dt 1H J 60 104 \| 39 39 s 2H \| 35 35 t 1H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(C=O)=Cc1ccc2c(c1)OCO2	ir: 2 6 11 3 1 4 7 5 1 6 8 4 4 5 5 4 2 9 8 5 3 5 7 8 9 17 12 7 5 6 7 2 3 21 17 3 3 5 5 5 6 7 23 8 7 8 5 2 3 6 6 5 12 11 25 21 11 16 20 7 24 26 20 10 100 45 33 8 49 40 19 6 6 8 4 2 4 5 2 2 4 5 2 2 4 5 4 19 16 23 8 3 5 5 4 4 5 4 9 36 9 73 24 9 8 17 8 11 15 13 8 8 11 14 11 9 18 9 16 16 11 8 1 6 10 10 9 6 6 2 0 4 5 2 1 5 5 2 2 7 8 40 6 7 4 3 4 19 10 2 14 33 20 7 4 8 8 7 6 12 4 0 2 6 11 6 3 6 3 0 3 6 3 0 3 6 3 1 3 6 2 0 4 5 2 1 3 5 2 1 4 4 2 1 4 4 1 1 4 4 1 1 4 4 1 2 4 4 1 2 4 3 1 2 5 3 1 2 5 3 0 2 5 3 0 3 5 3 0 3 5 2 0 3 5 2 0 3 5 2 1 3 5 2 1 3 5 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 4 1 2 5 4 2 3 5 6 1 6 12 5 4 4 8 4 2 7 8 12 17 28 79 66 83 70 12 10 3 5 6 3 2 4 4 3 1 4 5 3 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 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 1 3 4 2 1 3 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4; 1HNMR: 96 95 q 1H J 10 \| 73 73 q 1H J 14 \| 70 70 d 1H J 18 \| 70 69 dd 1H J 18 88 \| 68 67 d 1H J 88 \| 60 60 s 2H \| 25 25 tt 2H J 12 79 \| 15 15 tt 2H J 61 77 \| 14 13 dtd 2H J 61 74 136 \| 9 9 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ir: 15 14 6 14 18 29 19 6 4 6 51 26 5 17 3 9 6 2 5 2 3 1 5 9 2 2 3 3 3 8 1 4 3 7 10 12 4 5 3 3 3 14 16 2 2 2 1 3 2 2 0 1 2 11 18 22 8 5 4 3 5 2 5 2 7 46 7 13 8 4 1 3 1 0 6 4 4 13 6 5 7 51 19 26 43 25 80 3 9 9 3 2 5 8 2 3 7 5 7 12 4 3 3 5 14 16 18 13 7 4 25 18 5 6 16 4 4 9 22 35 1 34 15 8 6 23 5 17 4 19 9 11 4 18 15 6 29 19 5 2 4 12 3 1 0 3 6 22 10 16 100 97 6 0 11 3 1 0 1 1 4 16 1 1 1 0 1 0 1 1 1 0 0 1 0 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 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 4 11 4 2 3 2 2 2 3 4 5 7 7 9 35 29 11 44 31 14 12 6 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 81 81 d 1H J 21 \| 79 78 dd 1H J 21 96 \| 72 72 d 1H J 97 \| 47 46 p 1H J 56 \| 38 37 m 5H \| 35 35 m 4H \| 32 32 s 3H \| 15 14 s 8H \| 13 13 d 7H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)CCc1ccccc1	ir: 1 1 1 1 1 1 0 1 2 2 2 5 41 6 18 13 19 12 4 6 8 9 9 19 25 21 19 100 70 40 63 15 7 4 3 1 2 2 4 4 43 36 9 18 5 4 3 2 3 1 4 2 3 1 1 1 1 1 1 2 1 1 1 1 1 2 1 3 14 10 2 2 1 1 5 14 9 7 8 1 0 2 1 1 1 1 0 2 2 7 3 3 1 1 1 1 1 18 4 3 1 2 4 2 1 1 1 1 1 1 1 1 2 2 5 3 3 1 3 1 1 2 3 7 3 1 1 1 1 1 1 2 3 2 6 32 2 2 1 1 0 2 18 24 17 6 8 2 1 1 1 7 2 2 1 5 3 28 16 14 5 1 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 1 0 0 1 1 1 1 1 1 0 0 0 1 0 0 1 0 1 0 1 2 3 2 1 1 1 2 2 2 1 3 12 7 4 9 82 21 11 1 0 