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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
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)CC1	ir: 14 14 12 28 10 19 18 18 15 35 89 27 20 7 4 5 11 68 38 10 4 12 2 4 2 2 3 4 4 8 51 17 4 4 3 1 3 5 6 7 3 18 3 4 7 3 3 1 3 3 3 1 2 5 26 27 9 6 8 5 10 6 9 4 12 19 14 5 14 6 2 3 3 4 15 6 3 4 13 28 7 5 12 96 11 18 24 7 18 6 5 9 12 3 10 41 18 9 10 7 9 6 7 15 6 5 14 2 4 3 2 3 4 8 8 5 10 35 13 18 22 16 58 27 8 7 4 7 11 29 34 30 4 3 2 3 13 8 7 13 11 4 4 8 100 4 4 7 45 4 8 93 14 7 12 12 4 3 9 3 3 1 8 0 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 3 4 8 4 4 5 6 4 3 2 3 5 7 4 31 77 5 10 59 14 33 41 10 5 2 3 4 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2; 1HNMR: 83 82 t 1H J 22 \| 82 81 d 1H J 89 \| 79 78 dd 1H J 22 90 \| 75 75 d 1H J 53 \| 68 68 dd 1H J 21 52 \| 37 36 m 5H \| 34 34 m 5H \| 16 16 s 8H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1[C@@H](C[C@@H](Sc2ccc(Cl)cc2C#N)c2cncs2)COC1(C)C	ir: 13 16 28 12 3 10 7 9 4 14 40 26 34 11 6 9 6 11 5 11 10 19 31 7 3 4 6 3 4 3 4 9 8 9 3 2 3 3 10 6 13 9 3 3 4 3 4 4 5 2 5 8 7 9 39 20 9 8 15 6 5 13 4 2 3 2 3 7 12 8 5 8 7 5 4 2 2 3 6 2 3 2 5 5 5 3 5 4 6 4 20 23 4 10 6 5 5 8 11 26 23 16 10 6 8 11 4 6 6 28 8 8 5 8 20 27 31 9 7 7 9 14 5 8 5 6 5 9 9 18 100 69 21 24 7 5 3 4 23 12 3 2 2 3 3 1 4 11 4 0 34 42 4 6 3 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 66 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 5 8 8 6 4 4 5 5 2 6 8 9 17 16 28 63 35 26 23 32 5 5 3 2 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 88 88 d 1H J 16 \| 77 76 m 1H \| 76 76 dd 1H J 7 15 \| 75 74 m 2H \| 45 44 m 1H \| 41 40 tdd 1H J 33 51 64 \| 40 39 dd 1H J 33 104 \| 38 37 dd 1H J 51 104 \| 26 25 ddd 1H J 54 65 121 \| 23 22 m 1H \| 16 16 s 3H \| 15 14 d 11H J 123	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2ccc(C(O)C(F)(F)F)cn2)cn1	ir: 5 5 11 3 2 4 7 4 1 2 4 6 7 8 10 3 2 2 4 1 1 2 4 1 1 1 1 8 1 1 2 0 2 2 4 29 5 5 40 9 3 2 2 1 1 1 3 8 6 3 3 1 5 14 24 6 5 3 5 1 1 2 1 1 2 4 6 6 5 12 12 2 3 2 2 2 2 2 2 2 2 3 2 6 3 20 49 99 64 59 27 16 8 2 3 3 1 2 6 8 6 11 43 10 4 3 1 1 1 1 0 2 2 2 1 3 8 3 6 5 4 5 4 5 4 5 6 6 27 6 1 2 3 1 1 1 2 1 1 12 17 6 4 3 2 1 1 2 6 63 9 55 4 4 2 1 1 3 1 1 1 3 26 5 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 1 3 1 1 2 1 2 2 3 4 4 1 9 8 9 27 31 7 9 53 6 12 9 100 4 10 3 2 2 3 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 86 86 dd 1H J 7 19 \| 81 81 s 1H \| 79 78 ddd 1H J 7 19 77 \| 78 77 d 1H J 77 \| 76 76 s 1H \| 56 55 dq 1H J 36 81 \| 54 53 m 1H \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C)c(COc2ccc(C(=O)CCC(=O)O)cc2)c1	ir: 4 3 6 6 4 10 10 6 6 8 10 9 9 22 13 13 9 15 12 32 38 46 47 9 14 5 3 5 3 2 2 3 3 1 2 3 6 10 8 5 9 6 6 4 3 2 2 2 3 4 6 5 14 12 30 26 10 8 6 4 6 2 3 3 4 9 7 4 7 4 6 7 3 2 4 10 14 29 100 25 24 13 5 5 7 5 5 3 3 4 6 6 12 21 8 7 3 7 4 9 1 3 1 2 1 1 3 2 5 6 3 2 5 3 3 5 4 5 10 5 8 11 13 8 14 9 21 6 6 6 8 10 4 5 5 3 2 1 3 3 19 33 37 84 18 6 2 5 6 19 14 14 5 8 3 4 2 1 1 2 1 5 3 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 3 3 4 2 4 4 2 4 5 31 10 41 90 46 21 4 3 3 4 4 5 23 50 18 0 2 2 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 m 2H \| 71 70 m 1H \| 71 70 ddt 3H J 12 89 102 \| 70 69 ddd 1H J 9 22 86 \| 51 51 d 2H J 10 \| 33 33 t 2H J 91 \| 28 27 t 2H J 91 \| 23 23 d 6H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c([N+](=O)[O-])c(=O)n(-c2ccccc2)n1-c1ccccc1	ir: 1 5 6 3 0 4 7 3 0 5 7 4 1 8 6 3 1 4 5 3 1 5 6 1 1 4 5 2 3 7 7 9 3 7 8 5 5 10 100 18 16 32 29 19 12 15 10 2 7 6 5 2 8 7 3 0 3 6 3 0 3 6 4 1 4 5 4 6 19 17 9 0 4 6 3 3 9 13 6 9 5 5 2 1 5 5 2 2 4 4 1 3 5 4 1 2 6 5 2 3 5 4 2 16 15 4 0 3 6 3 0 3 5 4 1 4 6 3 1 4 7 4 3 4 6 3 1 4 6 3 1 4 5 13 15 16 11 2 3 5 10 22 14 16 9 10 14 10 6 3 4 12 24 4 10 9 5 3 5 11 14 17 8 6 4 2 3 6 3 0 3 6 3 0 3 6 3 0 3 5 3 1 4 5 2 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 1 2 5 4 1 2 5 4 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 0 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 4 1 3 6 3 1 4 7 5 8 9 16 26 70 27 11 13 6 7 6 4 2 4 5 3 2 4 4 3 2 4 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 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 1 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 4 2 2 4 3 2 3 4 3 1 3 4 3 1 3 4 3 1 3 5; 1HNMR: 76 75 m 2H \| 75 74 m 6H \| 74 73 m 2H \| 24 23 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Cn2[nH]c(N)cc2=O)cc1C(F)(F)F	ir: 1 2 1 1 0 1 2 6 2 10 11 12 4 3 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 3 0 1 1 0 1 1 1 2 0 1 1 0 1 0 1 0 1 1 1 1 1 1 3 0 1 1 0 0 1 1 1 7 3 5 1 1 2 1 1 0 1 1 1 1 1 1 1 4 1 1 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 2 2 9 1 1 0 1 14 1 3 6 2 1 0 0 1 1 2 3 3 2 1 1 1 2 1 1 1 1 0 1 1 1 9 2 1 0 0 0 1 0 0 1 3 3 1 2 2 0 1 0 1 1 1 1 1 0 1 3 15 3 1 1 3 2 100 10 2 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 3 2 4 5 1 1 1 1 1 0 0 0 0 0 0 1 0 0 1 7 2 1 1 1 1 1 3 6 4 3 5 12 12 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 s 1H \| 75 75 dq 1H J 9 20 \| 73 73 dq 1H J 10 73 \| 73 72 ddt 1H J 9 21 73 \| 48 47 t 2H J 8 \| 45 45 s 2H \| 44 43 s 1H \| 24 23 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2ccc(OC3CCC3)nc2)ccn1	ir: 2 2 5 5 1 5 4 1 2 2 3 2 1 2 2 1 1 4 25 19 4 4 3 3 2 1 2 1 3 5 7 6 12 8 19 82 22 18 10 3 13 9 9 24 9 14 18 27 40 14 5 2 11 24 31 7 3 2 1 1 4 2 2 9 5 3 13 17 19 15 2 6 27 6 4 2 2 4 11 3 3 13 3 5 5 6 1 4 2 2 10 7 4 6 5 3 9 3 0 7 3 5 2 18 20 9 18 2 3 2 4 3 3 2 2 2 12 7 8 5 2 1 1 2 2 3 5 7 10 2 1 22 35 23 5 7 16 100 45 1 7 5 13 5 5 61 14 42 9 21 5 11 12 8 4 2 3 9 8 3 2 1 3 15 7 4 2 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 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 7 5 2 3 10 6 4 5 17 11 86 32 11 14 7 3 5 1 2 1 2 1 1 1 1 1 1 2 2 2 4 4 7 7 41 55 28 5 2 2 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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: 90 89 d 1H J 47 \| 87 87 d 1H J 7 \| 87 86 d 1H J 19 \| 84 83 m 2H \| 79 78 m 2H \| 78 77 ddd 1H J 12 22 79 \| 77 76 dd 1H J 22 46 \| 76 75 t 1H J 79 \| 69 69 d 1H J 84 \| 47 47 m 1H \| 44 43 m 1H \| 21 20 m 2H \| 19 17 m 4H \| 17 16 m 2H \| 15 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cc2cccnc2c(Br)n1	ir: 0 0 1 0 0 10 14 6 1 1 1 2 4 0 1 1 2 3 2 4 1 3 1 11 2 2 3 3 34 11 6 5 3 6 26 18 100 32 16 5 3 7 3 3 2 1 1 1 1 2 7 6 1 3 1 1 0 1 1 0 2 2 1 0 2 3 4 7 35 11 17 4 2 9 7 1 1 1 1 1 1 1 0 0 3 1 4 0 2 1 1 0 1 1 0 1 2 4 1 1 1 3 7 4 49 11 2 1 2 4 6 3 1 1 2 1 3 4 4 3 42 7 3 1 3 1 0 1 2 1 1 2 1 4 2 2 1 2 12 4 4 2 1 6 16 36 16 74 57 5 5 100 56 7 2 1 21 2 1 0 1 1 1 1 1 7 13 3 2 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 3 0 0 1 1 0 1 1 2 0 1 4 3 5 3 6 8 10 24 5 6 2 1 1 1 0 1 1 1 1 2 1 0 0 1 1 1 3 15 69 22 29 30 37 9 3 1 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 \| 88 88 dd 1H J 17 39 \| 82 82 dt 1H J 19 77 \| 80 80 d 1H J 21 \| 76 76 dd 1H J 40 77 \| 22 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(N)cc(C(=O)O)cc1F	ir: 16 15 15 19 31 17 8 6 3 2 3 3 8 8 6 11 19 10 9 3 3 29 51 17 11 10 2 6 3 3 1 6 3 4 6 5 2 1 1 2 2 1 1 2 2 1 2 3 2 1 3 2 2 1 2 4 2 0 1 3 1 0 1 2 1 1 7 33 23 5 2 2 1 1 2 5 4 37 100 45 13 2 1 1 2 4 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 2 1 0 1 3 14 1 1 2 1 1 12 3 2 0 7 21 11 1 1 1 1 1 4 6 5 3 2 2 1 1 1 1 1 1 1 1 4 6 3 1 0 0 17 11 7 5 1 1 2 6 21 44 23 3 0 80 31 6 4 2 10 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 1 0 1 1 1 1 2 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 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 0 1 2 2 1 2 2 1 0 2 5 3 3 3 24 18 1 2 2 1 0 1 1 3 13 1 1 1 0 1 2 1 28 47 2 1 1 1 1 1 1 2 3 10 26 69 7 2 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 2 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 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 75 dd 1H J 22 121 \| 73 72 d 1H J 22 \| 45 45 s 2H \| 22 22 d 3H J 37	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNC(=O)c1ccc2cncc(Br)c2n1	ir: 8 4 3 6 6 4 4 4 4 4 3 4 6 5 8 14 5 6 5 4 4 4 3 6 4 4 6 4 4 4 4 4 4 6 9 5 5 4 4 6 6 7 35 26 10 9 5 5 8 17 11 14 100 0 21 5 5 4 5 6 6 6 25 26 33 43 18 15 10 7 25 5 4 4 4 5 6 11 8 5 4 4 4 5 6 5 7 4 8 5 4 7 17 6 4 4 4 4 4 4 9 4 4 4 4 6 4 4 4 5 4 5 16 4 4 4 4 4 4 4 4 4 4 4 5 4 4 9 6 4 4 5 15 95 70 14 3 5 5 3 3 5 14 5 7 5 5 3 7 27 26 12 7 5 4 16 6 8 4 4 4 4 4 4 4 6 5 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 6 13 20 4 5 6 5 4 4 5 4 3 4 4 5 14 18 18 6 5 5 4 5 25 90 37 13 24 7 5 6 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3; 1HNMR: 91 91 t 1H J 46 \| 90 90 t 1H J 18 \| 86 86 d 1H J 18 \| 86 85 dd 1H J 18 86 \| 82 82 d 1H J 86 \| 44 44 d 2H J 46	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCl)Nc1cc(-c2nccs2)nc(-c2ccco2)n1	ir: 7 3 7 2 5 3 1 2 6 2 3 4 2 3 2 3 5 1 7 4 2 2 2 3 2 5 1 3 2 1 10 6 3 2 2 3 2 2 2 4 3 7 6 10 7 4 13 11 13 18 46 11 3 2 2 6 4 1 2 3 2 1 1 5 1 1 1 1 1 0 1 7 6 5 4 4 1 0 1 1 1 1 1 1 2 6 22 8 3 11 7 23 4 1 2 3 10 8 12 10 4 3 3 13 8 5 15 17 22 6 5 5 5 4 10 7 0 7 4 1 1 2 4 1 0 4 6 4 1 9 23 12 4 2 2 3 2 2 2 2 2 4 10 9 3 3 2 9 5 6 6 6 7 11 5 3 1 2 3 17 2 2 1 0 12 11 1 1 1 1 1 0 1 1 0 0 1 17 16 39 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 2 3 4 7 3 4 2 5 7 2 20 26 14 31 100 74 16 4 4 1 0 2 2 1 1 1 2 1 0 1 1 1 1 2 2 2 2 6 13 10 13 5 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 83 83 t 1H J 15 \| 80 80 s 1H \| 80 79 d 1H J 42 \| 74 74 d 1H J 44 \| 73 72 dd 1H J 16 66 \| 68 67 dd 1H J 13 66 \| 43 42 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCc1cc(C#CC2(O)CN3CCC2CC3)ccc1OCC(=O)OCC	ir: 2 7 5 4 2 4 12 7 1 4 4 2 4 4 3 1 1 2 2 4 3 2 6 9 7 3 7 4 2 3 6 7 2 3 2 1 2 3 2 3 3 2 3 7 9 6 5 8 15 33 11 16 8 4 14 19 12 3 3 2 5 4 4 11 3 4 3 12 17 11 13 27 26 9 43 11 7 2 4 8 35 100 13 15 15 31 10 5 9 13 16 7 3 2 4 3 3 10 28 8 14 11 5 3 3 6 26 4 1 2 2 4 20 13 14 9 1 8 9 8 12 9 4 5 6 7 4 13 13 7 5 4 1 2 3 6 13 10 7 6 4 3 4 27 30 14 6 4 4 6 16 3 4 4 3 2 1 1 2 2 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 0 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 0 1 1 0 1 1 1 1 1 3 2 3 2 2 6 5 3 4 4 11 26 17 11 13 40 13 20 40 20 7 6 8 3 6 6 16 7 3 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 dd 1H J 22 81 \| 73 72 dt 1H J 8 21 \| 69 69 d 1H J 81 \| 59 58 ddt 1H J 66 101 167 \| 51 50 m 1H \| 50 49 m 1H \| 47 46 s 2H \| 43 42 q 2H J 66 \| 37 36 s 1H \| 33 33 m 2H \| 32 32 d 1H J 115 \| 30 29 m 3H \| 29 28 ddd 2H J 44 71 117 \| 23 22 p 1H J 44 \| 20 19 ddt 2H J 44 71 116 \| 17 16 ddt 2H J 44 71 117 \| 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.
