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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
COC(=O)c1cc2c(OCC3CO3)cccc2n1Cc1ccc(Cl)c(Cl)c1	ir: 13 4 5 15 11 3 11 8 12 7 6 4 2 3 7 6 7 5 2 1 8 6 16 16 41 15 4 4 4 4 5 6 5 7 19 18 8 9 9 2 1 1 5 3 4 4 13 100 17 10 12 3 12 8 10 27 9 3 2 2 1 1 1 1 1 4 2 5 13 5 5 2 2 1 2 3 3 3 6 3 7 7 19 5 2 1 2 2 1 1 5 34 15 9 2 3 5 15 24 11 7 3 2 1 2 1 0 1 1 1 1 1 3 2 12 19 13 4 9 7 16 6 7 8 7 5 3 6 6 18 3 3 3 5 2 2 1 13 4 3 6 46 80 41 28 5 10 9 9 0 24 5 4 3 1 3 2 8 44 4 5 9 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 5 3 2 2 4 3 6 7 7 12 17 69 61 43 13 3 6 2 2 2 3 2 1 1 1 1 1 1 1 1 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1; 1HNMR: 76 76 s 1H \| 74 73 dt 1H J 8 65 \| 73 73 d 1H J 75 \| 73 72 dt 1H J 9 19 \| 72 71 m 2H \| 69 68 dt 1H J 8 75 \| 58 58 d 2H J 9 \| 43 42 dd 1H J 32 114 \| 40 40 dd 1H J 32 114 \| 38 38 s 2H \| 34 34 p 1H J 30 \| 29 29 dd 1H J 29 77 \| 28 27 dd 1H J 28 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(CS(=O)(=O)Cc1ccccc1)c1ccccc1	ir: 7 9 4 9 8 4 5 4 0 22 4 5 5 7 5 7 6 4 4 4 5 4 4 5 5 6 4 6 6 6 12 17 8 5 5 6 6 6 8 9 10 10 15 7 5 6 10 18 6 4 4 4 4 4 4 4 4 4 4 5 4 3 4 5 5 11 5 12 28 65 7 5 6 12 9 5 5 5 10 6 4 4 5 6 22 20 5 6 16 6 4 8 16 5 4 4 7 9 6 5 4 4 6 9 11 5 5 5 11 5 5 5 5 6 14 5 6 5 4 4 7 5 5 5 5 7 10 7 5 10 10 6 6 6 6 22 7 5 4 4 4 5 7 10 15 10 6 4 4 4 5 14 6 5 5 9 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 7 9 5 6 4 18 6 6 8 100 14 12 27 30 12 8 9 18 7 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 74 73 m 9H \| 73 72 m 2H \| 54 53 q 1H J 16 \| 52 52 q 1H J 14 \| 48 47 t 2H J 14 \| 43 42 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-n2cnc(/C=C/c3ccc(Cl)cc3)cc2=O)ccc1OCC(C)(C)O	ir: 11 13 15 8 4 7 6 4 1 9 16 38 4 3 5 3 2 8 22 9 3 4 5 4 5 6 7 6 3 2 2 6 4 4 4 2 6 8 9 33 7 4 3 21 2 4 13 1 2 5 4 15 49 97 34 13 7 9 6 4 24 23 14 16 18 14 42 20 35 32 30 6 4 3 6 10 77 31 29 17 17 10 5 3 2 4 5 4 4 7 2 8 10 15 14 39 30 12 32 7 8 25 16 8 12 17 17 8 5 7 5 2 2 1 2 2 4 3 4 2 2 4 5 4 8 6 6 2 7 5 13 5 5 4 1 3 9 14 13 5 3 7 43 11 7 5 4 13 6 8 14 7 12 10 4 9 2 4 11 6 3 14 39 17 8 2 1 3 7 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 2 1 1 1 2 1 0 1 2 2 1 2 4 2 1 1 2 1 1 2 4 2 1 3 8 9 6 12 29 100 42 61 46 30 11 11 13 18 63 17 4 2 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 87 s 1H \| 73 72 m 10H \| 69 69 d 1H J 83 \| 62 62 d 1H J 13 \| 40 39 s 2H \| 39 39 s 3H \| 32 32 s 1H \| 13 13 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-n2cc(Br)cn2)cc1	ir: 9 6 5 8 5 3 1 3 4 3 1 14 27 13 7 6 12 5 5 4 4 2 1 3 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 