1 7 1 1 1 0 0 0 0 0 1 2 6 14 2 1 1 1 0 1 0 1 1 2 4 45 40 3 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 3H \| 72 71 ddt 2H J 9 15 75 \| 66 65 s 2H \| 29 28 m 2H \| 26 25 t 2H J 81	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCc2[nH]c3cc(Br)ccc3c21	ir: 11 6 3 8 9 5 4 11 17 5 0 8 10 5 1 9 15 7 4 7 9 3 2 7 13 4 5 15 17 9 3 9 15 8 4 9 8 3 5 10 7 2 4 9 7 2 7 11 6 1 5 10 6 6 80 100 2 11 11 9 5 1 8 9 5 2 16 32 12 1 7 9 4 2 7 8 4 3 7 8 5 3 7 8 3 3 8 8 3 3 8 11 5 4 14 18 3 5 20 23 8 5 10 7 2 5 9 6 4 21 29 7 2 8 19 11 3 9 13 7 2 6 9 5 2 8 9 6 4 7 9 4 4 9 8 5 6 8 8 4 3 7 8 3 4 12 13 15 12 18 8 3 4 13 16 9 17 10 6 2 4 11 10 4 5 8 5 2 5 9 5 1 5 9 5 2 6 9 5 2 6 8 4 2 6 8 4 2 7 8 4 3 7 8 4 3 7 7 3 3 7 7 3 3 7 7 3 4 8 6 2 4 8 6 2 4 8 6 2 5 8 6 2 5 9 5 2 5 9 5 1 5 9 5 2 6 8 5 2 6 8 4 3 6 8 4 3 6 8 4 3 7 7 4 3 7 7 3 3 7 7 3 4 8 7 3 4 8 7 3 5 9 7 3 7 9 9 6 5 9 6 2 8 12 16 3 24 47 16 12 7 9 5 3 6 8 5 3 6 9 5 4 6 8 4 3 7 8 5 5 12 9 16 19 16 11 8 6 7 7 4 4 7 7 3 4 7 6 3 4 7 6 3 5 8 5 2 5 8 5 2 5 8 5 2 5 8 5 2 5 8 5 3 6 7 4 3 6 7 4 3 6 7 4 3 6 7 4 4 6 7 4 4 7 6 4 4 7 6 3 4 7 6 3 4 7 6 3 5 7 6 3 5 8 5 3 5 8 5 2; 1HNMR: 91 91 s 1H \| 78 78 d 1H J 85 \| 77 76 d 1H J 22 \| 75 75 dd 1H J 21 85 \| 30 29 m 2H \| 25 24 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.
Nc1c2c(nc3c(F)cccc13)CN(C1CC1)C2=O	ir: 0 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 2 3 3 2 3 2 5 3 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 14 10 3 3 26 36 2 2 0 0 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 0 3 1 1 1 1 1 0 0 3 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 3 1 1 1 1 1 0 0 1 0 0 1 1 1 0 0 0 0 1 0 1 3 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 1 0 2 5 1 1 3 2 0 1 1 6 10 12 7 5 1 1 1 8 3 13 2 1 0 24 12 1 1 6 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 2 2 1 2 2 2 6 8 2 2 1 1 1 1 1 1 1 0 0 1 1 0 0 2 17 8 0 1 1 0 0 1 1 0 0 9 100 22 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 7 84 \| 75 74 td 1H J 51 85 \| 74 73 ddd 1H J 7 87 101 \| 70 70 s 2H \| 47 47 s 2H \| 40 39 p 1H J 57 \| 13 12 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.
CN(C)CCNS(=O)(=O)Cc1cccc(N)c1	ir: 2 5 1 4 3 1 3 3 1 1 1 1 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 2 1 1 3 1 1 1 2 1 5 5 3 1 1 2 3 2 2 1 1 1 1 1 8 1 1 2 4 2 1 4 3 1 4 11 31 6 3 2 1 3 2 2 1 6 1 2 8 7 7 3 6 9 3 1 1 1 1 0 2 3 7 0 2 4 7 18 9 5 1 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 0 0 0 1 3 5 1 1 1 0 0 1 1 0 0 1 4 12 7 4 10 13 3 2 2 2 20 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 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 