CCOC(=O)CN1CCCC(n2c(=O)[nH]c3cnc4[nH]ccc4c32)C1	ir: 4 3 6 5 7 2 3 4 13 32 1 4 6 1 3 5 1 1 2 2 1 11 3 2 1 11 25 8 8 3 2 3 1 2 1 0 5 24 18 4 3 4 12 2 22 0 0 2 1 1 3 2 2 1 1 2 1 1 1 5 2 0 2 2 1 1 1 1 1 1 3 2 4 6 3 1 2 1 1 1 7 6 4 2 13 22 2 2 1 1 4 4 4 12 2 1 1 1 1 3 3 2 18 3 6 4 3 3 1 1 2 2 16 2 2 1 2 2 1 3 4 2 3 3 4 2 2 4 3 2 1 1 1 1 1 4 8 8 2 6 9 7 4 11 16 6 3 6 2 1 1 3 5 100 9 3 41 2 2 29 4 1 4 1 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 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 1 1 1 1 0 0 0 0 1 1 0 1 1 1 1 1 1 1 5 2 1 1 1 2 2 2 2 7 1 1 1 3 6 8 14 3 3 1 1 1 1 1 1 1 1 1 2 1 0 2 1 2 5 11 47 33 19 11 9 3 2 1 1 1 1 1 1 1 1 1 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 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; 1HNMR: 100 100 s 1H \| 87 87 s 1H \| 74 74 dd 1H J 53 64 \| 66 66 d 1H J 53 \| 46 45 m 1H \| 41 41 q 2H J 66 \| 34 33 m 2H \| 32 31 dd 1H J 48 110 \| 29 28 dd 1H J 49 111 \| 28 28 dddd 1H J 11 25 63 119 \| 28 27 m 1H \| 21 20 m 1H \| 19 17 m 2H \| 17 16 m 1H \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cccc2c1CCN(C(=O)OC(C)(C)C)C2	ir: 7 4 6 11 15 15 12 2 3 11 54 47 8 3 3 8 4 3 3 2 3 7 4 1 1 1 2 1 1 2 3 1 1 4 2 0 1 4 4 2 1 4 4 1 25 66 34 13 5 1 6 16 11 1 2 3 4 3 2 1 2 2 6 1 2 1 1 1 2 3 3 2 2 5 6 10 10 4 2 2 1 2 3 1 2 3 4 9 10 9 7 4 24 3 2 2 3 3 3 4 6 11 8 5 3 5 3 2 3 2 6 11 16 13 6 7 11 11 58 41 9 33 35 12 10 3 0 11 5 11 12 8 7 4 13 55 22 19 16 3 6 8 3 2 2 0 0 3 3 0 17 19 5 1 2 2 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 2 1 1 2 5 4 5 3 2 3 5 5 3 2 6 8 13 12 17 6 13 100 15 5 2 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1; 1HNMR: 72 71 t 1H J 83 \| 69 69 dq 1H J 9 83 \| 68 67 dd 1H J 11 82 \| 45 45 d 2H J 9 \| 41 40 q 2H J 63 \| 37 37 t 2H J 52 \| 30 30 td 2H J 28 50 \| 15 14 m 11H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OCCCCCCBr)cc2)cc1	ir: 6 9 6 10 3 4 3 5 3 3 3 5 7 8 55 12 4 2 1 1 3 1 1 1 1 1 3 2 0 3 2 1 3 22 3 2 4 26 6 11 7 6 4 4 3 3 2 1 3 3 3 1 8 18 30 100 44 7 10 4 3 4 4 3 3 0 10 10 14 30 11 1 18 24 10 1 3 1 1 1 1 1 0 1 3 8 8 12 11 6 8 3 3 4 4 2 1 2 2 1 2 4 4 8 5 15 21 11 7 3 13 5 7 3 5 3 3 3 16 10 7 10 3 4 3 12 5 3 1 3 4 2 21 2 0 1 1 1 1 2 2 3 7 51 12 36 38 5 34 27 8 21 25 17 4 3 3 2 1 1 4 3 3 2 1 1 0 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 1 0 1 1 1 0 1 1 0 0 1 1 1 0 0 1 1 0 1 1 0 1 1 1 0 1 0 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 3 5 4 5 4 3 3 4 9 4 4 5 11 15 37 68 22 4 6 5 2 7 6 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 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 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; 1HNMR: 81 81 m 2H \| 72 71 m 2H \| 71 70 m 2H \| 69 69 m 2H \| 62 61 dd 1H J 110 170 \| 61 60 dd 1H J 31 170 \| 59 58 dd 1H J 31 110 \| 41 41 t 2H J 64 \| 40 40 t 4H J 63 \| 34 34 t 2H J 47 \| 19 17 m 6H \| 17 16 tt 2H J 63 76 \| 16 14 m 4H \| 14 12 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c42)C3=C[C@@H]1O	ir: 4 5 4 5 4 4 3 4 4 7 15 30 10 6 9 18 6 9 4 3 4 5 4 4 7 3 5 5 4 3 7 4 3 2 3 3 3 2 3 3 4 3 3 3 4 3 3 3 3 4 5 3 4 6 7 4 3 2 4 4 4 6 7 16 4 4 5 8 5 4 6 5 4 3 6 9 5 4 10 17 5 5 4 5 3 17 33 9 8 5 10 26 8 5 5 18 4 5 5 4 5 4 3 4 4 3 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 5 4 5 3 6 3 6 4 4 5 3 3 3 3 2 3 4 7 3 3 3 2 2 3 3 2 2 5 4 6 10 5 3 3 4 3 4 7 3 4 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 3 3 3 3 3 3 3 2 2 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 4 3 4 3 3 3 5 3 3 8 8 12 16 6 5 3 2 5 9 8 84 100 0 5 6 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2; 1HNMR: 68 67 d 1H J 77 \| 66 66 dt 1H J 8 77 \| 62 61 s 1H \| 59 59 dd 1H J 17 59 \| 55 55 dt 1H J 9 18 \| 48 48 tdd 1H J 9 18 57 \| 38 37 s 2H \| 37 37 dddt 1H J 12 29 45 58 \| 37 37 d 1H J 57 \| 37 36 s 3H \| 31 30 m 2H \| 28 27 m 2H \| 24 24 d 3H J 14 \| 22 22 dddd 1H J 9 43 70 112 \| 20 20 dddd 1H J 9 42 70 113	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2S(=O)(=O)c2ccc(C)cc2)cc1	ir: 4 2 1 1 2 2 3 3 6 3 3 9 11 9 4 5 2 2 0 2 2 5 1 4 6 5 2 5 6 1 2 3 5 2 2 3 2 1 1 4 4 3 3 4 3 3 2 4 3 3 4 2 9 28 8 4 5 0 2 2 5 1 2 4 13 12 3 3 6 17 8 5 4 9 31 9 3 2 3 4 6 16 6 15 5 1 3 3 1 1 4 4 1 14 8 2 2 2 2 2 2 1 2 2 1 1 2 2 4 2 2 2 1 2 3 1 1 3 5 4 7 4 5 7 3 8 4 3 3 3 5 13 27 12 7 7 4 3 2 2 1 2 2 1 9 9 46 13 4 22 3 3 8 3 1 1 1 2 1 1 2 2 3 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 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 2 3 3 2 3 4 3 1 3 5 9 13 25 38 13 7 3 2 2 2 2 2 2 3 3 5 3 24 8 10 6 6 3 5 2 100 67 5 3 2 2 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 m 2H \| 76 75 m 2H \| 74 73 m 4H \| 39 38 t 2H J 70 \| 28 28 d 2H J 70 \| 27 27 s 2H \| 24 24 m 6H \| 21 20 dp 1H J 72 143 \| 17 16 t 2H J 71 \| 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=C1OCCc2cc(-c3ccccc3)nc(Cl)c21	ir: 20 11 1 8 14 7 0 11 16 9 3 8 14 7 4 9 12 5 5 10 11 6 2 11 11 4 3 11 11 3 8 13 11 33 6 11 10 3 21 24 16 6 10 12 9 3 6 11 8 2 7 13 7 1 6 13 9 0 7 13 6 1 7 15 11 5 13 18 16 27 12 13 7 4 9 12 5 3 11 12 5 4 9 10 4 4 9 9 3 4 10 9 4 5 10 9 5 6 25 18 6 8 12 8 3 7 36 30 1 6 13 9 3 12 17 8 2 8 13 7 3 7 13 7 5 9 12 6 3 10 13 9 26 12 19 60 20 10 11 4 7 11 11 31 21 50 31 9 6 10 9 12 51 61 23 1 28 74 11 2 6 16 29 38 8 12 7 2 6 12 6 1 7 12 6 2 7 11 6 2 8 11 6 2 8 10 5 3 8 10 5 3 8 10 4 4 9 9 4 4 9 9 4 4 9 9 4 5 10 8 3 5 10 8 3 5 10 7 2 6 11 7 2 6 11 7 2 6 11 6 2 7 11 6 2 7 11 6 3 7 10 5 3 8 10 5 3 8 10 5 4 8 9 4 4 9 9 4 4 9 9 4 5 9 8 4 5 10 8 3 5 10 8 4 8 12 10 5 6 11 7 4 9 14 19 4 45 100 32 27 14 11 7 5 8 10 6 6 8 10 6 4 8 9 5 4 8 9 5 4 8 9 5 4 9 8 4 5 9 8 4 5 9 8 4 5 9 7 3 6 10 7 3 6 10 7 3 6 10 7 3 6 10 6 3 7 10 6 3 7 10 6 3 7 9 6 4 7 9 5 4 8 9 5 4 8 9 5 4 8 8 5 5 8 8 4 5 9 8 4 5 9 8 4 6 9 7 4 6 9 7 3 6 10 7 3 6 10 7 3; 1HNMR: 80 80 m 2H \| 78 77 t 1H J 10 \| 75 74 m 2H \| 74 73 m 1H \| 44 44 m 2H \| 32 32 td 2H J 9 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)C#Cc1cc(Br)cnc1N	ir: 3 1 3 1 1 1 1 0 1 1 3 3 3 3 1 1 1 1 1 1 1 1 1 1 2 1 1 0 1 2 1 0 0 2 7 15 2 3 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 2 1 0 1 2 2 2 2 2 3 3 2 2 1 1 1 1 1 0 0 0 0 1 2 0 2 1 1 1 1 1 1 2 2 3 1 0 0 0 0 0 0 0 0 1 2 0 0 0 0 1 2 2 1 0 0 1 0 3 1 1 1 2 1 1 0 0 0 0 0 1 0 0 1 1 0 1 3 16 11 1 1 6 20 13 8 1 1 1 3 7 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 1 1 0 1 1 2 1 1 1 0 1 2 0 0 1 1 2 14 5 0 0 1 0 0 0 1 1 5 4 0 0 0 0 0 1 1 0 0 1 7 100 5 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; 1HNMR: 82 82 d 1H J 16 \| 79 79 d 1H J 16 \| 62 62 s 2H \| 27 26 s 1H \| 16 16 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N)CC1CCCCC1	ir: 2 1 3 1 0 1 1 1 1 0 1 1 1 0 1 1 1 3 2 1 1 1 1 1 2 2 1 0 1 1 1 2 1 1 1 1 1 2 2 4 5 5 9 1 2 2 1 1 5 3 2 3 5 15 2 20 17 53 19 13 4 8 11 44 13 5 7 14 8 2 3 7 6 6 7 6 8 4 3 55 27 3 4 7 5 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 3 2 3 9 4 1 9 6 5 3 3 4 2 4 2 2 4 2 4 4 5 4 4 13 10 5 37 70 100 49 4 5 4 4 2 1 3 2 2 1 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 0 1 0 0 0 0 0 0 1 1 1 1 1 2 1 7 5 4 2 2 1 4 2 3 7 10 4 1 1 1 1 1 1 1 1 1 1 1 1 4 12 7 83 97 17 12 9 6 6 5 22 48 8 3 2 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 30 29 m 1H J 59 \| 17 16 m 4H \| 15 13 m 9H \| 12 11 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1c2ccccc2CC1c1cc(Cl)ccc1NC(=O)C(C)(C)C	ir: 4 5 4 2 1 2 3 3 0 2 4 5 10 6 2 2 1 3 3 8 15 2 4 2 2 9 5 5 4 4 4 2 2 3 3 5 3 4 13 5 13 22 32 52 40 29 6 5 7 13 5 2 4 8 13 29 13 5 4 2 3 18 11 5 3 2 3 5 10 14 13 5 4 3 4 3 3 3 4 3 4 3 2 2 4 6 3 7 4 8 3 2 3 2 2 2 4 5 3 11 12 16 3 3 5 6 1 2 3 2 0 3 4 2 2 5 8 6 4 5 7 5 2 3 5 3 1 4 6 10 23 15 10 4 2 4 3 7 11 17 7 4 2 7 7 0 48 100 26 48 16 22 18 26 56 4 6 4 3 4 10 4 3 2 2 2 2 2 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 3 2 2 2 3 2 3 2 3 2 3 4 6 18 24 15 12 52 58 21 4 3 3 3 3 2 2 2 1 1 2 2 2 2 3 3 3 3 6 8 15 26 25 33 9 2 4 2 1 2 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 90 90 s 1H \| 76 75 d 1H J 81 \| 75 74 dd 1H J 7 21 \| 73 72 m 5H \| 71 71 ddd 1H J 14 76 84 \| 54 53 m 1H \| 33 33 ddd 1H J 8 59 139 \| 31 30 ddd 1H J 8 59 141 \| 23 23 s 3H \| 12 12 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)COc1cccc(/C=C/c2nc3ccccc3s2)c1	ir: 2 2 1 2 8 3 1 2 1 1 1 1 1 1 1 2 4 1 0 1 2 0 0 1 2 1 1 3 2 1 1 3 1 0 0 0 0 1 0 0 0 1 2 13 1 2 1 64 2 0 0 1 1 1 1 1 2 0 0 1 0 1 1 2 1 0 1 3 1 2 9 2 2 3 11 10 8 8 2 1 0 0 0 0 1 7 1 1 1 4 1 1 1 1 1 2 0 0 0 2 2 1 2 0 2 1 0 1 1 1 2 1 1 1 2 1 2 1 1 1 2 2 2 2 1 3 5 2 2 1 1 2 10 3 2 1 1 1 2 1 7 4 18 10 13 46 5 2 9 2 1 0 1 1 6 3 0 0 1 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 2 7 7 4 7 100 10 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 ddd 2H J 14 71 146 \| 75 75 td 1H J 16 73 \| 75 74 td 1H J 14 75 \| 73 72 t 1H J 78 \| 72 72 d 1H J 144 \| 72 71 m 1H \| 71 70 m 1H \| 70 70 dd 1H J 18 26 \| 69 69 dt 1H J 26 77 \| 47 47 s 2H \| 43 42 q 2H J 66 \| 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.
Cc1cc(=O)c(CN)c(C)[nH]1	ir: 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 0 1 1 3 1 1 1 1 0 1 1 1 1 1 1 1 2 5 6 4 4 14 5 2 2 1 3 1 1 1 2 1 2 4 13 3 7 8 6 4 3 2 2 4 13 22 5 2 1 2 2 2 3 2 1 1 1 1 1 1 1 2 2 1 3 29 3 1 1 2 2 4 3 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 5 2 6 4 3 23 9 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 24 2 1 1 1 0 1 52 18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 1 2 2 2 1 1 1 1 2 1 2 1 3 7 5 4 2 1 5 3 4 100 7 4 6 18 29 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; 1HNMR: 89 89 s 1H \| 57 56 q 1H J 14 \| 39 38 m 2H \| 38 37 td 2H J 8 60 \| 23 23 d 3H J 13 \| 22 22 t 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(-c2n[nH]c(C3CNC3)n2)nc1	ir: 4 5 6 4 3 4 4 4 4 4 4 5 4 4 4 11 7 5 4 4 4 4 4 4 5 7 6 4 4 5 5 4 4 5 4 4 4 4 4 4 4 5 4 4 4 4 4 5 5 4 5 16 13 11 20 11 5 9 4 0 25 100 18 10 5 2 8 12 13 4 4 4 4 5 5 9 10 11 14 1 45 8 6 6 13 10 7 5 4 5 7 5 4 4 4 5 13 7 21 8 4 4 5 5 6 5 5 5 12 10 21 9 11 7 7 12 16 9 6 5 9 13 10 8 8 6 8 7 3 4 7 13 5 5 4 4 5 8 9 5 8 4 4 4 4 8 35 7 4 4 4 4 4 4 4 4 4 7 21 5 4 4 4 4 4 10 5 7 7 11 7 5 7 4 4 4 5 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 3 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 5 4 8 6 18 15 25 14 8 6 11 58 51 41 9 4 5 5 6 5 6 9 9 74 8 4 4 4 4 4 4 4 20 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3; 1HNMR: 88 88 dd 1H J 17 41 \| 83 83 dd 1H J 13 92 \| 78 78 ddd 1H J 17 72 90 \| 73 73 ddd 1H J 14 40 71 \| 38 37 p 1H J 27 \| 37 36 ddd 2H J 26 48 123 \| 34 33 ddd 2H J 27 48 123 \| 30 29 p 1H J 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]cnc2c(OCc3ccccc3)cc(C(O)c3cccnc3)cc12	ir: 4 6 5 8 5 8 8 14 13 6 5 6 7 4 5 7 10 12 4 5 6 5 4 5 5 6 7 12 8 8 20 15 26 11 27 14 27 16 7 9 50 10 5 9 8 6 18 16 17 13 78 62 11 0 6 11 5 5 10 7 8 11 17 8 7 7 16 18 12 7 10 19 16 6 6 9 9 7 8 9 8 6 7 10 5 17 52 35 13 25 13 6 4 6 8 7 6 16 10 6 8 7 5 4 4 4 4 4 4 4 7 12 31 18 10 8 4 6 6 12 13 11 7 5 9 8 10 8 16 16 9 7 25 13 8 8 4 6 5 14 11 11 10 28 6 7 8 16 3 7 9 100 19 9 12 28 43 8 13 56 17 22 10 5 4 4 4 4 4 3 4 4 3 3 4 3 4 4 4 3 4 4 4 3 4 4 3 3 3 4 3 4 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 3 4 3 3 4 4 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 4 4 4 4 4 4 4 3 4 5 4 4 5 5 6 5 5 5 7 5 8 6 10 14 21 42 47 17 11 7 7 5 12 20 21 9 7 7 4 4 5 6 4 4 6 9 17 14 12 88 45 17 8 8 6 5 5 4 6 4 4 4 4 4 4 4 4 4 4 4 3 4 4 3 3 4 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3; 1HNMR: 86 86 t 1H J 21 \| 85 84 dt 1H J 17 48 \| 81 81 d 1H J 70 \| 79 78 m 1H \| 77 76 m 1H \| 74 74 dq 2H J 10 72 \| 74 73 m 2H \| 73 73 m 2H \| 72 71 dd 1H J 7 21 \| 61 61 m 1H \| 51 51 d 2H J 11 \| 34 34 d 1H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1(COc2ccc3ncc(F)c(CCC45CCC(N)(CC4)CO5)c3n2)CC1	ir: 2 2 2 2 4 1 1 1 1 1 1 2 2 1 1 1 3 1 3 3 2 6 5 16 7 8 5 10 3 2 1 1 3 3 2 2 5 2 1 4 2 2 2 8 2 3 8 5 12 0 4 85 6 13 8 31 32 23 100 44 27 4 6 12 2 4 23 9 12 8 4 17 4 3 2 1 1 1 4 4 3 1 2 1 5 14 4 7 5 7 3 3 11 6 18 5 2 3 1 3 2 7 3 2 3 3 3 3 2 1 1 1 1 3 2 9 11 25 8 8 13 9 7 3 3 2 3 3 7 8 5 22 18 46 11 42 19 14 21 28 6 4 3 1 1 4 47 1 1 2 3 3 37 5 3 1 1 0 13 1 2 2 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 3 2 1 1 1 1 1 1 1 0 1 1 1 1 0 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 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 4 4 3 3 1 2 1 5 7 16 4 3 22 5 8 4 7 3 2 1 1 1 2 3 4 10 25 27 17 10 5 4 3 5 23 42 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 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 83 82 d 1H J 141 \| 82 81 d 1H J 81 \| 70 70 d 1H J 81 \| 43 42 s 2H \| 37 36 s 2H \| 34 34 td 2H J 47 80 \| 20 18 m 10H \| 18 17 ddd 2H J 44 72 141 \| 16 15 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(SC)ccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1C	ir: 1 3 2 3 5 2 5 5 13 5 4 4 3 8 4 1 6 2 4 11 18 6 6 2 2 4 3 2 2 4 3 3 2 6 12 9 24 21 11 12 19 7 100 4 3 2 4 3 3 3 3 4 5 3 22 15 3 2 5 6 3 2 1 4 7 3 8 11 10 4 3 3 2 1 4 4 1 2 3 2 2 1 2 3 8 5 7 3 3 1 2 4 3 2 2 2 2 4 6 3 1 3 4 2 4 2 2 2 2 3 7 16 8 5 5 14 6 5 51 11 6 3 10 10 13 9 1 9 5 8 19 6 4 13 18 5 6 9 2 3 3 7 6 4 5 18 57 14 44 27 14 12 4 16 34 5 10 3 1 3 6 8 2 1 1 0 1 1 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 0 1 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 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 2 1 2 1 2 2 2 3 4 6 6 4 2 4 3 7 29 19 15 39 94 21 7 7 2 3 3 1 1 0 1 1 1 1 1 1 0 0 1 0 0 0 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dd 1H J 13 70 \| 77 77 d 1H J 78 \| 76 75 s 1H \| 74 73 td 1H J 13 72 \| 72 71 m 2H \| 70 70 m 2H \| 39 38 m 9H \| 37 36 ddd 2H J 38 66 126 \| 28 27 ddd 2H J 38 66 136 \| 25 25 s 2H \| 25 24 ddd 2H J 38 65 136	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=NCCCC1(c2ccccc2)NN=C(c2cc(F)ccc2F)S1	ir: 9 4 4 14 20 40 32 100 6 13 9 10 6 7 6 5 13 8 3 2 3 2 2 2 1 2 2 4 7 12 31 12 13 4 5 6 3 2 2 12 8 20 7 5 3 1 1 1 1 1 1 3 2 21 27 9 2 3 2 3 2 1 2 3 1 2 8 5 7 9 6 7 4 6 6 4 3 3 3 2 1 1 1 2 1 2 2 2 2 4 3 1 1 1 1 4 6 10 4 2 11 14 9 6 5 2 3 1 1 2 4 2 6 2 1 2 2 3 8 6 2 3 2 2 8 8 6 5 5 3 2 1 1 6 9 29 7 3 2 2 1 2 7 42 32 49 22 5 5 17 6 4 3 3 2 2 1 0 0 1 1 3 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 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 4 7 21 4 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 2 3 3 1 2 2 2 1 1 5 5 6 1 17 60 54 9 2 2 3 2 1 1 1 2 1 0 1 1 0 0 1 1 1 1 1 1 2 13 39 5 2 1 1 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 74 m 2H \| 75 74 m 1H \| 73 73 m 3H \| 73 72 m 2H \| 61 60 s 1H \| 33 32 m 2H \| 27 26 dt 1H J 60 136 \| 24 23 dt 1H J 60 136 \| 20 19 dp 1H J 58 134 \| 18 17 dp 1H J 57 132	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(C2CCN(C(=O)OCc3ccccc3)C2)cc1N	ir: 34 17 23 40 25 51 34 72 14 15 19 18 22 26 8 8 13 9 12 15 8 6 6 5 7 4 4 4 5 6 6 9 4 6 5 4 30 24 12 10 23 41 53 7 4 3 4 4 4 3 5 3 3 4 3 4 3 3 3 2 8 5 3 10 11 6 6 2 10 6 8 14 9 30 9 14 16 56 13 5 3 3 2 3 3 5 17 6 5 14 3 2 5 3 3 3 5 11 14 5 3 3 11 6 3 4 3 4 36 11 6 5 41 10 3 10 4 5 11 5 7 11 7 12 8 4 4 6 14 11 5 5 35 34 22 6 4 9 10 3 7 16 53 17 5 9 4 6 3 11 15 33 14 13 29 5 3 5 5 6 30 100 31 12 5 0 3 5 3 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 2 2 3 2 1 2 3 3 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 3 3 2 3 3 3 3 3 3 4 5 6 5 3 3 4 3 4 5 10 35 18 21 28 28 24 10 5 4 3 4 3 5 6 3 3 3 2 3 4 5 23 36 3 5 3 1 1 3 3 2 1 19 82 60 20 9 4 2 2 2 2 2 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 2 3 2 1 2 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2; 1HNMR: 74 73 m 6H \| 54 53 d 1H J 7 \| 52 51 s 2H \| 41 40 m 1H \| 39 38 s 2H \| 38 37 m 1H \| 37 37 s 2H \| 37 36 ddd 1H J 60 78 121 \| 36 35 ddd 1H J 61 81 121 \| 33 32 dddd 1H J 7 31 38 71 \| 24 23 dddd 1H J 41 60 78 140 \| 21 20 dddd 1H J 41 62 79 140	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(N[S@](=O)C(C)(C)C)c1ccc(OCC(F)(F)F)nc1	ir: 1 2 2 7 2 1 1 3 1 1 3 0 1 2 1 1 1 1 1 0 1 1 1 0 0 1 2 5 1 1 1 1 1 3 3 16 9 7 4 9 5 10 4 4 3 2 6 10 13 16 6 2 4 29 24 12 2 1 1 2 4 4 1 2 1 2 1 9 32 4 12 3 3 5 5 2 1 1 2 1 0 0 1 1 1 0 1 2 2 3 4 4 4 1 1 3 6 3 3 2 4 10 13 8 16 34 33 13 11 16 26 3 0 1 2 2 3 2 4 3 5 6 4 3 2 14 18 17 10 5 1 2 2 1 2 2 2 7 12 2 1 1 1 1 1 1 0 1 4 13 4 1 2 2 1 1 1 1 1 2 18 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 0 0 0 1 1 0 0 1 1 1 1 2 1 1 1 3 1 0 1 1 2 1 3 5 3 4 3 5 7 4 1 1 1 1 1 1 0 0 1 1 0 0 1 2 0 0 13 100 86 8 2 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; 1HNMR: 82 81 m 1H \| 76 76 m 1H \| 68 68 d 1H J 79 \| 50 49 q 2H J 130 \| 46 45 m 1H \| 26 26 d 1H J 92 \| 21 20 dqd 1H J 52 65 130 \| 19 18 dqd 1H J 51 65 130 \| 12 12 s 8H \| 9 8 td 3H J 15 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c(S(=O)(=O)Cc3ccoc3)c(C(=O)OCC3CCCO3)cnc12	ir: 6 6 8 8 26 33 1 16 10 4 7 9 23 80 25 16 9 8 10 21 11 6 7 6 4 12 5 4 3 1 1 1 2 8 2 13 4 8 5 8 5 3 5 5 15 89 58 13 9 5 4 3 3 1 3 6 5 3 4 9 13 5 10 13 3 8 29 25 12 17 22 5 2 3 8 3 11 3 3 6 2 39 20 71 25 25 40 6 17 42 100 20 30 8 19 25 6 4 69 74 9 12 6 3 11 5 4 5 3 11 17 27 18 11 10 5 4 4 15 13 2 8 5 10 8 4 6 8 6 2 3 2 2 3 2 2 1 3 3 25 7 15 35 46 8 10 6 29 17 75 10 2 2 5 2 6 5 29 10 7 11 3 1 0 2 4 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 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 2 1 1 1 1 1 2 2 1 3 2 8 14 9 12 7 4 3 7 23 29 15 9 16 47 26 24 12 15 9 5 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 91 s 1H \| 82 82 dd 1H J 11 88 \| 76 75 dq 1H J 8 16 \| 75 74 t 1H J 15 \| 74 73 t 1H J 88 \| 72 72 dd 1H J 12 89 \| 65 65 p 1H J 9 \| 47 46 d 2H J 9 \| 45 44 dd 1H J 31 119 \| 43 42 dd 1H J 32 118 \| 41 41 tt 1H J 31 42 \| 39 39 s 2H \| 38 38 m 1H \| 37 36 m 1H \| 22 21 m 1H \| 21 20 dtdd 1H J 32 50 60 152 \| 19 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)n1cc(Br)cn1	ir: 23 11 10 10 25 7 31 18 17 11 0 41 57 7 6 4 7 67 23 5 4 2 2 2 2 1 1 1 2 8 4 5 11 2 1 2 1 0 0 2 1 0 1 2 2 1 1 2 1 0 1 15 2 1 5 4 2 0 2 2 3 15 7 4 22 69 42 14 14 7 5 9 25 15 34 6 5 1 2 3 1 0 2 1 0 0 2 3 7 17 85 15 32 20 12 22 8 3 6 3 1 1 2 1 5 2 3 2 1 4 6 6 7 4 7 5 14 18 24 17 39 33 100 27 4 4 6 4 1 3 2 4 3 13 15 3 1 2 2 2 2 7 5 13 50 7 7 9 13 29 6 3 6 5 9 11 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 4 2 1 1 2 2 2 1 2 22 23 12 5 16 21 13 5 3 33 8 30 82 12 36 40 7 2 2 1 2 0 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 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; 1HNMR: 81 81 d 1H J 9 \| 80 80 s 1H \| 52 52 m 1H \| 37 37 s 3H \| 17 17 d 3H J 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(F)c(F)c(COC(=O)[C@@H]2[C@H](/C=C(\Cl)C(F)(F)F)C2(C)C)c(F)c1F	ir: 10 7 17 19 17 8 2 6 4 3 4 13 14 5 4 11 1 4 48 5 4 4 4 8 8 11 4 3 4 4 4 3 3 3 3 6 4 10 3 4 4 6 8 10 9 6 9 3 3 3 3 3 3 3 5 3 15 5 4 5 3 13 10 5 8 8 4 7 42 23 11 13 7 5 3 3 5 3 3 3 6 8 9 3 4 4 3 3 5 29 34 8 4 3 6 8 7 11 13 43 29 7 11 4 6 20 10 32 16 10 18 21 100 24 0 5 6 7 11 11 6 7 6 7 7 15 12 5 7 6 7 6 4 6 7 7 4 4 5 14 98 38 12 6 8 11 11 6 4 3 3 5 10 30 11 4 3 3 3 3 3 3 4 4 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 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 2 3 3 2 3 5 7 4 3 4 3 5 5 5 5 5 6 13 11 17 27 3 78 29 7 6 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 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 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: 60 59 dp 1H J 17 51 \| 55 54 m 2H \| 28 27 t 3H J 48 \| 24 23 dd 1H J 50 81 \| 22 21 dd 1H J 18 82 \| 11 11 s 3H \| 11 11 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1cc(C=O)nn1-c1ccccc1	ir: 4 2 0 2 4 4 4 6 4 2 1 3 3 3 15 5 3 2 1 2 2 8 3 2 3 1 1 3 3 1 3 7 8 6 5 17 8 4 4 6 6 3 34 51 5 4 2 3 2 1 2 3 2 1 2 3 3 2 5 6 2 1 3 3 2 1 3 4 9 9 12 5 3 2 3 6 14 8 8 3 2 1 3 4 2 1 2 2 1 2 3 2 1 1 3 3 2 1 3 3 1 2 7 45 30 16 8 4 3 4 3 3 1 2 3 2 3 4 5 3 1 3 4 2 1 3 3 2 2 6 12 13 30 21 13 14 6 3 3 3 1 3 2 8 8 4 2 2 2 2 3 4 2 4 5 3 2 2 3 3 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 3 3 3 3 2 2 4 2 2 2 2 2 3 4 7 8 8 14 100 27 21 12 7 3 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 99 98 s 1H \| 75 74 ddd 2H J 9 59 80 \| 74 74 m 3H \| 67 67 q 1H J 8 \| 28 27 td 2H J 9 65 \| 18 17 h 2H J 68 \| 10 9 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c2ccccc2c2cc3c4ccc(-c5ccccc5)cc4c4ccccc4c3cc21	ir: 0 1 1 4 0 1 0 0 0 0 1 1 0 0 0 0 1 0 0 1 0 1 0 0 0 0 2 0 1 1 4 5 5 4 3 1 1 3 2 3 13 3 50 16 2 6 8 7 3 1 1 1 1 1 0 2 8 2 0 1 2 2 2 3 6 4 1 3 7 4 4 0 2 2 7 4 1 7 11 6 2 0 0 1 3 1 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 2 0 0 1 2 1 4 2 1 1 1 2 2 3 1 2 1 1 5 4 1 0 12 2 14 84 11 1 1 3 18 12 10 3 1 2 1 8 1 2 5 2 1 0 0 1 3 6 2 2 1 1 1 0 0 0 0 0 0 0 1 0 0 1 1 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 0 2 8 5 10 14 100 32 5 5 1 31 17 2 2 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H \| 88 87 m 3H \| 87 86 s 1H \| 83 82 dd 1H J 13 72 \| 82 81 m 1H \| 81 81 dd 1H J 25 81 \| 79 79 dd 1H J 13 64 \| 77 76 td 1H J 13 76 \| 76 76 ddt 3H J 20 38 78 \| 75 74 td 3H J 13 76 \| 74 73 m 1H \| 73 73 ddd 1H J 12 65 75 \| 45 44 q 2H J 51 \| 14 13 t 3H J 52	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)=NNCCc1ccccc1	ir: 8 3 1 7 7 8 5 13 6 9 2 6 7 12 5 6 11 11 7 7 10 10 12 10 9 6 8 13 4 9 16 4 8 5 3 4 4 2 5 23 13 4 6 6 2 0 2 5 6 1 1 3 2 0 1 2 2 0 2 2 1 0 3 5 3 2 7 6 5 8 3 6 2 6 5 5 1 2 5 3 3 2 5 16 11 2 2 2 6 4 3 4 3 8 3 3 1 9 6 6 12 11 6 3 2 2 3 2 1 2 4 4 8 9 12 6 8 16 9 4 5 8 13 10 1 5 11 15 4 9 15 54 27 43 34 26 7 4 2 1 1 3 11 8 4 11 8 12 2 3 3 4 3 4 2 4 10 9 2 3 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 0 2 2 1 0 1 2 1 0 1 2 1 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 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 2 2 3 2 1 1 4 5 0 2 4 3 1 4 19 19 9 11 97 26 13 6 2 3 5 2 3 2 1 2 2 3 1 3 4 3 3 6 9 9 9 18 74 100 33 24 10 3 6 4 2 2 3 5 2 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0; 1HNMR: 73 73 m 2H \| 73 71 m 4H \| 43 42 q 2H J 71 \| 32 32 q 2H J 56 \| 29 28 tt 2H J 9 57 \| 21 21 s 2H \| 14 13 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1O	ir: 1 2 2 4 1 13 9 18 10 8 3 1 1 1 2 1 9 2 2 4 5 6 2 2 7 6 21 13 5 3 3 2 2 10 5 9 43 5 5 3 3 4 2 1 2 1 1 3 3 0 46 2 3 3 5 0 1 2 1 1 1 2 8 1 1 1 1 2 2 8 1 1 2 1 1 1 1 3 3 4 15 2 4 3 9 3 2 1 1 1 1 1 2 7 2 2 2 3 1 5 1 1 1 1 2 2 11 38 3 2 1 1 1 1 1 1 1 2 1 2 2 3 1 1 1 1 2 2 1 1 0 1 1 1 3 2 2 1 0 7 38 37 45 12 6 5 9 22 31 17 10 3 2 3 10 4 7 25 1 1 1 9 1 4 1 2 1 0 15 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 5 7 36 5 2 1 2 1 1 4 100 20 2 1 1 1 1 1 1 2 2 2 2 4 5 7 26 28 7 7 9 3 