3 5 3 2 2 5 4 1 4 7 26 23 49 19 4 0 3 7 5 21 32 26 15 27 10 5 4 4 4 4 6 8 4 4 3 2 3 3 2 2 3 3 2 2 5 4 7 24 4 4 3 20 19 5 2 3 7 3 3 6 4 3 1 2 5 3 1 2 4 3 1 3 4 3 1 3 5 3 5 18 21 16 5 10 9 4 2 4 4 6 11 14 4 2 2 3 4 2 2 4 4 3 4 9 29 14 3 4 6 7 10 5 4 2 3 4 3 1 2 4 3 2 3 4 3 2 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 2 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 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 1 2 4 4 1 2 7 4 2 4 6 8 26 90 100 30 20 7 16 17 17 7 4 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 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2; 1HNMR: 82 82 s 1H \| 81 81 s 1H \| 76 75 m 2H \| 73 72 m 2H \| 24 24 d 3H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC(=O)c1sccc1C(=O)O	ir: 1 1 1 1 1 1 1 1 1 1 4 5 1 1 1 1 1 2 11 5 3 5 10 40 34 13 8 3 2 1 1 4 3 2 3 3 2 1 1 2 2 1 2 2 2 4 6 2 2 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 6 17 45 6 1 1 2 1 1 0 1 2 2 2 2 3 0 1 1 1 0 1 1 5 1 1 2 1 0 6 1 1 1 1 2 1 0 1 2 1 2 7 3 1 1 1 1 1 0 2 3 3 2 1 3 1 4 6 5 2 6 14 0 2 1 1 2 1 6 6 6 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 2 1 2 3 2 2 2 8 12 5 1 2 1 1 10 100 22 5 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 77 76 d 1H J 59 \| 75 75 d 1H J 57 \| 30 29 d 2H J 70 \| 23 21 dp 1H J 70 141 \| 10 9 d 6H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCOCCCO	ir: 7 11 10 11 7 17 20 16 5 5 1 6 7 4 2 3 3 4 1 2 2 1 1 1 1 1 1 1 1 1 0 1 2 1 1 2 1 2 3 5 2 1 1 2 2 1 2 4 2 1 1 2 2 2 2 2 1 0 2 6 3 2 4 3 5 14 5 3 14 7 4 7 7 7 4 2 2 2 3 5 5 2 8 6 7 1 10 11 28 100 68 35 26 11 10 6 7 4 2 3 2 2 2 2 1 3 3 3 5 4 4 5 1 2 3 3 1 3 2 9 3 2 2 3 2 3 4 1 1 4 2 3 2 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 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 1 1 1 0 1 1 1 1 2 3 2 3 3 4 3 1 1 2 1 2 3 9 14 11 3 2 1 1 1 2 2 9 20 17 13 2 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 37 36 m 2H \| 35 34 t 2H J 64 \| 34 34 t 2H J 61 \| 26 25 t 1H J 58 \| 19 18 p 2H J 64 \| 16 15 ttd 2H J 7 61 70 \| 15 14 dq 2H J 70 81 \| 14 12 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.
COc1ccc(CN(c2nccs2)S(=O)(=O)c2cc(Cl)c(F)cc2F)c(OC)c1	ir: 2 2 2 15 5 3 3 5 7 8 17 19 30 8 4 4 5 2 2 17 4 4 4 4 4 3 1 2 2 2 3 4 2 1 6 16 14 5 3 2 1 1 1 5 5 5 4 3 3 1 9 8 3 4 2 9 6 1 2 1 2 3 1 19 12 13 25 24 9 15 15 10 8 1 4 2 1 1 2 2 1 1 2 2 0 1 15 100 14 5 10 11 16 17 4 4 22 13 6 2 3 4 4 12 4 2 2 1 1 1 1 1 1 8 4 2 1 2 2 4 2 2 2 3 2 4 6 6 2 3 3 2 2 2 2 1 1 3 2 1 1 1 1 2 7 3 2 1 1 2 7 3 10 6 3 2 1 1 1 1 6 6 6 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 2 2 2 2 3 3 4 6 4 4 5 27 13 15 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 