1 2 1 1 1 1 0 1 2 8 2 3 7 4 1 1 1 1 0 1 1 0 0 0 1 0 0 1 2 1 14 19 6 3 100 3 2 2 1 1 0 1 31 32 5 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 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 t 1H J 79 \| 71 71 ddq 1H J 9 20 81 \| 67 67 tt 1H J 9 22 \| 66 66 ddd 1H J 13 22 79 \| 50 50 t 1H J 60 \| 44 44 d 2H J 9 \| 33 33 s 2H \| 31 30 td 2H J 58 66 \| 25 25 t 2H J 66 \| 21 21 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)C(Br)Cc2ccccc2)cc1	ir: 1 3 2 1 0 1 1 1 1 1 4 6 3 2 2 1 2 1 3 2 1 4 7 3 2 2 4 3 3 18 20 4 3 3 4 3 4 10 7 12 10 9 7 2 2 2 1 1 1 3 2 2 4 7 5 19 9 4 3 2 2 3 1 1 1 2 3 1 6 5 2 1 1 3 2 2 1 3 8 2 1 1 1 1 1 1 1 3 3 18 3 1 1 2 1 1 2 2 1 2 3 1 1 1 1 1 1 1 2 1 1 1 1 2 2 8 4 2 5 2 3 4 3 3 3 7 3 2 3 2 4 2 3 2 4 5 2 1 1 4 15 15 12 13 7 1 3 3 9 14 18 7 7 2 2 2 1 0 1 1 1 0 2 9 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 2 3 2 4 4 11 18 100 64 11 7 4 3 2 1 1 2 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 79 m 2H \| 73 72 m 5H \| 70 69 m 2H \| 54 53 t 1H J 78 \| 38 38 s 2H \| 34 33 ddt 1H J 9 78 146 \| 31 31 ddt 1H J 8 77 146	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@](CO)(C[C@@H](Cc1ccc(-c2cc(Cl)ccc2Cl)cc1)NC(=O)c1c[nH]nn1)C(=O)O	ir: 3 1 1 2 2 1 2 1 2 2 2 0 4 6 4 6 2 1 2 2 7 5 23 17 12 12 3 4 3 3 3 4 3 4 4 1 3 1 2 9 7 26 30 21 14 2 4 4 2 2 1 1 2 24 12 1 21 4 4 2 3 1 2 2 1 1 2 4 9 3 1 5 1 1 1 3 4 4 9 5 12 13 16 4 4 4 4 8 12 5 6 2 8 11 5 16 5 2 2 1 1 1 1 1 0 1 0 1 1 3 3 1 1 2 2 16 4 2 5 3 4 2 5 3 10 4 4 1 1 3 5 8 4 4 2 8 1 3 9 2 1 1 2 1 31 32 36 25 14 9 5 41 11 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 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 1 2 2 1 1 1 1 2 2 3 4 7 21 25 21 7 4 8 6 6 8 26 100 12 3 3 0 0 0 3 2 1 1 2 3 2 14 27 6 14 12 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 d 1H J 18 \| 79 78 d 1H J 93 \| 76 75 m 3H \| 75 74 d 1H J 26 \| 74 74 dd 1H J 26 71 \| 72 71 dp 2H J 9 80 \| 44 43 dp 1H J 65 93 \| 42 41 t 1H J 60 \| 40 39 dd 1H J 60 112 \| 37 37 dd 1H J 60 112 \| 30 29 ddt 1H J 8 65 138 \| 28 27 ddt 1H J 9 65 138 \| 22 21 dd 1H J 68 139 \| 19 19 dd 1H J 67 140 \| 13 12 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(-c2ccc(OC)c(F)c2)nn(Cc2ccc(Cl)cc2)c1=O	ir: 11 4 8 8 10 4 10 15 14 5 3 5 2 5 2 2 3 11 10 6 2 6 5 4 5 38 26 6 4 2 4 3 2 3 4 7 9 6 3 2 2 1 1 2 1 2 3 2 2 15 24 49 12 12 23 41 10 8 3 5 4 3 8 5 5 10 4 6 13 9 2 2 1 2 8 12 5 4 11 5 2 1 2 2 1 2 2 2 2 2 2 2 1 22 11 6 1 1 3 6 2 2 2 2 0 12 5 1 1 1 2 2 5 4 3 1 2 2 6 6 6 11 13 9 14 8 13 21 15 70 8 3 0 2 4 6 0 3 4 2 44 29 5 8 2 8 59 100 13 4 5 6 8 27 39 57 4 