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 91 90 s 1H \| 86 86 s 1H \| 86 86 s 2H \| 84 83 s 1H \| 80 80 m 2H \| 76 76 s 1H \| 75 75 m 1H \| 75 74 m 3H \| 71 71 s 1H \| 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)NC(C(C)=O)C(C)(C)C	ir: 11 9 5 3 3 4 2 6 2 3 3 4 2 3 1 1 3 2 3 1 1 4 10 21 18 6 9 17 30 14 40 33 13 13 6 3 2 1 1 1 1 1 1 1 1 1 1 1 2 4 2 2 2 3 3 1 1 3 1 1 3 8 6 12 12 7 5 5 4 8 3 4 4 9 6 2 2 2 4 3 2 1 0 0 1 0 0 1 1 2 1 1 1 2 3 2 2 1 2 1 0 1 1 1 2 3 3 1 2 1 1 2 3 8 15 10 13 15 14 9 6 9 5 7 4 6 17 20 14 7 18 20 3 3 2 2 4 3 2 6 39 20 16 14 100 66 9 4 19 48 11 1 1 2 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 5 5 4 1 1 2 2 2 2 3 2 5 5 6 19 29 9 4 5 3 2 1 1 1 1 1 2 2 1 1 1 0 0 1 1 1 1 3 1 2 3 18 76 30 30 11 4 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 55 55 d 1H J 101 \| 44 43 dtt 1H J 15 29 101 \| 42 41 q 2H J 63 \| 22 22 d 3H J 15 \| 12 12 t 3H J 63 \| 10 10 d 9H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C(=O)N(CCCC)CCCC	ir: 0 8 14 12 6 14 21 15 4 12 14 6 3 8 13 5 1 9 11 4 2 9 10 4 2 8 9 3 3 9 9 3 4 11 12 4 9 28 47 40 21 25 32 8 5 14 10 2 6 13 16 29 12 23 8 1 7 16 6 2 10 13 9 2 8 14 14 3 12 15 8 3 13 14 8 11 27 14 5 3 9 9 4 3 10 12 16 15 10 9 6 5 10 9 8 8 16 14 10 8 12 11 8 9 28 16 16 13 23 19 11 13 18 9 7 15 17 16 18 21 29 12 4 8 13 6 5 10 14 14 25 39 49 31 26 20 38 20 33 19 16 5 6 9 8 6 6 12 36 100 27 13 8 3 5 10 11 8 5 10 7 2 5 10 6 1 5 11 6 1 6 10 5 1 6 10 5 1 6 10 5 2 7 9 4 2 7 9 4 2 7 9 4 3 7 8 4 3 8 8 3 3 8 8 3 4 8 7 3 4 9 7 2 4 9 7 2 5 9 6 2 5 10 6 1 5 10 6 1 6 10 5 2 6 10 5 2 6 9 5 2 7 9 4 3 7 8 4 3 7 8 4 3 7 8 4 4 8 8 4 4 8 7 3 4 9 8 3 5 9 12 5 8 12 21 17 9 13 9 6 28 27 19 28 35 19 7 2 8 11 9 32 37 12 6 2 7 10 6 3 7 9 5 3 7 9 5 4 7 8 4 3 7 8 4 4 8 7 3 4 8 7 3 4 8 7 3 5 8 6 3 5 9 6 2 5 9 6 2 5 9 6 2 6 9 5 2 6 9 5 2 6 9 5 3 6 8 5 3 7 8 4 3 7 8 4 4 7 7 4 4 7 7 4 4 8 7 3 4 8 7 3 5 8 6 3 5 8 6 3 5 8 6 3 5 9 6 2 5 9; 1HNMR: 55 54 dq 1H J 9 16 \| 54 54 p 1H J 15 \| 33 32 t 4H J 67 \| 19 19 dd 3H J 7 15 \| 16 15 p 4H J 68 \| 14 13 h 4H J 73 \| 10 9 t 6H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1cccc(COCCl)c1	ir: 3 1 1 2 0 3 1 1 1 1 1 0 0 1 1 1 2 1 2 1 0 1 1 1 1 1 1 1 2 5 8 52 2 5 2 1 1 1 1 1 3 6 3 3 5 0 37 2 1 4 5 1 1 3 1 0 1 4 2 1 3 27 6 4 3 6 6 17 8 2 17 2 4 3 1 1 1 1 3 1 2 4 1 1 1 1 1 1 3 4 17 13 3 3 0 2 5 3 24 41 26 2 1 1 2 1 1 1 3 2 1 2 6 42 2 3 1 2 2 2 2 4 5 5 4 6 5 17 12 8 4 2 1 1 1 1 1 1 2 3 32 13 5 2 2 2 1 1 1 1 0 1 2 5 2 3 1 1 1 1 1 3 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 0 5 9 16 4 45 100 48 6 5 1 1 2 1 1 3 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 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 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 td 1H J 10 20 \| 75 75 ddd 1H J 13 23 108 \| 74 74 dd 1H J 73 107 \| 72 71 ddq 1H J 10 22 73 \| 53 53 s 2H \| 46 45 t 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)S(=O)(=O)N[C@@H]1CC[C@@H](CN)CC1	ir: 2 2 0 3 4 4 1 1 3 3 5 3 1 1 1 2 3 1 1 0 1 1 1 1 1 0 1 1 2 1 1 2 1 1 1 1 1 1 1 6 6 2 3 4 4 5 5 12 8 3 3 1 3 3 6 5 3 7 16 12 7 3 1 1 3 2 1 3 18 16 6 13 13 9 3 5 4 10 5 2 1 2 5 7 2 2 3 7 1 1 1 1 1 1 1 2 1 2 2 1 2 4 13 11 9 9 5 7 12 7 4 4 3 3 3 4 3 4 5 2 1 3 3 2 2 6 2 5 4 5 7 6 5 16 4 2 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 3 2 2 4 4 1 1 1 1 1 1 1 1 0 1 1 1 1 3 3 6 10 21 7 1 2 2 3 17 100 39 0 2 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 49 49 d 1H J 108 \| 31 29 m 2H \| 27 27 dtd 1H J 51 63 115 \| 26 25 dtd 1H J 51 63 114 \| 18 17 dddd 2H J 42 59 84 126 \| 17 16 m 2H \| 16 13 m 8H \| 13 12 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1cc(CCc2ccccc2)cc(OC(C)=O)c1	ir: 2 2 2 2 1 2 2 2 2 2 2 3 5 6 3 3 3 3 4 2 2 2 2 2 2 3 3 2 5 4 7 6 6 3 2 2 2 3 3 3 9 4 3 3 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 3 4 2 3 5 10 14 4 9 7 3 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 14 2 2 3 3 6 18 3 5 3 3 2 2 2 2 2 2 2 3 3 3 8 3 2 2 2 3 3 3 6 3 3 3 8 11 13 10 3 6 32 5 3 2 3 3 3 36 4 2 1 3 3 2 6 23 26 12 9 2 2 3 2 2 2 2 2 2 2 2 2 2 9 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 5 2 3 2 3 3 3 2 3 3 3 2 4 8 14 7 12 100 19 19 5 0 2 4 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 73 72 m 2H \| 73 72 s 1H \| 72 71 m 2H \| 68 68 t 1H J 24 \| 67 66 dt 2H J 9 24 \| 29 28 m 4H \| 23 23 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](OC(C)=O)[C@@H]1N=[N+]=[N-]	ir: 16 7 4 7 12 18 23 10 8 5 2 5 8 4 7 13 11 12 11 67 47 12 21 15 10 20 18 18 29 13 21 49 34 38 16 52 22 19 9 18 54 8 9 37 8 2 5 12 7 0 4 9 6 2 4 9 5 0 5 9 5 2 7 9 15 5 5 8 11 11 22 14 8 6 10 18 12 4 18 23 21 9 9 16 13 8 5 5 3 2 6 5 5 3 16 9 2 6 9 40 36 37 28 9 20 25 27 33 12 8 8 7 4 6 7 5 4 8 10 11 11 42 100 39 34 14 18 5 8 6 9 3 3 5 5 4 7 5 5 4 5 13 29 18 81 71 18 11 16 10 9 7 23 17 52 36 31 6 4 2 3 5 3 2 3 5 3 1 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 3 3 5 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 2 4 4 2 3 6 6 4 4 5 5 5 5 7 7 5 8 15 15 14 18 27 16 8 9 6 5 3 6 6 4 3 5 6 3 2 3 5 3 2 4 4 3 4 7 10 25 20 27 23 14 17 13 8 4 3 6 4 2 3 5 4 2 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 3 5 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1; 1HNMR: 87 86 s 1H \| 85 84 d 1H J 7 \| 65 64 m 2H \| 49 49 ddd 1H J 8 53 62 \| 48 47 dt 1H J 11 79 \| 47 46 ddd 1H J 7 60 79 \| 28 27 d 3H J 49 \| 21 20 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)c(C#N)n1	ir: 5 7 2 5 1 1 1 1 0 1 0 1 1 1 1 0 0 0 1 0 1 1 6 2 3 3 11 3 1 1 0 2 2 8 4 4 3 2 1 1 3 2 10 6 8 11 23 25 50 5 5 4 0 1 2 3 1 1 2 1 1 0 1 3 2 2 1 1 3 3 1 1 2 1 1 3 3 2 2 2 0 1 0 0 1 2 1 7 1 1 0 0 1 1 1 1 2 8 11 1 0 0 1 1 8 1 2 1 2 7 4 1 1 1 2 1 1 1 1 2 4 3 2 3 3 4 1 0 2 3 1 2 1 3 4 11 5 1 1 1 15 13 10 11 100 20 28 6 3 1 7 4 28 13 2 1 1 1 2 7 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 5 6 7 16 8 3 3 7 4 1 1 1 1 0 1 1 1 1 1 1 1 1 3 3 1 3 9 14 10 8 11 4 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1H \| 83 83 s 1H \| 82 81 d 1H J 73 \| 77 77 m 2H \| 75 74 m 2H \| 74 74 m 2H \| 69 69 d 1H J 73 \| 43 43 q 2H J 67 \| 34 33 m 4H \| 14 14 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)OC(C)(C)C)C1CCC(Oc2ncnc3sc4c(c23)C(CCO)CC4)CC1	ir: 2 2 8 8 11 7 10 11 5 2 16 12 7 6 10 9 3 3 3 2 3 6 2 2 1 1 1 3 1 2 3 2 1 1 1 2 2 2 4 89 3 8 12 4 2 2 2 1 1 2 1 0 2 2 5 0 2 3 3 5 3 7 2 3 2 2 3 1 1 1 2 2 2 3 3 1 2 2 2 1 1 1 1 1 2 2 2 1 2 16 13 4 4 3 2 34 24 7 2 2 4 7 2 2 4 2 6 4 5 2 8 5 7 4 4 2 0 11 3 7 6 6 2 5 3 4 5 14 5 7 53 5 9 6 4 2 7 2 2 2 5 2 0 1 1 0 0 2 5 3 11 28 9 3 3 9 100 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 1 0 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 2 2 2 1 2 1 3 2 2 4 5 4 7 12 14 6 1 1 1 1 1 2 7 77 8 2 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 85 s 1H \| 49 48 p 1H J 57 \| 38 37 dq 1H J 57 115 \| 37 36 dq 1H J 57 116 \| 32 31 pq 1H J 15 66 \| 30 30 t 1H J 59 \| 30 29 ddd 1H J 51 70 145 \| 29 28 m 5H \| 22 20 m 4H \| 20 17 m 7H \| 17 16 dddd 2H J 59 66 84 124 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCNC(=O)C(F)(F)F	ir: 1 11 17 9 3 10 16 10 2 9 14 6 5 14 13 6 2 11 14 8 3 10 12 5 4 11 11 5 6 11 12 6 9 16 20 55 87 100 29 14 16 31 33 5 11 15 12 3 8 17 11 2 8 15 8 2 12 27 12 0 8 16 14 5 9 15 10 8 14 17 7 2 10 13 5 4 10 19 17 8 20 13 4 4 13 14 17 13 19 12 7 14 19 15 15 8 17 14 96 31 20 9 2 6 14 9 1 7 15 9 6 21 22 14 2 10 16 8 3 12 19 15 5 15 16 7 4 10 13 6 4 12 14 5 3 10 12 5 4 11 12 10 13 31 18 32 34 19 14 4 5 13 10 3 6 12 9 2 6 13 8 1 6 13 8 1 6 13 7 1 7 14 7 1 7 13 6 1 8 13 6 2 8 12 6 2 9 12 5 3 9 11 5 3 10 11 4 4 10 10 4 4 11 10 3 5 11 9 3 5 11 9 3 5 12 8 2 6 12 8 2 6 12 8 1 7 13 7 1 7 13 7 2 8 13 6 2 8 12 6 3 8 12 6 3 9 11 5 3 9 11 5 4 10 10 4 4 10 10 4 5 11 9 4 5 11 9 3 6 11 9 3 6 12 10 4 7 12 8 3 7 13 10 5 10 15 8 2 8 13 7 3 8 12 6 3 9 12 7 5 10 13 6 5 9 11 6 5 10 13 10 25 37 27 14 7 11 10 5 5 10 9 4 5 11 9 4 6 11 8 3 6 11 8 3 7 12 8 2 7 12 7 2 7 12 7 3 7 11 6 3 8 11 6 3 8 11 6 4 8 10 5 4 9 10 5 4 9 10 5 5 9 9 5 5 10 9 4 5 10 9 4 6 10 8 4 6 11 8 3 6 11 8 3 7 11 7 3 7 11; 1HNMR: 70 70 tq 1H J 18 36 \| 34 34 td 2H J 35 51 \| 26 26 t 2H J 52 \| 23 22 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN=C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21	ir: 2 2 2 2 4 2 1 2 4 4 1 9 4 3 3 2 3 3 2 3 3 3 2 3 6 2 2 2 2 2 1 3 5 2 2 3 6 3 2 2 5 3 49 22 2 1 4 5 3 1 2 3 2 0 54 4 4 1 2 2 2 2 4 4 3 2 4 15 11 3 2 3 3 4 16 7 2 1 2 5 6 4 2 4 2 1 2 2 2 4 13 9 5 7 2 3 3 5 2 3 3 5 3 2 1 2 2 2 1 2 2 2 1 3 3 2 2 4 5 6 4 10 7 18 9 7 5 5 13 4 3 2 2 2 2 2 3 11 15 11 2 2 2 2 3 2 4 15 32 6 3 16 58 6 2 5 2 2 2 2 6 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 2 2 2 1 3 4 3 1 2 3 3 2 3 6 11 6 8 100 34 9 7 1 4 3 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 77 76 m 1H \| 76 75 d 1H J 82 \| 75 74 dd 1H J 8 21 \| 74 73 m 3H \| 73 72 m 1H \| 41 40 m 1H \| 36 35 s 2H \| 30 29 ddd 1H J 53 81 136 \| 29 28 ddd 1H J 55 82 138 \| 23 22 ddt 1H J 55 82 128 \| 21 20 ddt 1H J 55 81 128	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCc1cc2c(cc1Br)C(C)(C)CCC2(C)C	ir: 1 3 7 1 1 1 2 3 1 1 1 0 1 1 2 8 1 2 1 1 0 0 1 0 1 1 1 0 1 1 1 0 1 2 1 1 2 1 1 0 10 4 1 6 1 1 1 2 0 1 1 0 1 1 1 1 3 4 2 2 1 3 7 10 4 7 7 22 34 38 4 7 7 3 1 3 1 1 2 1 1 1 0 2 1 1 0 1 3 2 3 3 2 1 1 2 5 4 7 5 4 4 1 2 5 2 12 7 7 5 2 4 50 16 5 3 3 11 6 9 12 8 8 5 7 6 5 2 3 4 5 13 3 2 0 1 1 1 1 2 4 16 2 1 0 1 1 2 1 1 1 1 1 3 10 8 5 1 2 1 1 1 1 1 1 0 0 0 1 1 1 1 0 0 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 1 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 1 0 1 0 1 0 0 1 1 1 1 1 0 0 1 0 1 0 0 1 1 1 1 2 5 4 4 6 4 7 6 3 3 3 5 6 5 10 30 27 9 97 100 8 6 2 2 1 1 1 1 1 1 1 0 0 0 1 1 1 0 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; 1HNMR: 74 73 s 1H \| 69 69 t 1H J 8 \| 28 27 td 2H J 8 78 \| 20 19 m 4H \| 16 15 m 2H \| 14 13 m 5H \| 13 13 s 13H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1ccccc1Br)C1CC1	ir: 12 6 1 7 12 8 5 25 12 6 4 11 17 9 11 19 12 4 3 8 10 4 2 9 10 4 4 9 11 7 20 12 12 0 12 29 12 4 6 25 13 10 32 43 7 4 6 10 7 9 10 14 7 1 6 12 7 1 6 11 7 2 7 12 15 16 23 14 9 3 8 11 5 2 9 12 5 4 12 11 4 4 14 23 51 64 27 13 7 6 9 9 5 5 9 8 4 5 10 12 5 6 10 7 3 6 10 7 2 6 12 28 1 7 10 7 2 6 10 6 3 7 10 6 3 7 9 6 3 9 10 6 8 10 10 25 85 17 25 8 5 8 8 5 4 8 8 11 100 17 10 10 9 12 8 5 7 11 8 4 6 10 7 3 6 10 7 2 6 10 6 2 6 10 6 2 7 10 6 3 7 10 6 3 7 9 5 3 7 9 5 4 8 9 5 4 8 8 4 4 8 8 4 5 8 8 4 5 9 8 4 5 9 7 3 5 9 7 3 6 10 7 3 6 10 6 3 6 10 6 3 6 10 6 3 7 9 6 3 7 9 5 3 7 9 5 4 7 8 5 4 8 8 5 4 8 8 4 5 8 8 4 5 8 7 4 5 9 7 4 5 9 7 4 6 9 7 4 6 9 10 6 11 15 13 60 56 52 16 9 11 15 7 4 8 11 7 4 8 9 6 4 8 9 9 4 8 8 5 5 8 8 5 5 8 8 4 5 8 8 4 5 8 7 4 5 9 7 4 5 9 7 3 6 9 7 3 6 9 6 3 6 9 6 3 6 9 6 3 7 9 6 4 7 9 5 4 7 8 5 4 7 8 5 4 8 8 5 5 8 8 5 5 8 7 4 5 8 7 4 5 8 7 4 5 8 7 4 6 9 7 4 6 9 6 4 6 9 6 3; 1HNMR: 79 78 dd 1H J 14 84 \| 77 77 dd 1H J 13 80 \| 76 75 ddd 1H J 14 72 86 \| 74 74 ddd 1H J 14 71 84 \| 26 25 p 1H J 76 \| 18 17 m 2H \| 15 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cnc2c(Cl)cc(NCc3cccc[n+]3[O-])cc2c1Nc1ccc(F)c(Cl)c1	