t 1H J 44 \| 73 72 d 1H J 49 \| 72 71 m 2H \| 67 67 d 1H J 49 \| 66 65 dd 1H J 24 86 \| 65 64 d 1H J 22 \| 51 51 d 2H J 9 \| 38 38 d 6H J 40	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C(N)=NO)cc(-c2ccc(F)cc2)n1	ir: 6 4 6 9 7 8 13 11 12 15 26 30 21 24 11 14 7 3 8 4 7 13 14 9 5 5 2 9 3 5 4 4 3 8 4 2 2 2 2 2 3 1 2 4 18 11 2 1 2 3 3 2 4 5 8 6 10 1 3 1 3 1 2 2 4 14 18 12 4 11 2 2 2 10 8 5 3 7 4 1 2 2 2 6 2 2 4 3 3 4 5 23 15 5 3 3 2 1 2 3 11 6 5 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 0 1 2 1 3 2 3 3 3 4 1 4 1 1 1 1 3 1 5 100 4 5 10 18 7 4 3 69 26 12 10 0 4 22 50 5 4 6 7 4 2 1 4 6 18 2 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 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 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 2 4 24 19 14 9 5 2 2 2 2 9 8 1 1 1 1 1 1 1 1 4 27 2 1 1 1 1 1 0 2 2 1 5 85 21 3 2 1 1 1 1 0 0 1 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 77 76 m 2H \| 77 76 s 2H \| 72 71 m 3H \| 56 56 s 2H \| 25 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN1C(=O)CN=C(c2cccc(C#N)c2)c2cc(OC)c(OC)cc21	ir: 4 4 2 2 3 3 1 2 3 2 2 8 6 6 5 11 7 4 6 5 4 3 3 2 3 6 2 10 8 4 7 24 2 6 33 47 5 2 5 7 5 7 9 2 3 1 10 5 7 1 1 3 2 1 5 4 2 8 5 1 2 3 6 7 3 2 5 22 12 21 12 4 8 3 4 4 13 6 3 4 3 3 1 1 0 1 2 3 1 1 2 1 3 11 2 2 1 2 2 1 0 1 2 1 3 3 3 4 3 8 6 1 3 3 7 13 14 13 8 4 7 20 11 7 3 17 22 12 5 4 6 2 1 1 2 2 2 1 2 4 11 4 7 40 36 8 8 56 5 4 28 4 4 10 15 48 7 3 2 0 1 2 1 0 24 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 2 7 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 1 1 2 2 3 2 1 2 3 1 3 4 13 9 25 15 100 11 10 10 3 2 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 79 t 1H J 15 \| 79 78 m 1H \| 76 76 m 2H \| 71 71 s 1H \| 69 69 s 1H \| 44 43 s 2H \| 42 41 t 2H J 69 \| 39 39 s 3H \| 39 39 s 3H \| 17 16 dtd 2H J 69 77 146 \| 11 10 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)NC(C)=O	ir: 1 1 2 1 0 1 3 3 8 9 3 4 3 3 1 2 1 4 4 7 5 1 1 1 1 2 3 2 6 3 3 3 9 28 36 15 6 6 1 1 1 1 2 1 1 1 1 0 0 1 1 1 1 1 1 4 4 2 1 0 1 2 2 2 2 3 2 1 5 9 12 7 21 12 2 3 2 2 1 2 8 12 5 1 1 1 1 1 1 1 1 1 1 1 3 2 3 4 1 1 1 1 0 1 1 1 1 2 1 11 10 7 10 2 2 6 7 14 13 22 27 29 23 28 44 10 4 6 23 17 3 2 1 1 0 2 2 1 2 6 7 6 23 67 100 90 66 27 13 12 3 0 1 2 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 4 3 1 1 1 1 1 2 2 2 11 7 7 9 18 15 15 6 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 9 9 12 16 11 15 22 25 11 2 1 0 1 1 0 0 1 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: 76 76 d 1H J 84 \| 45 44 dq 1H J 60 84 \| 37 37 s 3H \| 20 20 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.