1 2 2 5 7 1 1 1 5 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 0 1 3 2 0 1 2 2 2 3 12 14 27 50 100 33 8 16 12 4 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 82 82 s 1H \| 75 74 dd 1H J 21 121 \| 74 73 m 6H \| 71 70 dd 1H J 47 89 \| 53 53 d 2H J 8 \| 39 39 s 3H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1csc(COc2ccc(-c3cccc(-c4ccccc4)c3)cc2)n1	ir: 8 3 10 8 2 3 4 4 3 9 21 27 26 10 2 2 3 2 4 17 9 4 3 2 3 5 4 2 3 2 9 8 4 2 3 2 2 3 2 3 14 92 6 3 3 5 4 48 31 1 2 2 3 0 20 13 4 9 2 1 3 4 4 2 6 6 22 6 9 5 6 4 3 8 8 7 14 9 13 4 5 15 68 12 6 15 45 21 5 6 3 2 2 1 2 2 1 2 2 1 1 1 3 1 2 1 2 2 1 2 2 1 1 1 2 2 1 4 5 3 1 4 3 3 4 5 3 2 4 9 5 2 2 3 3 56 2 2 4 5 43 8 24 39 6 4 16 33 17 2 3 20 14 4 5 2 2 3 1 1 1 2 2 2 2 2 2 24 4 3 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 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 3 1 1 3 2 2 3 5 10 2 41 100 56 14 9 6 5 5 10 4 44 15 6 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: 83 83 s 1H \| 76 76 m 2H \| 76 75 m 5H \| 75 74 m 2H \| 74 74 t 1H J 20 \| 74 73 m 1H \| 70 70 m 2H \| 55 55 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(-c2nc(COC3CCCCO3)cs2)c1	ir: 10 7 3 4 15 17 9 6 11 4 3 3 3 3 3 4 3 3 1 2 3 5 1 2 2 5 3 7 10 23 24 60 23 6 2 3 4 1 3 2 3 0 3 9 11 5 17 82 48 25 5 2 5 19 18 6 7 5 2 6 5 1 4 4 16 28 19 19 28 31 13 8 20 23 22 69 37 66 13 21 38 11 6 2 1 3 2 2 1 4 7 19 16 12 6 2 4 2 6 16 14 45 21 9 16 22 7 11 19 21 27 38 45 6 28 26 10 10 27 28 33 24 14 22 13 53 51 7 3 5 7 2 1 4 5 9 12 10 14 32 29 9 4 2 9 8 6 49 19 6 3 1 2 13 5 1 1 2 1 0 2 3 1 1 1 2 1 3 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 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 2 2 2 2 2 3 5 4 7 7 3 12 18 15 15 20 9 9 9 13 24 52 42 59 92 100 96 25 12 10 3 1 4 3 4 2 2 2 1 0 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 83 t 1H J 22 \| 80 80 ddd 1H J 12 21 77 \| 79 79 ddd 1H J 13 22 86 \| 76 75 dd 1H J 78 85 \| 72 72 d 1H J 9 \| 49 48 t 1H J 32 \| 47 47 dd 1H J 7 125 \| 46 45 dd 1H J 8 124 \| 39 39 m 1H \| 39 39 s 2H \| 36 35 m 1H \| 19 17 m 2H \| 17 15 m 3H \| 16 15 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H]1CCBr	ir: 9 12 1 13 20 25 32 22 17 16 14 9 5 8 10 3 15 2 1 4 3 4 4 3 1 0 2 3 2 3 6 3 3 3 1 1 2 7 13 11 31 10 5 3 4 1 1 1 1 1 0 1 2 0 1 1 1 1 1 1 1 4 2 2 1 4 4 2 3 3 1 1 0 1 1 2 1 1 4 3 1 0 1 1 1 3 5 1 1 5 2 2 0 0 1 1 0 4 7 5 2 4 4 4 2 3 3 6 2 5 3 18 5 6 4 4 3 7 9 10 21 11 7 8 6 11 17 11 10 8 2 6 5 5 7 7 4 4 2 1 2 4 4 14 13 5 3 2 4 7 100 95 5 5 2 2 0 1 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 0 1 2 3 2 2 4 6 4 3 3 3 4 4 6 6 