ir: 10 9 4 9 14 16 18 36 38 14 15 6 8 11 14 10 3 8 7 4 4 15 18 15 19 18 10 15 39 34 8 3 4 2 4 4 4 3 4 7 2 2 3 4 3 1 3 4 5 3 11 6 55 3 17 36 9 4 4 3 7 5 3 3 3 12 28 34 8 10 5 3 2 2 3 3 2 1 2 2 2 2 4 3 4 2 4 5 4 6 4 2 3 3 15 5 4 3 2 2 1 3 19 6 4 10 7 35 15 33 3 3 4 15 6 4 3 6 7 5 3 5 4 4 5 3 4 2 3 4 6 4 3 2 5 9 5 12 6 9 8 18 9 14 20 67 13 19 61 11 7 5 74 14 21 7 77 5 2 3 10 3 5 55 5 2 12 2 2 2 2 1 1 2 2 2 1 2 2 2 1 1 15 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 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 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 2 2 2 2 2 2 3 3 2 2 9 14 13 32 34 47 20 6 4 3 4 3 4 4 3 2 4 2 4 4 3 7 5 8 10 8 25 43 100 69 32 38 17 7 4 7 4 3 2 2 3 2 2 3 2 1 1 3 2 1 2 3 2 1 2 2 1 1 2 2 2 1 2 2 1 1 1 2 2 1 1 2 1 1 1 2 2 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; 1HNMR: 87 87 s 1H \| 79 79 s 1H \| 74 74 t 1H J 53 \| 73 72 m 2H \| 72 71 m 3H \| 47 47 d 2H J 53 \| 42 42 dd 1H J 16 59 \| 34 33 dd 1H J 15 56 \| 33 32 td 1H J 15 56 \| 28 27 td 1H J 16 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(O)(c1ccc(Br)cc1)C(F)(F)F	ir: 10 6 0 12 8 11 1 5 7 5 5 8 4 7 2 3 2 13 6 2 2 1 1 2 1 2 2 2 2 2 1 2 2 2 3 2 2 1 1 2 1 1 1 2 1 1 2 2 6 7 16 5 7 35 36 36 26 20 4 2 2 8 8 16 5 4 14 7 4 12 6 1 4 4 3 2 4 4 4 5 6 12 17 16 31 7 19 38 100 77 21 23 4 8 19 33 24 22 42 25 8 4 6 3 2 2 4 2 1 1 5 3 1 2 3 3 4 9 12 3 2 4 9 7 2 2 2 4 18 13 4 2 5 11 3 2 1 1 2 1 1 2 1 1 2 2 4 46 36 10 6 2 2 4 6 3 2 2 2 1 1 2 3 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 2 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 2 3 4 3 2 2 3 3 2 3 4 5 2 9 25 16 7 26 33 30 16 7 7 5 2 14 61 13 6 3 1 4 3 2 2 2 2 2 2 2 2 3 3 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 m 2H \| 73 73 m 2H \| 35 34 q 1H J 33 \| 11 11 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC(Cc1ccccc1)(Cc1ccccc1)C(=O)O	ir: 1 1 1 1 0 1 1 1 0 1 1 3 3 1 1 0 2 1 1 1 1 4 4 17 2 2 0 1 1 1 1 2 3 2 5 7 2 2 2 5 2 6 1 2 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 1 1 2 2 3 22 3 1 1 0 1 0 1 1 1 1 3 1 1 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 4 2 1 1 2 1 0 1 1 1 1 1 1 0 1 1 1 0 8 1 0 0 1 2 41 11 2 5 1 2 3 0 6 14 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 1 1 1 1 0 0 1 3 6 7 3 11 8 1 1 1 1 0 1 1 3 100 25 2 1 1 0 0 0 0 0 0 0 0 0 6 25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 74 73 m 5H \| 73 72 m 7H \| 63 63 s 1H \| 32 32 dt 2H J 8 141 \| 30 29 dt 2H J 9 141 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NOCC(O)CO)c1cc2scnc2c(F)c1Nc1ccc(I)cc1F	ir: 9 2 4 4 6 10 1 3 5 4 1 2 3 2 3 9 2 2 5 7 15 8 5 4 23 17 4 12 13 7 7 11 10 2 3 8 10 4 2 1 4 3 2 6 3 6 6 8 3 3 2 1 2 26 3 8 4 3 2 1 1 1 2 1 1 3 2 2 2 2 1 1 1 4 1 1 3 2 1 2 11 2 3 2 3 10 29 13 11 4 6 3 10 4 6 5 18 13 18 4 3 3 2 1 1 3 3 2 15 2 1 1 1 1 1 3 2 1 1 1 1 2 2 1 1 1 1 2 13 2 2 2 1 1 9 1 1 10 1 1 7 1 1 1 1 10 5 100 12 22 2 3 2 1 2 0 3 16 1 3 2 4 6 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 4 5 7 25 7 4 4 20 91 35 18 35 9 13 2 1 2 1 1 1 1 3 5 4 2 2 15 50 27 12 4 3 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 94 93 t 1H J 40 \| 92 92 s 1H \| 78 78 s 1H \| 75 74 m 2H \| 71 70 dd 1H J 47 71 \| 40 39 m 2H \| 38 36 m 4H \| 36 35 m 1H \| 35 35 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNN=Cc1ccc(Cl)cc1Cl	ir: 4 4 6 10 8 8 12 18 37 74 48 100 78 23 30 38 72 78 10 16 11 22 17 4 8 10 5 11 10 5 10 6 8 3 4 9 4 1 3 3 2 2 3 2 3 3 5 3 2 2 3 2 6 13 42 20 4 4 5 6 3 2 2 3 4 20 31 57 1 2 2 3 2 1 2 2 1 1 2 4 2 2 5 6 6 4 17 21 7 16 45 12 8 7 3 7 4 8 7 4 2 1 2 2 1 1 2 2 1 1 1 2 3 3 7 6 14 5 15 8 67 13 8 7 14 12 14 8 8 5 4 3 4 4 6 46 37 8 8 5 10 9 16 24 19 39 28 28 24 90 9 7 7 5 3 1 4 7 3 2 4 7 14 1 2 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 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 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 2 3 4 3 9 28 45 36 7 7 7 7 2 4 3 2 1 1 2 1 2 1 1 3 2 7 8 16 19 22 55 43 51 16 33 15 3 4 3 1 2 3 2 2 2 3 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 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; 1HNMR: 80 80 s 1H \| 78 78 d 1H J 84 \| 77 77 d 1H J 20 \| 75 75 dd 1H J 21 83 \| 55 55 q 1H J 56 \| 29 29 d 3H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)(C)NC(=O)c1cccc(C2CCCCC2)n1	ir: 3 1 1 1 1 3 2 1 1 1 1 2 2 1 1 1 1 1 0 1 1 0 1 2 1 1 0 1 2 0 1 1 2 0 1 1 6 1 2 3 2 3 6 40 100 13 7 2 2 2 1 1 1 1 1 1 1 0 0 1 1 0 1 3 4 2 1 0 1 0 0 0 0 0 1 1 1 3 2 1 0 1 4 3 3 5 2 1 0 0 0 1 1 1 1 1 0 0 1 0 0 1 2 1 1 1 1 2 0 2 2 8 10 2 2 3 3 4 5 6 3 3 2 1 2 2 2 3 3 5 2 2 1 6 6 7 8 13 3 1 0 4 7 8 18 27 18 3 1 1 1 5 3 1 0 2 8 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 1 1 0 2 1 0 0 1 1 1 1 1 1 1 1 2 4 5 6 4 25 12 4 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 0 1 8 22 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 dd 1H J 13 77 \| 78 78 t 1H J 78 \| 76 76 s 1H \| 73 73 dt 1H J 10 79 \| 37 37 s 2H \| 31 30 m 1H \| 21 20 m 2H \| 17 14 m 8H \| 17 16 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(OC(=O)NCc2ccccc2)cc1	ir: 6 6 15 11 15 6 6 8 14 5 5 2 4 3 4 4 1 3 1 2 2 3 1 2 3 6 9 28 9 4 2 1 3 2 2 1 2 3 3 10 9 2 2 1 1 2 1 2 1 1 2 2 2 4 11 20 30 4 2 2 1 1 1 2 1 0 2 2 1 9 1 1 1 1 1 1 2 3 4 2 2 1 1 1 1 1 1 2 10 5 3 5 2 1 1 1 1 3 1 2 2 1 1 1 0 1 9 1 1 1 1 1 8 1 0 1 2 2 1 2 3 3 4 1 3 2 1 1 1 1 0 1 1 2 2 5 2 1 1 2 5 5 23 7 11 11 7 6 7 14 4 5 7 8 8 2 30 13 8 3 2 0 1 17 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 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 0 0 0 1 0 0 1 1 1 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 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 14 53 6 5 2 1 2 1 2 1 1 2 2 0 1 1 1 0 2 10 15 5 2 2 7 7 17 22 6 3 17 45 100 11 4 0 2 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 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; 1HNMR: 74 72 m 3H \| 73 73 s 3H \| 71 70 m 2H \| 67 67 m 2H \| 64 64 t 1H J 60 \| 44 43 m 2H \| 42 41 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCNc1nc(Cl)nc(C)c1C	ir: 3 7 7 2 1 1 2 1 1 1 1 1 2 5 6 2 1 2 4 4 1 1 2 1 1 2 1 1 1 1 1 1 1 2 2 4 64 100 34 5 3 3 1 1 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 3 2 1 1 2 2 3 5 4 2 2 1 3 1 1 1 2 1 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 1 4 6 2 5 6 6 7 6 7 3 1 2 3 3 8 26 10 6 2 2 4 1 1 5 4 1 3 4 6 3 2 6 3 1 1 3 6 21 1 2 2 0 0 3 2 11 19 4 5 36 89 1 6 3 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 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 0 1 1 0 0 1 1 0 1 1 1 1 2 3 2 0 1 2 2 1 2 3 2 1 1 3 3 2 6 3 1 1 1 2 1 0 1 2 1 1 1 1 1 1 2 2 2 2 3 2 3 3 5 7 16 27 36 24 5 2 3 5 2 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 54 53 t 1H J 46 \| 35 34 td 2H J 46 60 \| 24 24 s 2H \| 21 20 s 2H \| 17 16 tt 2H J 60 69 \| 14 13 m 4H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Cl)c2=O)c1	ir: 1 3 17 6 2 1 2 2 5 9 1 2 1 1 1 1 1 1 1 2 3 3 4 2 4 1 1 1 1 1 2 1 2 1 1 1 3 1 1 0 1 1 1 1 3 1 3 100 7 1 2 3 4 20 11 2 3 4 2 2 6 3 6 12 22 66 21 14 4 4 8 2 2 2 23 12 12 3 1 1 13 1 1 1 0 1 1 2 1 1 2 2 2 1 4 4 3 1 1 1 4 9 1 2 3 1 1 1 1 1 1 0 1 3 6 4 11 3 2 3 1 1 1 1 2 9 2 1 1 1 1 5 1 2 2 2 2 1 1 5 3 3 8 12 5 44 1 1 2 16 5 12 8 3 2 0 22 0 4 30 5 6 1 2 1 0 0 1 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 0 0 1 1 1 2 1 1 6 3 5 5 28 49 78 8 3 2 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 d 1H J 21 \| 78 77 dd 1H J 22 86 \| 74 73 m 2H \| 69 68 m 2H \| 62 62 q 1H J 14 \| 53 53 dd 2H J 9 35 \| 39 39 s 2H \| 25 24 d 3H J 13 \| 23 23 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1nc2cnc3ccccc3c2n1C	ir: 52 28 0 28 63 41 18 56 51 21 4 30 46 21 8 34 48 19 16 45 63 50 27 42 45 15 12 37 38 12 14 54 37 18 17 44 37 9 16 42 33 10 76 67 95 80 24 50 37 16 30 50 27 6 26 71 33 22 25 48 26 16 34 59 26 5 29 46 21 7 31 55 33 19 48 56 32 12 34 38 15 13 34 37 25 18 46 40 14 20 54 76 15 15 41 34 33 27 47 35 13 21 42 33 8 24 48 31 4 31 52 32 18 27 47 26 7 30 59 36 24 36 54 62 30 42 51 38 12 31 41 23 16 46 47 37 47 55 95 81 42 61 40 14 19 49 45 24 40 69 59 36 43 52 32 16 33 45 33 23 28 51 28 6 22 42 37 6 24 44 24 3 24 43 23 5 26 42 21 7 27 40 20 8 28 39 19 10 30 37 17 11 31 36 16 13 32 34 15 14 34 33 13 15 35 31 12 17 36 30 11 18 37 29 10 19 39 27 8 21 40 26 7 22 41 25 6 23 42 23 6 25 41 22 8 26 40 21 9 27 38 20 10 29 37 18 12 30 35 17 13 31 34 16 14 32 33 15 16 33 32 14 17 35 30 13 19 37 31 13 20 39 28 11 21 38 27 12 23 41 32 16 36 44 46 35 75 87 100 32 60 64 28 11 28 39 21 12 28 36 20 13 29 35 18 14 30 34 17 14 31 33 16 16 32 31 15 17 33 30 14 18 34 29 13 19 35 28 12 20 36 27 11 21 37 26 10 22 38 25 9 23 39 23 9 24 37 22 10 25 36 21 12 27 35 20 13 28 34 19 14 28 33 18 15 29 32 17 16 30 31 17 17 31 30 16 18 32 29 15 19 33 28 14 20 34 27 13 21 35 26 12 22 36 25 11 23 36 24 11; 1HNMR: 90 90 s 1H \| 83 83 dd 1H J 15 77 \| 81 81 dd 1H J 16 81 \| 77 77 ddd 1H J 13 69 81 \| 77 76 ddd 1H J 13 69 82 \| 38 38 s 3H \| 33 32 p 1H J 61 \| 13 13 d 6H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(CNCc2cccc(-c3ccc(Cl)cc3)c2)cc1	ir: 0 1 4 2 1 1 2 3 2 2 3 4 1 2 1 1 1 3 1 1 1 1 1 2 1 1 1 1 1 1 6 9 5 3 2 4 1 1 1 1 2 2 1 6 18 4 11 9 12 9 42 31 4 2 34 77 33 9 5 23 19 10 2 2 6 6 1 0 5 8 4 1 3 1 3 1 1 1 1 1 1 1 1 1 1 7 6 2 1 1 2 4 3 2 2 4 5 7 3 3 2 2 0 1 2 1 0 1 3 1 0 2 11 38 55 31 7 5 6 8 3 2 6 7 11 4 3 2 7 14 14 18 12 5 2 1 1 1 2 5 78 5 2 1 4 6 6 23 7 4 2 9 16 2 2 2 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 3 1 1 1 2 1 2 2 4 7 11 32 72 28 10 6 4 2 3 2 1 1 1 1 2 1 1 2 5 6 17 39 60 100 8 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1; 1HNMR: 75 75 m 5H \| 75 75 d 1H J 11 \| 75 74 m 1H \| 73 73 dddd 3H J 10 20 44 88 \| 71 70 m 2H \| 40 40 dt 2H J 9 56 \| 40 39 dt 2H J 9 57 \| 29 28 p 1H J 57	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(Oc2c(O)ccc(Br)c2F)cc(C(=O)NC(C)(C)C)c1	ir: 14 28 18 6 8 7 2 2 1 1 1 1 1 1 1 1 2 1 1 1 0 1 2 4 3 7 5 5 3 6 4 3 2 2 2 1 2 2 2 10 26 36 16 2 3 2 2 2 1 1 2 1 2 21 4 2 1 1 1 1 2 2 5 1 2 1 3 12 7 5 1 1 1 1 1 0 1 1 0 1 1 2 0 0 5 21 14 15 3 2 1 1 1 1 1 1 3 2 6 1 0 1 1 1 1 1 1 1 3 1 1 2 2 1 1 0 0 1 3 4 8 4 2 1 1 1 2 2 3 4 3 3 3 1 1 1 0 1 1 1 4 11 12 100 30 68 16 6 18 9 3 2 2 0 2 1 1 0 3 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 0 1 2 2 5 6 3 12 22 12 3 2 1 0 1 2 24 9 0 1 1 1 2 1 1 2 4 3 4 3 4 7 85 19 3 3 3 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 t 1H J 21 \| 76 76 d 2H J 22 \| 73 73 dd 1H J 48 79 \| 69 68 s 1H \| 67 67 d 4H J 76 \| 15 15 s 17H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(Cl)c(C#N)cc1-c1ccccc1	ir: 2 3 3 2 6 2 4 8 7 5 4 2 1 2 3 5 4 9 3 1 1 2 2 1 1 2 2 1 3 4 7 14 25 5 6 4 5 3 9 45 18 84 24 13 2 4 2 0 2 3 2 0 1 3 2 0 1 3 1 0 2 4 2 1 3 7 5 15 30 9 3 0 2 5 2 2 4 5 4 1 4 11 2 1 2 2 1 1 2 2 1 5 8 9 3 1 2 3 3 2 3 2 1 2 3 3 9 10 2 1 0 2 3 3 0 2 5 3 2 2 4 3 3 4 19 20 4 4 3 3 3 8 16 47 26 13 3 2 2 2 3 5 6 44 7 8 27 15 6 6 14 8 3 2 1 4 2 0 1 2 2 3 1 2 2 0 1 3 1 0 1 3 1 0 1 3 1 1 2 2 1 1 40 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 4 3 2 3 2 1 2 3 3 2 2 4 5 7 7 4 27 100 44 18 3 2 4 4 3 1 3 4 2 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 81 81 s 1H \| 76 76 m 2H \| 75 74 m 2H \| 74 73 m 1H \| 27 27 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOC(=O)c1c(C)c(C)nc2c(F)cc(C(C)(C)C)cc12	ir: 5 5 3 9 4 3 11 10 12 22 6 8 13 6 1 4 6 2 15 4 1 3 5 32 10 3 2 2 2 1 1 3 8 7 4 4 9 4 4 2 2 1 2 5 4 1 2 6 3 4 9 100 40 4 9 2 2 2 3 3 7 5 8 2 4 14 17 26 58 21 14 7 5 3 9 5 4 10 9 5 3 1 2 2 4 2 2 2 2 2 4 2 4 1 2 2 2 2 2 2 2 4 11 11 8 4 4 4 3 5 8 13 21 18 15 25 12 17 15 15 8 11 13 11 21 15 5 23 17 15 11 20 38 22 12 7 10 5 6 4 13 8 35 61 16 28 15 8 5 7 10 14 28 19 38 3 1 5 2 0 2 3 2 0 1 3 2 2 5 4 2 1 2 2 1 0 1 2 1 0 2 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 2 2 2 3 12 10 4 3 4 5 4 3 3 6 7 5 13 74 21 10 11 38 47 14 12 5 2 2 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 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; 1HNMR: 83 83 d 1H J 22 \| 73 73 dd 1H J 22 121 \| 43 42 t 2H J 55 \| 25 25 s 3H \| 24 23 s 3H \| 19 18 qt 3H J 54 80 \| 14 13 s 8H \| 10 10 t 3H J 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(Cl)cnc1/C=C/c1ccc(Br)cc1	ir: 1 1 1 1 1 1 1 3 7 6 4 3 4 3 4 8 9 17 8 17 12 71 100 52 17 11 20 5 4 7 7 5 4 3 6 9 7 5 24 20 4 2 3 2 2 1 1 2 2 3 3 15 9 33 13 5 3 3 1 0 1 1 1 1 2 3 5 7 10 6 3 3 15 8 13 25 10 8 85 50 17 16 4 2 3 4 3 6 7 4 1 1 2 12 10 3 2 3 9 5 1 1 8 3 1 1 0 1 1 1 0 2 3 2 1 15 10 3 2 4 4 11 2 4 4 1 1 1 1 10 8 2 3 7 4 4 8 4 2 3 3 5 5 42 48 28 10 54 22 3 3 3 6 11 31 2 2 1 2 4 6 5 2 1 1 1 2 4 13 2 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 0 1 1 0 1 2 2 1 3 7 4 14 27 4 33 10 6 4 3 4 1 1 4 12 5 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 84 83 d 1H J 16 \| 80 80 d 1H J 18 \| 75 74 m 1H \| 75 74 m 4H \| 73 72 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)N1C(=O)C(Cc2ncc(Cl)cc2CO)c2cccnc21	ir: 4 2 2 2 4 5 3 5 1 3 7 3 0 5 5 6 10 9 6 13 3 9 15 7 6 7 6 14 9 5 3 3 5 15 4 5 19 15 7 25 5 26 10 6 3 3 1 3 1 2 1 1 2 2 3 9 2 2 5 3 4 2 8 3 2 3 3 5 3 2 1 1 2 4 1 1 1 1 1 1 2 4 17 2 3 3 5 7 2 5 4 8 5 8 6 19 30 13 4 11 8 11 4 3 3 4 2 1 1 1 3 2 2 2 2 1 2 2 3 11 4 4 5 3 3 2 1 4 7 8 8 19 6 4 5 2 4 2 4 3 2 1 1 1 1 1 4 38 12 7 100 2 5 6 9 6 5 2 6 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 2 2 2 1 4 2 4 4 9 8 4 14 26 2 4 20 44 5 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 dd 1H J 20 46 \| 83 82 d 1H J 16 \| 80 79 dt 1H J 8 16 \| 77 77 m 1H \| 72 71 dd 1H J 45 83 \| 48 47 dt 2H J 8 62 \| 47 47 dd 1H J 54 70 \| 41 41 m 1H \| 36 35 dd 1H J 67 162 \| 33 33 dd 1H J 67 162 \| 15 15 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](CO)N1CC[C@@H](F)C1	ir: 1 2 4 5 2 12 8 11 21 4 1 7 8 3 1 2 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 2 1 2 1 1 1 1 1 3 2 1 3 3 1 1 1 3 1 1 2 4 2 1 1 1 1 4 2 1 2 1 1 1 2 5 17 4 3 2 34 23 1 3 20 5 2 2 10 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 2 3 2 4 3 2 1 1 2 3 2 1 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 1 3 6 2 1 1 1 0 1 2 1 0 10 100 6 4 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 50 49 dddt 0H J 19 27 37 46 \| 49 48 dddt 0H J 18 27 37 45 \| 36 36 ddd 1H J 49 65 105 \| 36 35 t 1H J 65 \| 34 33 ddd 1H J 48 66 104 \| 31 30 m 1H \| 30 30 ddddd 1H J 19 34 50 69 119 \| 29 27 m 3H \| 23 22 m 1H \| 20 19 dddt 1H J 47 68 137 168 \| 12 11 d 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]c2c(c1C(=O)NCC(O)CN1CCN(C)CC1)CCCC2=O	ir: 3 4 5 2 13 3 14 4 5 3 7 4 2 2 5 2 3 5 3 4 5 2 1 3 3 5 7 7 13 8 13 5 4 2 1 3 4 12 4 2 1 1 1 2 2 8 13 34 24 8 7 5 2 3 1 2 2 2 2 3 1 2 1 4 6 1 3 5 5 7 2 3 3 3 4 3 2 4 1 8 25 4 4 5 11 9 11 29 14 13 3 2 2 2 3 1 1 6 4 6 5 10 4 2 2 3 3 8 7 7 1 2 1 2 1 12 7 9 2 6 4 4 6 21 19 4 1 4 5 2 2 2 1 1 4 0 3 5 32 4 2 1 6 5 19 2 1 1 1 1 0 17 4 3 2 43 3 22 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 0 1 1 1 2 3 2 2 1 1 1 1 3 6 11 4 4 1 1 1 1 0 2 4 18 100 11 3 1 1 1 1 1 1 3 1 1 1 2 2 7 3 9 18 16 16 19 9 3 3 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 97 s 1H \| 67 66 t 1H J 70 \| 43 43 d 1H J 59 \| 41 40 dp 1H J 51 60 \| 36 35 ddd 1H J 49 70 132 \| 33 32 ddd 1H J 50 69 132 \| 31 30 m 2H \| 29 27 m 7H \| 27 26 dd 1H J 49 126 \| 26 26 t 4H J 44 \| 24 23 d 6H J 101 \| 22 21 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC1(CCC)CCC(CC(=O)O)(CC(=O)O)CC1	ir: 1 1 1 1 2 1 1 2 2 4 5 7 14 24 15 10 25 31 28 100 64 12 8 9 1 5 3 1 2 1 1 0 0 1 1 0 0 1 1 1 0 2 1 1 1 3 5 3 2 2 1 2 1 1 1 0 1 2 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 5 7 9 25 32 64 4 13 8 11 6 6 4 4 3 1 2 2 0 1 3 3 1 2 1 1 2 2 5 2 2 2 2 1 1 2 2 0 2 3 1 1 1 1 2 2 3 2 2 1 1 1 1 2 1 3 3 2 2 2 4 2 4 4 1 2 3 4 1 6 40 46 7 4 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 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 1 1 0 0 0 0 1 1 2 1 2 3 2 2 1 1 2 3 7 2 5 2 1 1 1 0 0 1 1 0 0 7 20 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 25 24 s 3H \| 15 15 m 4H \| 14 14 m 4H \| 13 13 td 4H J 8 64 \| 12 11 m 4H \| 9 9 t 6H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(C)c1CC(=O)NCc1ccc(F)cc1Br	ir: 2 1 2 2 3 3 1 1 2 1 2 10 6 4 3 12 18 21 7 2 3 2 4 2 2 7 18 20 10 20 13 18 13 11 6 6 3 2 7 7 17 9 9 6 8 3 3 7 19 22 7 2 2 5 26 38 6 2 1 1 5 5 1 2 3 3 17 26 14 15 6 3 1 1 1 1 1 0 1 1 2 1 1 1 1 3 8 2 1 1 1 22 24 4 2 1 1 1 1 3 1 1 9 3 1 1 2 1 1 6 5 2 2 2 8 2 4 3 7 5 10 28 18 18 6 12 2 5 14 4 1 2 4 5 20 15 4 4 6 33 19 49 100 63 60 20 39 12 16 34 36 20 10 7 3 1 0 1 1 2 3 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 1 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 0 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 1 0 0 1 1 1 0 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 3 3 3 2 2 4 5 2 1 5 4 4 2 6 25 16 14 35 83 26 12 3 3 2 1 2 2 1 1 1 1 0 1 1 1 2 2 4 7 9 23 59 71 91 55 11 1 3 2 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 t 1H J 52 \| 73 72 m 2H \| 70 70 ddd 1H J 22 79 101 \| 46 46 dd 2H J 8 52 \| 37 36 s 2H \| 23 23 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.
CCNc1nnc(C(C)(C)c2ccc(S(=O)(=O)/C=C/C#N)cc2)o1	ir: 8 7 10 10 5 14 28 31 11 26 14 21 20 23 22 15 37 8 8 14 10 12 12 18 5 8 1 2 2 2 4 2 2 5 2 2 1 1 1 1 1 1 4 0 2 2 2 0 2 10 3 5 3 29 17 24 6 5 3 1 2 1 2 1 21 17 7 5 8 7 7 7 6 5 10 19 18 27 18 4 3 8 6 4 6 32 35 61 19 2 3 2 1 1 2 2 0 1 3 5 7 5 2 4 2 1 2 3 2 1 2 19 7 6 8 2 2 6 17 11 35 91 50 30 13 46 24 17 9 8 13 26 8 4 0 1 2 1 8 3 1 1 1 2 3 3 14 15 20 11 54 76 13 16 4 3 3 2 1 1 1 1 7 2 1 0 0 1 1 0 0 2 0 0 0 1 1 0 1 1 0 0 2 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 2 1 2 3 2 3 3 3 16 26 25 14 14 50 24 7 3 1 1 3 2 2 1 3 0 1 1 1 1 2 2 3 3 5 11 9 8 100 25 16 17 7 21 11 7 1 1 1 1 1 0 1 0 0 1 1 0 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 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 1; 1HNMR: 79 78 m 2H \| 75 74 m 2H \| 73 73 d 1H J 170 \| 64 63 d 1H J 170 \| 62 61 t 1H J 44 \| 37 36 qd 2H J 44 64 \| 18 18 s 5H \| 13 12 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1c(Cl)c(-c2cccnc2)nn1C	ir: 44 13 15 20 17 4 5 8 9 2 6 6 4 4 5 2 2 4 4 3 2 7 7 10 5 15 10 20 9 6 9 5 15 17 10 8 24 12 3 3 3 5 2 0 1 2 2 0 3 4 2 0 1 4 3 0 6 4 3 2 4 8 11 14 5 4 2 1 2 5 7 5 3 3 3 2 3 5 5 2 3 3 2 1 2 3 2 1 3 3 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 3 1 6 53 16 2 5 5 4 2 8 13 27 12 22 31 10 6 7 26 28 8 3 100 5 1 5 7 3 16 9 10 10 4 3 5 3 5 10 28 1 1 54 42 14 38 2 15 6 3 4 4 15 2 3 3 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 2 4 3 1 1 2 2 1 2 2 3 1 2 3 4 5 6 10 7 3 35 10 3 3 3 4 2 1 2 2 2 1 2 4 4 2 2 5 8 7 16 14 34 70 29 13 9 7 4 3 3 4 3 3 1 1 3 2 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 89 89 d 1H J 20 \| 87 86 dd 1H J 17 48 \| 82 81 dt 1H J 18 84 \| 75 75 dd 1H J 48 85 \| 56 56 q 1H J 50 \| 39 39 s 2H \| 31 31 d 3H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1ccnc(S)c1	ir: 2 2 2 3 13 2 2 1 1 2 2 1 1 2 2 1 0 10 100 18 3 1 2 2 2 2 1 2 2 2 2 3 4 4 15 4 3 2 2 7 9 4 2 2 5 18 4 3 2 2 3 2 2 2 2 1 2 2 2 1 2 2 2 2 2 5 16 30 4 2 2 2 4 13 3 1 2 2 2 2 2 2 3 3 2 2 1 2 2 2 2 2 2 2 2 2 2 2 4 52 26 2 1 2 8 7 3 2 2 2 2 6 82 45 0 2 3 2 1 2 2 2 3 6 15 14 1 2 2 2 2 2 10 10 2 2 2 1 1 2 2 1 1 2 2 2 5 7 2 2 2 2 2 2 1 2 2 2 3 9 5 3 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 4 3 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3 2 1 2 3 3 11 28 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 84 84 d 1H J 32 \| 75 75 d 1H J 22 \| 74 74 ddq 1H J 10 21 31 \| 63 63 s 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@](O)(c1cn(Cc2ccc3c(-c4ccc(F)cn4)cc(C(N)=O)nc3c2)nn1)C(F)(F)F	ir: 5 5 7 8 5 5 3 6 4 7 12 25 10 4 6 8 7 4 7 5 5 4 5 3 10 16 9 10 5 3 7 9 8 6 2 10 9 5 12 48 10 2 2 4 4 4 4 8 8 0 5 4 2 8 25 14 10 9 5 4 2 1 2 4 2 14 7 7 7 32 3 2 3 4 3 4 4 4 7 9 7 4 15 12 7 5 8 8 13 11 6 6 15 11 16 8 2 1 14 23 7 3 3 5 7 9 3 2 2 3 6 2 3 3 11 2 5 3 8 4 6 10 4 3 3 2 2 3 1 4 9 5 1 5 12 14 17 16 14 3 3 4 2 1 1 2 3 9 15 12 12 6 9 7 12 14 37 66 27 5 2 4 5 1 3 11 3 1 2 2 1 0 1 1 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 2 2 1 1 1 1 1 1 1 1 0 1 2 1 1 1 2 1 1 2 2 2 2 3 2 2 1 2 4 2 2 4 12 11 7 8 60 21 17 15 8 6 5 8 28 11 4 4 3 2 2 2 2 5 24 2 2 2 1 2 3 2 1 3 2 4 35 100 9 2 2 1 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 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 86 85 m 1H \| 85 85 s 1H \| 81 81 d 1H J 79 \| 80 79 dd 1H J 46 82 \| 78 78 dt 2H J 8 31 \| 75 74 m 4H \| 56 55 q 2H J 9 \| 47 46 q 1H J 33 \| 23 22 ddddd 1H J 23 49 72 95 154 \| 20 19 ddddd 1H J 22 48 72 94 152 \| 12 11 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOCCCCCCN1CCC(=NO)CC1	ir: 2 5 3 2 1 1 7 24 1 7 3 7 24 4 2 5 3 1 1 4 0 1 1 0 0 0 1 1 1 4 1 0 0 0 0 0 1 1 0 1 1 2 2 2 3 1 2 1 1 1 0 0 0 1 1 0 3 1 2 1 1 1 1 1 2 3 4 1 7 1 1 2 1 3 3 28 2 2 0 1 2 3 1 1 6 1 0 0 1 8 3 1 2 3 5 3 3 2 15 21 4 0 2 1 1 1 1 4 2 1 1 3 5 3 2 1 1 2 1 1 2 1 1 2 1 1 0 1 1 6 4 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 2 11 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 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 1 1 1 1 4 2 1 1 1 1 1 1 1 6 5 2 1 0 0 1 0 0 1 1 3 100 22 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; 1HNMR: 92 91 s 1H \| 34 34 td 4H J 28 57 \| 28 28 m 4H \| 26 25 m 4H \| 25 25 t 2H J 61 \| 16 15 m 4H \| 15 14 m 2H \| 14 13 m 4H \| 9 9 t 3H J 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC1OC1=O	ir: 0 49 51 17 5 16 19 18 31 22 22 14 4 15 27 19 50 49 34 14 22 38 81 23 6 16 17 7 7 15 15 6 7 15 14 5 7 16 13 5 7 17 14 12 12 41 25 19 39 32 26 16 30 23 12 3 12 19 10 4 18 22 17 5 23 38 37 18 19 20 12 8 20 30 26 17 22 34 14 5 14 16 9 8 16 19 8 56 46 100 50 50 78 27 12 13 21 17 8 15 24 16 5 10 16 20 21 25 19 25 7 16 18 13 3 12 21 27 21 21 35 34 21 13 19 10 5 14 18 18 10 18 23 11 4 15 17 7 27 34 49 53 52 28 20 12 12 13 13 10 12 14 11 12 12 64 100 65 18 26 14 2 9 20 11 1 9 19 11 2 10 18 10 2 11 17 9 3 11 17 9 4 12 16 8 4 12 16 8 5 13 15 7 6 13 14 7 6 13 14 6 7 14 13 6 7 14 13 5 8 15 12 5 8 15 11 4 9 16 11 4 9 16 11 4 10 17 10 3 10 17 10 4 11 16 9 4 11 15 9 5 12 15 8 5 12 15 8 6 12 14 8 6 13 14 7 7 13 13 6 7 14 