23 5 16 13 24 5 3 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H \| 52 51 s 2H \| 40 40 tdd 1H J 32 60 82 \| 37 36 m 2H \| 36 35 m 6H \| 34 34 dt 1H J 49 106 \| 23 22 ddt 1H J 49 82 133 \| 21 20 ddt 1H J 49 84 135 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1cccs1)C(C)(C)C	ir: 3 4 8 5 2 4 8 8 1 4 5 9 5 7 10 3 26 12 7 4 8 7 10 5 5 8 5 8 8 21 7 7 15 9 16 9 3 8 14 10 42 13 9 4 7 13 18 23 34 21 11 19 23 25 13 6 5 6 3 13 3 11 16 11 9 5 9 6 10 12 9 14 12 8 8 44 17 7 3 4 14 15 6 10 4 6 2 4 5 3 3 8 16 10 5 3 4 4 6 1 3 1 1 5 3 4 3 4 5 7 49 77 34 41 28 14 46 33 16 34 28 19 19 12 11 9 5 5 19 30 41 38 24 22 14 9 15 4 5 6 4 4 11 9 10 100 94 96 15 5 5 5 2 4 7 4 2 1 2 2 1 0 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 1 2 2 1 2 6 5 7 2 4 1 3 2 6 4 4 7 4 12 14 31 13 20 15 8 8 30 6 7 3 2 0 3 2 2 1 1 2 2 2 3 15 46 53 67 38 33 37 20 6 2 2 3 4 2 1 2 2 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 dd 1H J 18 38 \| 70 69 m 2H \| 67 66 dp 1H J 15 86 \| 60 59 dq 1H J 43 66 \| 59 58 d 1H J 90 \| 50 49 dddd 1H J 14 25 55 111 \| 47 46 ddq 1H J 16 29 90 \| 42 41 q 2H J 71 \| 39 38 dh 1H J 16 60 \| 29 29 d 3H J 15 \| 25 24 dd 3H J 16 43 \| 20 19 dqd 1H J 17 72 146 \| 19 19 t 3H J 12 \| 15 15 d 3H J 15 \| 15 15 d 3H J 15 \| 12 12 t 3H J 71 \| 10 10 ddd 6H J 15 73 86 \| 9 9 d 9H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(CNc1nc(-c2cn3ccnc3cc2C)nc2ccccc12)c1ccccc1	ir: 2 4 7 4 4 1 1 1 0 1 2 5 8 8 4 2 2 2 2 1 2 3 2 3 2 2 1 1 1 3 9 12 12 3 2 3 1 1 2 3 10 51 11 3 2 7 9 3 1 2 2 5 6 4 2 1 2 4 7 2 2 3 4 2 1 2 2 3 5 3 2 6 4 10 24 3 2 3 3 2 5 2 1 4 2 2 7 2 2 4 3 3 2 2 13 4 11 2 2 2 1 1 0 2 4 8 2 4 4 2 2 1 2 1 3 2 2 2 2 8 4 10 6 3 2 2 2 5 9 3 1 2 5 1 2 7 17 3 2 1 3 11 10 19 7 4 5 2 2 2 4 6 2 1 1 1 1 0 2 13 4 1 1 4 19 3 2 2 2 0 1 1 1 1 3 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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 3 1 1 2 2 3 2 2 2 1 2 7 5 16 23 14 41 100 21 3 5 2 3 2 1 2 2 1 1 1 1 1 1 0 1 2 1 1 1 3 2 5 16 9 7 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 87 86 s 1H \| 83 82 m 1H \| 79 78 d 1H J 40 \| 78 77 m 2H \| 77 77 d 1H J 40 \| 75 75 ddd 1H J 18 64 97 \| 74 73 m 5H \| 73 72 q 1H J 16 \| 69 68 t 1H J 60 \| 48 47 m 1H \| 41 40 ddd 1H J 49 59 150 \| 38 38 ddd 1H J 49 60 150 \| 32 32 d 3H J 15 \| 26 25 d 3H J 16	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)c(C)c(CC(C)CC(=O)O)n2Cc1ccc(SC)cc1	ir: 5 3 7 7 12 13 5 5 3 16 16 12 10 5 2 7 8 8 12 24 49 43 100 27 33 13 10 4 2 3 2 2 1 1 5 4 2 2 1 2 1 4 2 4 3 8 8 9 4 10 7 7 7 10 46 23 6 5 6 3 3 7 4 4 10 24 6 15 6 9 2 5 2 3 8 6 45 59 48 