13 6 7 15 12 6 9 18 14 10 12 23 15 8 14 23 18 6 14 25 26 52 51 41 31 11 12 15 10 6 11 15 9 6 11 14 9 6 11 14 8 6 12 13 8 7 12 13 7 7 13 13 7 7 13 12 7 8 13 12 6 8 14 11 6 9 14 11 6 9 14 11 5 9 15 10 5 10 15 10 5 10 15 10 5 10 15 9 5 11 14 9 6 11 14 9 6 11 13 8 7 12 13 8 7 12 13 8 7 12 12 7 8 13 12 7 8 13 12 7 8 13 11 6 9 14 11 6 9 14 11 6 10 14 10 5 10 15; 1HNMR: 46 46 t 1H J 55 \| 22 21 ddd 1H J 55 70 134 \| 20 18 m 2H \| 10 9 d 3H J 69 \| 9 8 d 3H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1=Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1	ir: 2 3 6 4 2 3 4 3 8 5 3 1 3 2 3 5 6 10 7 7 12 36 100 8 9 3 3 2 3 7 2 1 1 2 2 2 2 1 2 1 1 1 1 1 1 1 1 4 2 3 1 1 2 6 12 9 10 6 3 3 2 5 3 5 5 10 4 7 11 9 2 3 2 2 3 2 10 0 31 1 2 4 3 1 2 1 1 3 3 1 2 3 2 1 2 3 3 3 4 7 3 1 1 1 2 2 3 7 5 10 10 5 6 6 3 7 2 3 3 2 4 2 2 12 9 3 2 3 4 4 1 2 3 3 3 2 2 2 1 1 2 1 7 82 5 1 2 5 13 7 10 5 6 2 2 1 4 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 1 2 2 3 2 4 7 7 11 38 18 6 6 6 3 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 d 1H J 79 \| 80 79 d 1H J 20 \| 79 79 q 1H J 7 \| 78 77 dd 1H J 22 81 \| 76 75 d 1H J 77 \| 71 70 d 1H J 29 \| 70 70 dd 1H J 27 77 \| 48 48 d 2H J 9 \| 38 38 s 2H \| 37 37 s 2H \| 28 28 p 1H J 54 \| 20 19 m 2H \| 17 14 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(N3CCN(C)C3=O)cc2C#N)CC1	ir: 4 7 5 9 4 7 8 7 9 5 8 9 3 5 8 3 5 7 6 8 4 5 4 4 5 9 12 5 3 15 8 13 9 7 18 9 36 54 47 24 18 12 14 4 6 5 6 3 7 8 4 1 6 13 87 38 12 22 6 5 6 11 7 2 7 13 18 2 8 16 5 2 6 5 3 13 6 4 3 2 3 6 4 19 30 9 36 5 14 15 10 5 10 8 12 7 13 23 3 8 7 8 3 6 12 13 16 14 10 4 3 13 32 11 4 9 8 8 9 23 47 17 16 27 22 18 24 6 23 40 9 7 18 40 14 33 11 0 48 33 8 10 10 11 11 27 21 20 21 20 23 11 26 52 76 49 9 3 11 4 4 2 18 7 4 2 2 3 3 1 2 4 2 1 3 4 3 1 3 4 2 1 6 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 3 4 4 1 2 5 4 3 4 7 4 2 5 22 9 12 24 24 23 12 100 19 8 9 6 7 4 4 3 3 3 2 4 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 80 80 m 1H \| 78 78 d 1H J 73 \| 76 76 d 1H J 22 \| 73 73 m 2H \| 39 39 m 2H \| 37 37 m 4H \| 36 36 m 6H \| 30 30 s 2H \| 28 28 dq 1H J 61 68 \| 22 22 s 2H \| 14 13 m 2H \| 11 11 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nn(CCOCCN)c(CC)c1Oc1cc(Cl)cc(Cl)c1	ir: 10 8 1 5 4 2 11 5 5 4 8 7 4 6 4 4 3 3 1 6 5 4 2 4 3 1 4 4 7 4 3 3 3 1 1 2 2 2 2 3 3 4 2 11 5 7 6 10 7 3 4 5 3 2 5 5 14 11 21 38 16 8 9 8 22 19 34 42 28 21 16 12 9 25 21 62 30 5 6 7 11 5 7 4 2 2 5 3 1 2 14 11 4 4 8 5 3 3 2 2 1 1 3 3 2 1 2 2 1 2 4 5 12 7 4 5 1 5 3 6 5 17 24 9 15 10 18 12 5 11 17 30 38 65 43 11 23 35 11 3 2 3 2 1 1 4 6 4 2 5 2 1 1 2 2 0 2 17 6 10 7 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 1 2 1 1 2 1 1 1 2 2 1 4 2 2 2 3 3 6 2 3 4 3 2 8 12 42 12 18 34 25 7 7 5 3 1 3 4 4 7 4 11 8 44 45 79 23 4 16 9 13 44 100 11 4 2 2 3 1 2 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 71 70 t 1H J 22 \| 69 68 d 2H J 22 \| 42 41 t 2H J 40 \| 38 38 t 2H J 39 \| 35 35 t 2H J 40 \| 29 28 tt 2H J 39 70 \| 26 25 q 2H J 76 \| 25 24 q 2H J 69 \| 17 16 t 2H J 71 \| 12 11 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)N[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4CCO5)CC3)CC2)on1	ir: 1 4 3 4 2 4 5 6 8 3 8 14 2 9 21 3 4 5 17 6 2 16 71 63 12 3 4 6 7 12 3 2 3 3 5 3 6 3 3 0 5 13 19 56 51 9 55 44 17 4 13 5 5 12 6 8 6 4 5 3 2 0 3 8 2 17 6 8 10 5 5 11 3 14 28 14 11 5 7 5 18 26 13 4 6 5 7 2 40 15 6 5 2 7 6 3 4 4 6 10 7 6 8 8 16 17 13 13 4 29 24 9 2 4 5 4 3 6 4 5 3 11 15 11 22 10 9 6 14 5 8 7 2 15 14 14 6 13 20 14 28 10 9 12 60 100 39 52 52 18 7 7 4 5 3 3 15 5 5 2 2 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 3 2 4 1 3 2 9 7 8 7 7 9 10 4 9 11 39 30 22 35 26 30 14 5 2 5 4 4 2 1 2 2 1 1 2 2 4 8 5 9 17 10 23 47 16 29 19 9 6 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 71 t 1H J 81 \| 71 71 d 1H J 101 \| 70 69 dt 1H J 9 81 \| 68 68 s 1H \| 68 67 dd 1H J 13 81 \| 45 44 m 2H \| 35 34 m 1H \| 31 30 m 2H \| 30 29 ddd 2H J 55 82 115 \| 29 28 m 1H \| 26 25 dt 1H J 81 120 \| 25 24 m 3H \| 24 23 s 2H \| 22 21 ddt 2H J 54 82 125 \| 19 18 m 4H \| 17 14 m 7H \| 14 12 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(F)c(OS(=O)(=O)C(F)(F)F)ccc2c1	ir: 12 9 7 10 8 10 7 6 12 13 17 9 6 4 2 5 6 4 5 7 9 4 5 10 10 6 5 6 6 3 6 11 10 4 4 5 4 2 3 5 4 2 4 5 4 2 4 7 5 4 15 13 5 1 19 38 20 14 7 6 5 4 6 7 6 4 11 9 15 15 56 40 11 3 5 5 4 5 3 3 6 8 2 10 32 100 85 25 6 13 10 7 2 3 8 6 3 12 22 9 7 4 7 5 0 3 10 6 2 11 25 5 0 4 8 4 1 4 7 3 1 4 7 4 3 4 12 8 3 5 6 3 1 4 5 2 1 4 5 2 3 5 5 2 3 17 5 2 3 5 5 3 6 18 10 2 3 12 6 1 3 5 4 1 3 6 4 5 5 6 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 2 2 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 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 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 2 4 6 6 7 16 32 43 5 6 8 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 5 3 2 3 5 3 2 3 5 3 1 3 5 3 1 3 5 3 2 3 5 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 5 3 2 3 5 3 2; 1HNMR: 79 78 dd 1H J 52 81 \| 76 76 dd 1H J 22 95 \| 74 73 dd 1H J 48 94 \| 72 71 t 1H J 23 \| 69 69 dd 1H J 24 81 \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CC(=O)OCc1ccccc1)(NC(=O)OC(C)(C)C)C(=O)OCC	ir: 7 11 8 12 16 11 7 7 10 12 14 12 4 5 5 4 5 5 5 9 7 6 5 5 5 4 4 5 6 10 8 10 13 10 57 22 12 14 7 23 15 13 5 4 6 6 5 4 5 5 5 4 5 5 5 6 5 5 4 4 5 8 6 5 5 7 10 6 6 10 5 5 5 5 5 5 8 8 6 4 5 5 5 8 6 5 4 5 8 10 5 5 5 5 5 6 6 10 7 9 11 11 10 6 6 5 5 5 9 8 4 8 13 21 15 15 19 17 9 12 9 7 6 5 6 5 4 6 12 12 6 12 10 11 6 13 7 5 4 7 8 0 60 11 17 34 13 100 6 9 8 5 5 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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 6 6 5 5 5 8 6 6 6 5 6 6 7 9 34 10 7 18 15 16 6 5 5 5 5 6 5 5 4 4 4 4 4 4 4 5 4 4 5 5 5 5 72 8 6 6 4 4 4 4 4 4 4 4 4 4 4 4 5 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; 1HNMR: 74 73 m 6H \| 66 66 s 1H \| 51 51 s 2H \| 43 41 m 5H \| 33 33 s 2H \| 14 14 s 8H \| 12 12 t 7H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](Cn1ccc(-c2cc(F)c(C#N)c(Cl)c2)n1)NC(=O)c1ccn(-c2cnn(C)c2)n1	ir: 0 4 5 3 2 5 5 3 5 8 7 11 3 8 6 4 5 4 5 2 4 8 7 9 8 7 8 7 4 5 4 2 1 5 4 2 3 5 11 1 2 11 24 100 11 7 4 1 2 16 18 6 7 8 4 3 4 7 3 4 3 6 4 8 10 9 7 19 12 7 2 1 3 4 3 4 4 4 2 2 5 6 4 2 4 5 1 2 8 4 4 4 5 7 7 5 7 5 1 2 4 4 3 3 5 3 1 4 9 3 5 14 7 5 1 4 7 4 1 3 6 4 2 4 5 3 5 9 7 5 2 9 26 4 3 20 7 4 4 20 24 11 20 21 12 22 9 9 10 30 36 10 9 10 3 6 4 1 2 5 4 1 2 5 3 1 2 5 3 0 3 5 2 0 3 5 2 1 3 4 2 0 12 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 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 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 4 3 1 2 4 4 1 2 4 3 1 2 4 3 1 2 5 4 1 2 4 4 2 4 5 4 1 2 5 5 3 11 10 10 13 50 8 23 38 36 9 5 2 4 4 3 2 3 4 3 1 4 5 3 2 5 12 19 8 17 6 4 3 4 3 2 2 4 3 2 2 4 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4; 1HNMR: 80 80 d 1H J 35 \| 77 76 m 2H \| 76 76 d 1H J 22 \| 75 74 dd 1H J 22 121 \| 74 73 m 2H \| 73 73 d 1H J 35 \| 67 66 d 1H J 38 \| 42 41 ddd 1H J 8 37 124 \| 41 40 m 1H \| 40 39 ddd 1H J 9 38 126 \| 38 38 s 3H \| 13 13 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(C)c1C(CO)c1cc2cc(CC(=O)O)ccc2o1	ir: 1 2 1 2 3 3 2 1 3 5 10 5 6 6 4 3 2 2 6 8 36 100 27 35 32 2 2 2 1 1 2 4 3 1 7 2 2 1 1 2 2 2 3 5 6 12 4 2 4 3 1 1 2 2 10 5 2 2 1 2 3 3 2 1 2 1 2 4 6 1 3 2 2 1 2 4 4 9 65 9 8 7 5 3 2 7 13 47 21 10 14 16 5 4 2 4 5 5 3 9 8 10 3 2 2 2 4 5 3 2 1 1 1 2 2 2 2 4 3 6 8 6 2 2 4 2 3 3 8 5 2 2 2 1 1 8 2 1 1 2 5 3 69 33 13 10 3 2 3 0 43 1 0 3 10 1 0 1 1 0 0 1 1 2 1 2 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 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 1 1 2 2 3 2 2 2 2 2 3 12 13 3 11 17 10 9 11 8 6 7 20 60 32 36 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 0 1 1 1 0 1 1 1 1; 1HNMR: 76 76 td 1H J 14 21 \| 73 73 d 1H J 83 \| 73 72 ddt 1H J 9 20 84 \| 67 67 d 1H J 21 \| 43 42 m 2H \| 40 40 dt 1H J 56 115 \| 37 36 t 1H J 55 \| 36 35 t 2H J 9 \| 24 24 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.
Clc1ccc2c(N3CCNCC3)nsc2c1	ir: 2 2 5 1 3 2 5 3 3 4 2 9 20 1 1 3 4 1 28 14 7 5 1 3 2 1 1 2 1 1 1 1 3 2 3 3 2 1 2 3 2 4 2 3 2 5 4 5 4 13 40 26 52 100 77 20 11 6 4 2 4 3 4 26 24 12 14 5 2 5 15 5 4 2 2 2 1 1 1 5 6 3 2 1 3 2 6 7 5 4 5 3 1 2 2 2 7 10 4 1 1 3 1 1 2 3 5 10 16 35 20 14 11 9 13 15 31 12 18 8 4 26 3 4 5 6 17 9 10 36 11 3 9 38 16 7 10 19 4 1 1 1 1 1 2 6 5 4 3 1 3 42 4 1 1 1 1 1 1 1 7 3 1 0 1 1 1 1 0 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 4 2 2 2 1 2 2 2 2 4 8 3 5 23 36 19 4 3 2 1 1 1 1 1 1 1 2 3 4 4 5 8 17 86 10 4 2 5 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 80 80 d 1H J 85 \| 74 74 d 1H J 22 \| 73 73 dd 1H J 22 84 \| 36 35 m 4H \| 29 29 m 4H \| 20 19 p 1H J 33	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(F)ccc(C)c1F	ir: 47 52 59 20 13 11 13 8 2 7 12 3 1 12 11 9 10 7 9 6 13 14 9 2 3 7 7 2 2 7 7 2 4 11 8 3 6 9 28 9 2 11 6 0 3 8 6 1 5 11 17 84 100 22 10 3 5 12 10 5 6 11 7 1 7 11 4 0 14 28 12 9 11 12 8 5 11 8 5 2 7 8 2 2 7 12 12 4 10 15 1 3 9 7 2 4 9 7 4 37 31 9 2 4 12 10 11 13 10 7 8 63 43 11 3 7 11 8 4 8 10 6 2 7 8 6 6 14 23 21 30 9 10 5 1 9 15 16 5 14 16 54 61 13 15 9 4 8 36 35 12 6 43 52 42 14 9 4 27 52 25 3 4 8 5 1 4 9 5 0 5 9 4 0 5 8 4 0 5 8 4 1 5 8 3 1 5 8 3 1 6 8 3 2 6 7 3 2 7 7 2 2 7 6 2 3 7 6 1 3 7 6 1 3 7 5 1 3 8 5 1 4 8 5 1 4 8 4 0 4 8 4 0 5 8 4 1 5 8 4 1 5 7 3 1 6 7 3 2 6 7 3 2 6 6 3 3 6 6 2 3 7 6 2 3 7 6 2 4 10 7 3 5 8 7 2 4 9 6 3 7 11 9 9 18 16 25 61 57 34 14 4 11 14 7 2 5 8 4 2 6 7 3 2 6 7 3 2 6 7 3 2 6 6 2 3 6 6 2 3 6 6 2 3 7 5 2 3 7 5 1 4 7 5 1 4 7 5 1 4 8 4 1 4 8 4 1 5 7 4 1 5 7 4 2 5 7 3 2 5 7 3 2 5 6 3 2 6 6 3 3 6 6 2 3 6 6 2 3 6 5 2 3 6 5 2 4 7 5 2 4 7 5 1 4 7 4 1 4 7; 1HNMR: 73 72 m 1H \| 70 70 t 1H J 101 \| 39 39 s 3H \| 23 23 dd 3H J 10 47	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(CCCO)C[C@H](C)O1	ir: 5 7 4 10 4 2 2 9 3 4 5 47 14 22 7 3 2 3 3 3 3 5 5 7 100 14 10 1 1 2 2 1 1 2 2 1 1 3 2 1 1 4 2 1 2 2 2 2 7 19 13 14 3 12 4 2 6 10 11 0 7 24 5 14 3 5 8 4 5 7 6 1 18 46 12 5 12 56 7 35 16 11 15 36 18 21 55 31 60 84 45 16 11 11 9 14 7 6 14 13 12 5 19 6 11 2 3 5 2 4 4 3 5 3 2 3 5 6 5 5 5 4 7 9 10 8 6 4 3 2 1 3 8 8 2 3 4 3 4 3 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 2 4 6 2 3 3 10 7 6 6 5 6 6 9 4 9 30 1 6 5 4 4 5 6 5 12 31 39 11 6 5 5 3 3 2 1 2 2 2 2 2 2 2 2 2 3 1 2 2 2 2 2 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 1 1 1 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; 1HNMR: 43 43 t 1H J 59 \| 39 38 m 2H \| 37 36 q 2H J 62 \| 28 28 dd 2H J 14 115 \| 27 25 m 2H \| 25 24 dd 2H J 42 117 \| 18 17 p 2H J 67 \| 12 12 d 6H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC(C(=O)OC(C)(C)C)[C@@H](CC(C)C)C(=O)O	ir: 3 2 2 1 0 2 1 2 1 6 3 12 19 4 3 3 15 7 7 6 11 55 100 11 4 3 2 3 3 4 5 4 2 2 1 1 1 2 2 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 1 4 6 3 1 1 1 2 1 1 1 2 5 6 5 2 5 9 18 9 3 1 4 2 1 1 2 6 6 1 1 2 2 1 1 3 5 4 3 2 2 3 3 3 3 5 4 3 1 6 10 5 3 5 5 3 3 6 9 5 6 8 6 5 2 2 3 6 5 5 9 5 5 4 3 3 2 3 8 10 3 3 7 28 10 37 5 3 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 2 1 1 1 2 2 2 4 6 9 4 5 15 1 7 7 3 1 4 4 2 1 5 2 16 11 1 1 1 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 58 57 ddtd 1H J 17 81 110 163 \| 52 51 m 1H \| 50 50 ddt 1H J 12 24 165 \| 30 29 dt 1H J 78 119 \| 29 28 dtd 1H J 17 73 119 \| 25 24 m 1H \| 23 22 m 1H \| 18 16 m 2H \| 16 15 dt 1H J 81 130 \| 13 13 s 7H \| 10 9 d 3H J 66 \| 9 8 d 3H J 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cnc(-c2cccc(C(C)c3nn(-c4cnn(C)c4)ccc3=O)c2)nc1	ir: 1 2 3 1 1 2 3 2 3 7 5 4 3 3 2 1 2 3 2 1 1 2 1 1 2 3 2 1 5 3 4 4 4 2 1 1 2 11 9 3 1 2 2 1 5 1 1 0 5 3 11 4 2 1 2 0 1 2 2 1 1 2 2 1 3 2 2 10 4 4 1 1 2 3 3 1 2 3 2 1 1 1 1 1 1 2 1 1 3 3 5 8 1 1 1 1 1 3 3 2 1 1 2 1 1 1 0 1 1 2 1 3 3 1 1 1 1 1 1 4 2 1 1 2 4 6 1 5 71 8 4 1 4 1 1 1 1 1 0 2 19 5 4 4 6 100 6 0 0 3 3 2 10 4 1 1 3 1 3 11 3 1 1 3 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 0 1 1 1 1 2 2 2 2 5 2 2 37 18 9 4 33 3 2 2 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 s 2H \| 80 79 m 2H \| 79 79 td 1H J 6 22 \| 76 75 dd 1H J 79 94 \| 75 75 s 1H \| 74 74 ddt 1H J 9 21 79 \| 73 73 s 1H \| 65 65 d 1H J 81 \| 44 43 m 1H \| 38 38 s 3H \| 36 36 s 3H \| 15 15 d 3H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC1Cc2[nH]c3ccc(C#N)cc3c2C1	ir: 3 3 5 4 7 4 2 2 1 7 5 2 2 1 1 2 1 2 9 2 2 1 4 4 23 37 19 13 23 8 5 4 2 7 4 5 2 73 5 2 1 1 1 0 1 1 1 1 1 2 1 1 1 4 7 4 1 1 1 1 1 3 2 1 5 9 6 21 3 2 2 1 1 5 5 2 2 1 1 0 1 1 1 1 1 1 2 0 1 1 2 2 4 1 3 3 5 3 3 3 5 14 0 1 2 1 2 15 2 17 5 6 2 2 2 1 1 1 3 7 8 6 12 12 4 7 10 1 4 6 6 5 3 1 1 1 1 1 1 1 1 3 7 15 25 94 43 12 6 65 2 5 3 5 28 6 1 4 1 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 2 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 4 3 3 1 0 3 4 6 9 17 15 5 21 5 2 4 4 1 2 1 0 1 1 3 2 5 1 1 1 1 1 0 1 1 21 18 100 58 22 37 19 6 2 1 1 2 2 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H \| 78 78 d 1H J 24 \| 75 74 dd 1H J 21 58 \| 74 73 d 1H J 59 \| 59 59 d 1H J 70 \| 45 45 dp 1H J 51 70 \| 31 31 m 2H \| 29 28 m 2H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(Cl)cc(C=O)n1	ir: 8 70 1 5 13 4 2 1 2 2 0 13 12 2 1 2 2 1 1 1 1 1 0 0 1 1 0 2 2 44 1 2 1 1 43 4 0 1 0 0 0 1 1 0 0 1 2 3 1 1 1 1 1 0 1 1 0 3 2 4 10 4 14 7 6 24 55 17 22 12 1 1 1 1 1 3 2 1 1 0 1 1 0 1 1 1 1 50 10 2 2 2 1 3 6 100 5 2 0 0 1 2 1 3 43 1 2 1 0 1 0 1 1 2 2 6 40 4 3 4 6 7 2 1 0 0 1 9 25 0 0 1 0 0 0 0 0 1 1 2 35 2 1 1 4 14 9 3 1 1 1 1 2 1 0 0 2 3 1 0 25 6 1 1 1 0 0 1 0 0 0 1 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 1 1 0 1 1 2 8 8 12 47 21 3 1 0 6 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; 1HNMR: 83 83 d 1H J 22 \| 81 81 d 1H J 24 \| 40 40 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOCc1ccc(C)cc1C	ir: 4 2 0 6 6 5 3 2 2 7 7 3 3 7 8 10 5 4 3 2 2 1 0 2 2 1 0 2 2 1 1 5 4 1 0 2 1 0 1 2 1 1 3 2 2 3 6 4 2 1 7 58 44 20 10 15 11 10 13 16 7 8 15 30 27 7 39 27 37 25 12 47 46 20 15 5 2 2 9 6 4 2 3 6 7 6 4 3 0 2 3 3 8 21 100 29 37 9 6 29 11 5 4 2 2 2 3 2 0 3 3 2 0 3 4 3 1 4 7 5 5 4 9 6 9 16 10 8 2 7 9 4 2 2 2 0 0 2 2 1 0 2 4 14 9 6 4 1 3 14 14 2 3 34 24 6 2 1 1 1 1 15 4 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 3 5 6 3 3 3 5 5 3 3 3 4 3 4 32 36 25 54 67 83 38 17 9 3 2 3 4 2 0 2 3 2 1 2 2 1 0 1 1 0 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 71 70 dt 1H J 8 77 \| 70 69 ddd 1H J 9 19 82 \| 69 68 d 1H J 19 \| 46 45 d 2H J 7 \| 37 37 t 2H J 46 \| 36 35 t 2H J 46 \| 34 34 s 3H \| 23 22 s 3H \| 22 22 d 3H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1ccc(N/C(=C\C(=O)OC)C(=O)OC)cc1C1=NC(=O)C2=NN=NC2=N1	ir: 3 3 1 2 2 2 2 3 5 2 3 7 10 9 4 7 12 27 23 12 25 35 17 20 17 2 3 8 4 6 7 7 4 4 2 5 14 8 5 9 3 3 4 8 8 15 5 5 12 14 9 5 1 6 6 13 5 0 3 4 3 1 2 2 10 40 8 26 15 5 4 5 4 4 3 5 36 10 21 19 4 2 2 2 1 1 1 8 4 3 5 4 2 1 3 2 4 1 2 2 1 1 2 2 1 9 5 2 43 17 12 29 15 4 3 3 3 4 5 5 7 7 9 22 37 16 5 3 5 2 5 10 29 5 16 5 2 3 11 2 2 17 12 36 14 31 61 26 9 26 6 14 15 10 16 73 11 8 2 2 7 3 3 14 5 5 100 0 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 2 2 3 2 4 2 10 11 10 17 37 18 3 2 2 1 2 1 2 1 2 1 2 2 2 2 2 1 3 2 5 8 4 10 18 53 29 24 12 13 8 13 6 4 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; 1HNMR: 90 89 s 1H \| 77 77 d 1H J 18 \| 72 71 m 2H \| 64 64 s 1H \| 41 41 t 2H J 53 \| 38 38 s 3H \| 38 38 s 3H \| 20 19 qt 2H J 53 79 \| 11 11 t 3H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2ccn(C[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)ccc1C#N	ir: 0 2 3 1 1 2 3 2 2 2 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 7 2 1 2 3 0 1 2 2 1 1 2 8 74 17 1 1 0 1 3 4 0 2 8 5 27 5 1 2 2 2 2 1 2 3 3 1 0 1 2 1 4 1 1 1 4 1 2 1 1 1 2 1 1 2 1 1 0 1 1 2 1 1 1 1 1 4 4 1 8 18 2 1 1 2 1 1 1 3 1 0 1 2 1 0 1 2 3 4 5 6 9 4 3 3 3 2 3 5 2 0 1 1 1 3 3 3 1 12 6 2 1 36 1 7 8 7 2 3 7 3 2 2 3 1 3 3 0 59 4 4 1 1 12 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 4 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 0 1 1 1 2 2 2 1 1 2 3 4 1 5 6 18 100 10 5 7 7 6 7 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 79 78 dd 2H J 31 51 \| 78 78 dd 1H J 21 74 \| 77 77 dd 2H J 31 51 \| 77 76 d 1H J 74 \| 76 76 m 1H \| 74 74 dt 1H J 10 38 \| 67 66 d 1H J 37 \| 49 48 qt 1H J 26 51 \| 44 43 ddd 1H J 8 26 112 \| 41 41 ddd 1H J 8 26 112 \| 24 24 s 2H \| 13 13 d 3H J 50	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)c1[nH]c(-c2ccc(Cl)cc2)c(C)c1Br	ir: 3 2 0 2 3 1 0 2 3 2 3 5 4 2 1 3 4 2 1 4 3 1 1 3 3 1 1 4 2 1 1 4 3 1 5 4 5 3 2 8 4 6 7 7 9 11 20 8 7 2 3 3 3 2 5 17 5 1 2 3 2 1 2 3 1 1 2 3 4 8 3 4 1 1 2 3 1 1 2 2 1 2 4 3 1 2 3 4 1 2 5 4 2 3 4 2 1 2 2 2 1 1 3 2 1 2 4 6 1 1 3 2 1 2 5 5 2 3 4 3 3 5 5 6 3 3 3 2 1 4 4 2 2 8 5 2 1 2 2 2 2 2 100 35 1 5 5 9 8 3 3 1 3 3 2 1 1 3 2 0 1 3 2 1 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 2 2 3 2 1 3 6 6 2 9 24 11 3 3 3 2 5 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 4 9 11 6 11 4 2 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 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; 1HNMR: 75 75 m 2H \| 74 74 m 2H \| 31 30 q 2H J 75 \| 25 25 s 3H \| 13 13 t 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc2c(Cl)cc(Cl)c(O)c2n1	ir: 4 3 3 3 4 4 3 4 4 10 5 8 19 21 42 50 18 12 8 24 33 100 21 5 5 11 12 10 5 5 9 39 10 7 6 4 4 5 4 3 3 4 6 5 3 4 3 3 3 5 10 22 7 3 3 6 12 4 3 3 3 4 5 6 4 4 5 18 10 4 5 5 9 7 4 4 4 11 12 15 8 11 7 10 15 12 10 25 36 30 8 10 6 10 28 22 5 4 4 5 3 3 17 8 5 3 3 3 3 3 3 3 3 3 3 11 4 3 3 4 4 3 8 5 5 34 8 4 5 3 8 5 4 0 73 3 3 3 3 3 4 3 4 4 3 4 5 10 5 25 9 4 3 6 3 4 3 4 3 10 4 3 3 5 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 4 10 13 26 10 3 5 4 4 3 16 64 52 14 6 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 83 83 d 1H J 85 \| 81 81 d 1H J 84 \| 77 77 s 1H \| 76 76 s 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(c1cccs1)c1cccnc1F	ir: 1 1 2 1 1 1 2 2 1 1 2 2 0 1 2 1 1 2 2 1 1 1 2 1 1 3 5 1 1 2 2 16 2 10 3 1 3 42 9 11 17 4 2 3 2 2 1 1 1 2 1 2 2 4 2 0 1 2 1 1 1 2 10 3 1 2 1 1 1 2 1 1 2 1 1 1 2 4 3 7 6 6 9 33 21 2 100 60 12 15 12 3 2 3 4 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 9 6 2 1 0 1 3 3 4 4 6 2 1 2 3 2 1 2 4 26 2 10 4 1 0 1 1 1 4 1 1 1 1 1 14 24 2 2 2 0 1 2 3 3 5 3 5 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 2 2 1 2 6 7 2 3 5 3 23 7 15 18 4 3 12 73 4 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 83 ddd 1H J 21 38 51 \| 77 77 m 1H \| 75 74 dd 1H J 17 54 \| 73 72 dd 1H J 51 90 \| 72 72 ddd 1H J 7 17 64 \| 71 70 dd 1H J 53 64 \| 60 59 m 1H \| 40 40 d 1H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1=CCC(CNC(C)=O)CC1(C)c1ccc(Cl)c(C(F)(F)F)c1	ir: 10 4 0 3 1 2 8 11 2 5 4 2 2 2 3 1 4 4 1 12 7 5 1 1 3 3 4 9 3 5 14 36 37 7 2 9 4 2 1 2 1 0 1 2 1 0 1 2 2 1 2 2 2 7 13 12 3 1 1 2 2 1 2 4 3 2 13 12 3 7 5 3 6 2 9 3 2 1 1 2 2 1 1 1 1 1 1 1 1 5 3 1 1 1 1 2 3 3 4 35 2 3 4 9 17 4 3 3 5 4 4 3 2 3 2 2 3 5 12 11 8 8 4 17 6 4 4 2 3 5 4 5 5 6 10 5 3 2 2 3 9 22 15 33 52 100 84 6 9 19 4 1 1 2 1 1 1 2 1 0 3 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 1 1 3 3 2 2 3 2 2 2 2 14 12 16 13 19 8 6 5 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 3 10 18 12 6 13 10 21 14 6 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 76 dq 1H J 8 23 \| 75 74 d 1H J 74 \| 72 72 dd 1H J 22 75 \| 68 67 td 1H J 18 57 \| 61 61 t 1H J 55 \| 38 37 s 3H \| 34 33 ddd 1H J 47 56 125 \| 32 31 ddd 1H J 47 55 125 \| 24 22 m 3H \| 22 21 ddd 1H J 57 63 158 \| 21 20 dd 1H J 69 135 \| 20 20 s 3H \| 15 15 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c([C@@H]2Cc3ccccc3N2)nc2c1oc1ccc(Br)cc12	ir: 4 4 3 7 2 4 4 2 2 2 3 2 2 3 4 2 2 2 3 2 3 3 7 2 14 2 2 2 2 3 2 3 2 2 2 3 3 2 2 2 3 6 53 8 3 3 3 4 15 100 45 10 27 15 9 3 3 2 3 2 2 2 3 2 2 2 2 9 5 2 2 2 2 5 6 4 2 2 2 5 3 2 2 5 3 2 2 7 7 2 2 3 4 3 2 6 3 5 3 6 3 3 2 2 3 4 13 3 4 5 2 2 2 3 4 2 2 4 1 2 3 2 2 3 3 3 2 3 5 9 17 8 6 3 6 23 3 4 3 9 11 3 3 3 4 17 4 6 3 0 8 6 2 3 2 1 2 3 2 1 42 2 42 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 4 2 9 28 37 6 3 2 3 2 2 3 2 2 2 2 2 2 2 4 6 3 3 4 6 9 14 20 53 19 9 4 4 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 99 99 s 1H \| 82 81 d 1H J 26 \| 76 76 dd 1H J 26 84 \| 76 75 d 1H J 84 \| 72 71 ddt 1H J 9 18 82 \| 71 70 ddd 1H J 17 74 80 \| 68 68 ddd 1H J 14 75 85 \| 67 66 dd 1H J 14 81 \| 54 54 d 1H J 62 \| 50 49 ddd 1H J 32 50 62 \| 31 31 ddd 1H J 7 31 146 \| 29 28 ddd 1H J 7 50 147	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(N)c2ccccc21	ir: 6 2 5 13 12 3 2 3 2 15 14 4 1 2 4 4 0 2 3 1 0 1 1 1 1 1 1 1 0 1 1 0 4 1 1 1 1 1 1 1 1 21 35 9 2 5 2 1 1 1 1 3 4 2 2 3 34 13 10 8 100 26 7 11 6 3 1 5 3 1 3 2 4 4 27 10 2 4 1 3 31 2 1 1 2 2 4 17 1 2 1 1 1 4 1 2 2 5 1 2 1 1 7 1 1 1 1 1 1 6 1 2 2 7 2 3 1 5 5 19 5 4 5 18 10 3 0 9 9 33 92 12 5 8 27 12 4 5 10 1 1 1 1 15 1 2 1 1 2 4 51 20 5 1 3 2 1 1 1 0 13 11 3 2 2 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 2 2 1 2 2 1 1 2 1 1 1 2 3 2 2 3 27 8 6 13 48 2 3 2 3 2 1 1 2 2 2 4 4 19 16 6 11 6 4 3 2 7 3 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 84 dd 1H J 14 77 \| 75 75 ddd 1H J 6 14 82 \| 74 73 td 1H J 14 80 \| 71 70 td 1H J 13 80 \| 46 45 ttd 1H J 7 26 53 \| 45 44 dd 1H J 26 126 \| 42 41 dd 1H J 26 126 \| 23 22 d 2H J 53 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(NC(C)=O)sc2c1C(C)(C)OC2(C)C	ir: 1 2 2 4 2 4 3 6 3 23 19 11 4 12 11 1 1 2 2 2 1 2 1 1 2 2 1 1 1 1 1 3 1 1 1 1 1 2 3 13 1 2 1 1 1 2 1 0 2 3 2 1 6 6 15 81 99 8 5 4 7 8 11 3 5 5 6 3 4 15 30 19 6 5 12 8 16 7 3 1 1 1 1 1 1 1 1 1 1 2 10 2 2 3 7 2 3 19 3 2 2 2 2 5 25 23 14 7 3 2 4 5 3 3 11 5 47 16 4 10 8 3 4 2 2 4 7 8 28 9 16 5 21 7 3 2 1 2 51 4 3 1 2 1 2 31 94 4 2 1 2 2 8 12 2 15 50 100 4 6 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 7 9 3 3 3 3 3 4 3 2 3 6 4 8 16 4 4 2 2 3 2 1 2 2 2 1 1 1 4 1 2 2 1 1 1 3 3 3 6 12 42 61 16 11 24 5 4 3 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 44 43 q 3H J 64 \| 23 22 s 3H \| 17 16 s 6H \| 16 16 s 6H \| 14 14 t 4H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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