20 15 7 4 3 4 2 7 13 5 3 5 4 20 11 3 3 5 2 3 6 7 2 3 2 3 3 5 5 4 2 1 6 8 3 5 4 3 3 11 4 8 3 9 10 6 6 6 3 3 4 4 7 15 12 5 4 3 3 2 2 4 9 15 40 28 17 15 18 4 3 2 5 13 4 11 2 1 1 1 0 0 1 1 2 1 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 2 3 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 2 2 2 4 2 3 2 3 4 4 3 8 8 11 25 10 37 42 44 15 4 5 4 2 5 4 19 28 30 4 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 dt 2H J 9 67 \| 71 71 m 2H \| 70 69 d 1H J 83 \| 69 69 d 1H J 26 \| 69 68 dd 1H J 27 82 \| 54 54 t 2H J 8 \| 39 38 s 3H \| 30 29 dd 1H J 63 150 \| 28 27 dd 1H J 63 149 \| 26 25 dd 1H J 83 158 \| 25 25 s 3H \| 25 23 m 2H \| 24 23 s 3H \| 11 11 d 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC1OCCc2cc(Br)ccc21	ir: 5 5 7 8 6 9 6 31 6 13 9 2 4 4 2 4 4 21 12 3 3 3 6 10 6 5 9 8 4 1 0 2 2 3 1 1 1 0 2 3 2 3 2 1 2 1 1 4 4 4 5 3 7 47 49 26 13 4 12 5 3 0 4 7 16 19 14 14 29 28 7 12 11 16 33 56 3 3 3 2 1 1 1 1 1 2 16 3 1 3 10 34 14 24 8 10 7 3 7 11 7 4 5 2 2 3 10 10 13 7 4 6 8 8 6 6 17 5 13 6 12 12 26 9 10 5 4 6 6 12 19 9 17 22 14 4 2 4 3 1 1 8 35 65 100 24 8 15 10 26 5 1 5 4 1 1 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 3 2 1 3 3 6 8 7 14 6 5 5 4 8 4 22 20 19 24 46 95 16 3 2 2 4 1 0 1 0 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 dd 1H J 23 87 \| 73 73 dt 1H J 9 22 \| 72 72 dd 1H J 7 86 \| 51 51 td 1H J 7 64 \| 42 41 q 2H J 66 \| 40 39 ddd 1H J 39 59 112 \| 39 38 ddd 1H J 40 60 112 \| 31 30 dd 1H J 63 169 \| 30 28 m 2H \| 28 27 dd 1H J 63 169 \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCC=NNC(=N)N	ir: 4 2 3 10 9 9 5 11 24 15 54 24 5 22 15 6 3 5 33 17 23 13 10 3 1 2 2 3 3 2 6 2 4 5 1 2 2 1 4 5 2 2 0 1 1 1 1 1 1 0 1 1 1 1 1 1 3 3 4 4 2 1 1 1 1 1 1 2 3 1 3 4 2 4 5 1 2 3 2 4 3 2 2 2 0 1 2 3 4 11 5 2 3 10 7 11 13 10 4 2 4 6 2 1 2 2 2 3 7 9 4 5 5 7 6 14 8 6 5 7 3 4 1 3 1 1 1 1 1 0 0 1 1 1 1 0 1 0 0 0 1 0 1 1 0 1 1 4 9 15 10 4 2 1 1 1 2 2 2 1 1 0 1 2 2 4 5 18 9 46 48 16 22 6 1 2 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 3 3 1 1 1 1 1 1 2 10 12 3 3 2 2 1 12 12 14 25 14 12 3 3 4 7 12 25 79 100 37 14 5 1 4 8 11 28 12 7 7 4 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H \| 70 69 tt 1H J 9 62 \| 61 61 s 2H \| 53 53 s 1H \| 22 21 td 2H J 61 82 \| 16 15 m 2H \| 14 13 m 4H \| 13 12 m 7H \| 13 12 s 4H \| 9 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1c[nH]c(CO)n1	ir: 2 1 2 1 0 1 1 2 1 1 2 2 3 2 3 2 2 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 1 2 3 4 2 2 2 1 1 2 4 5 1 2 2 2 11 9 14 11 11 16 14 9 10 26 14 7 11 5 13 15 8 35 20 9 10 15 19 11 13 25 17 49 29 41 10 14 11 8 8 38 96 29 7 8 6 6 9 9 21 18 9 17 16 16 9 9 2 1 4 6 14 35 64 17 58 28 42 15 4 3 8 5 24 41 21 12 10 4 1 1 1 3 3 13 15 9 1 1 1 1 1 0 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 1 1 1 1 1 1 2 2 1 1 1 1 1 1 5 4 14 9 5 6 11 11 25 5 13 14 6 22 24 34 19 92 28 42 21 29 34 28 18 7 12 48 71 41 27 100 63 13 12 3 2 1 2 2 1 3 1 1 1 1 1 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 d 1H J 51 \| 71 70 dd 1H J 7 51 \| 47 46 d 2H J 46 \| 34 33 t 1H J 46 \| 31 30 heptd 1H J 7 66 \| 14 14 d 6H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1(c2ccc3c(cnn3-c3ccc(F)cc3)c2)CCCCC1	ir: 1 1 1 1 1 1 2 3 0 1 1 0 1 1 1 1 2 1 1 2 1 1 1 0 0 0 1 1 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 2 5 18 7 2 1 2 0 1 1 0 0 7 1 2 1 2 6 1 6 1 1 0 0 1 1 1 1 3 3 2 0 1 1 1 1 6 4 1 2 3 2 1 2 1 1 0 1 3 4 1 1 1 1 1 1 1 3 3 2 1 1 1 2 1 1 1 1 3 1 1 3 6 2 1 1 0 1 1 1 15 1 1 0 0 0 0 1 0 0 1 3 1 0 0 1 3 12 3 3 2 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 2 2 3 1 1 1 1 1 1 1 1 1 1 4 2 5 27 5 3 2 1 1 2 5 100 5 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 3 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 17 \| 80 80 t 1H J 19 \| 77 76 m 2H \| 75 74 d 1H J 84 \| 74 73 m 2H \| 73 73 dd 1H J 21 83 \| 33 33 s 1H \| 22 21 ddd 2H J 55 79 141 \| 20 19 ddd 2H J 53 82 141 \| 18 17 ddq 2H J 57 82 139 \| 17 15 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C(=C/c1ccc2[nH]c(C)cc2c1)OCC	ir: 15 28 53 72 24 9 11 21 11 4 3 7 9 4 1 6 9 5 3 11 12 10 17 9 8 5 6 60 24 13 3 9 8 16 56 27 9 1 3 9 7 2 7 13 14 25 19 13 15 6 12 11 6 3 25 47 17 4 6 8 5 6 7 10 11 8 12 20 55 31 14 17 14 10 15 22 6 4 7 8 2 3 10 33 100 4 8 7 2 5 8 11 6 11 12 15 45 19 35 16 44 16 60 7 6 8 9 6 2 5 21 25 32 16 11 18 21 13 16 6 3 10 45 24 19 18 19 10 22 12 12 3 1 6 7 3 2 6 7 2 12 12 8 13 30 8 7 9 37 23 5 2 4 16 12 5 13 42 42 16 4 9 5 0 3 12 6 1 3 8 4 0 4 8 3 1 4 7 3 1 5 7 3 1 5 7 3 1 5 7 2 1 5 6 2 1 5 6 2 2 6 6 2 2 6 5 1 2 6 5 1 3 6 5 1 3 7 4 1 3 7 4 0 3 7 4 0 4 7 4 0 4 7 4 1 4 7 3 1 5 6 3 1 5 7 3 1 5 6 3 2 5 6 2 2 5 5 2 3 6 5 2 3 6 5 2 4 7 7 7 6 9 6 3 5 8 7 2 7 11 11 11 21 35 50 33 68 69 75 36 27 10 9 4 7 9 7 4 8 9 3 2 5 6 3 2 6 6 6 17 39 27 26 34 27 50 42 8 7 7 2 3 6 5 3 5 7 7 2 4 6 4 1 3 6 4 1 3 7 4 1 4 7 4 1 4 6 3 1 4 6 3 1 4 6 3 1 5 6 3 2 5 6 3 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 6 5 2 3 6 4 2 3 6 4 1 3 6 4 1 4 6 4 1; 1HNMR: 77 77 m 2H \| 74 73 m 2H \| 66 66 s 1H \| 61 61 d 1H J 20 \| 42 41 m 4H \| 24 24 s 2H \| 15 14 t 3H J 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.

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