CCOC(=O)c1cc2cc(Cc3ccc(Cl)cc3)sc2[nH]1	ir: 4 6 6 3 6 5 9 10 8 5 6 4 3 7 5 2 10 7 6 2 0 11 41 100 54 4 5 6 3 1 2 5 4 5 2 3 5 2 2 3 4 9 4 62 43 9 6 9 7 4 13 9 7 1 20 81 26 13 3 0 2 5 15 1 2 3 2 2 5 3 3 3 6 5 19 14 25 50 8 3 3 1 2 3 1 5 4 4 8 3 3 5 14 17 82 8 0 1 7 60 32 6 0 2 3 2 0 2 3 2 1 16 14 24 12 25 33 7 7 5 4 4 4 15 7 17 10 5 4 15 5 3 3 3 2 2 2 2 2 2 2 3 31 64 26 13 11 15 6 17 10 3 5 3 3 2 2 2 2 3 4 4 2 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 1 2 2 2 2 1 1 2 1 2 1 2 1 1 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 4 2 2 2 3 4 6 3 2 2 3 3 5 37 13 27 52 37 32 58 37 16 12 9 5 2 4 3 2 2 2 2 2 2 3 3 2 2 2 3 11 8 8 6 55 61 15 5 5 3 1 2 2 2 1 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 94 94 s 1H \| 74 74 d 1H J 22 \| 73 73 m 2H \| 72 71 dt 2H J 9 80 \| 71 70 dt 1H J 9 20 \| 44 43 q 2H J 64 \| 43 42 q 2H J 9 \| 14 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CO[C@@H]2CCC(F)(F)C[C@H]2N1C1CCNCC1	ir: 7 25 3 1 2 3 2 2 4 3 11 7 4 2 3 2 3 18 3 1 1 3 5 2 27 4 5 15 4 2 2 1 16 2 5 1 1 1 4 5 2 1 2 1 2 2 2 4 9 11 75 19 73 72 34 22 6 8 22 6 3 4 30 5 2 3 17 3 5 18 8 1 4 2 3 3 3 38 4 1 1 2 2 1 1 1 1 9 8 4 2 5 2 1 6 7 2 2 1 3 2 10 4 3 4 5 4 35 21 32 32 21 8 10 12 11 36 40 37 9 19 15 31 21 2 7 7 11 19 44 22 3 4 8 10 3 4 3 2 1 1 1 1 2 4 3 3 1 4 100 4 4 3 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 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 0 1 1 1 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 1 2 2 1 1 2 1 1 1 2 1 1 1 5 11 24 17 7 4 2 3 9 3 11 33 4 4 2 1 2 2 2 1 1 1 1 1 1 1 1 1 2 2 2 4 4 27 48 6 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 43 42 m 2H \| 41 41 d 1H J 137 \| 40 39 dddt 1H J 29 49 69 77 \| 38 38 td 1H J 40 70 \| 32 31 p 1H J 42 \| 31 30 dddd 2H J 28 42 55 134 \| 29 28 dddd 2H J 28 43 57 134 \| 25 23 dtd 1H J 77 126 159 \| 23 19 m 6H \| 18 17 m 1H \| 18 17 m 1H \| 17 16 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)SCC(CC(=O)c1ccc(Br)cc1)C(=O)O	ir: 9 5 11 2 5 5 7 6 3 11 14 12 11 16 14 13 6 6 8 13 40 90 30 2 3 5 7 6 3 2 4 1 2 7 6 5 8 9 5 3 5 5 5 16 21 11 15 4 2 4 1 0 4 6 12 37 20 4 9 14 6 2 2 0 1 2 2 5 8 5 4 2 3 3 2 4 5 14 56 30 14 4 3 11 11 4 7 5 3 2 1 1 3 1 2 12 9 4 0 2 2 2 1 9 13 9 4 5 8 4 0 5 9 13 39 5 10 10 8 14 15 9 8 7 17 9 5 11 18 10 10 10 8 7 9 6 4 29 23 11 17 18 18 100 3 6 6 27 11 10 11 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 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 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 1 2 1 2 3 4 5 5 5 3 2 11 7 9 26 26 30 64 80 16 6 3 4 4 4 1 1 4 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 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 m 2H \| 76 76 m 2H \| 35 34 m 1H \| 33 32 m 3H \| 30 29 m 1H \| 26 26 q 2H J 72 \| 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.
COc1ccc2c(c1)C(C1CCC1)=NCC2	ir: 2 3 4 2 4 10 14 23 11 4 15 7 4 2 6 3 6 3 3 4 7 5 3 2 2 2 3 3 5 2 1 1 2 4 3 3 1 1 11 3 8 3 1 1 1 1 1 2 2 5 4 6 9 52 41 23 4 3 4 4 19 6 3 9 34 37 18 10 9 20 28 23 10 2 5 2 2 1 2 1 1 2 2 1 3 2 29 7 3 3 2 7 8 7 5 2 0 2 11 11 14 51 79 13 7 5 1 2 3 8 2 4 4 7 3 5 4 2 3 3 1 4 12 7 10 21 6 7 12 8 4 2 4 12 6 8 6 4 3 2 4 8 3 3 3 16 49 60 29 7 14 35 12 10 7 3 2 2 2 1 1 1 1 3 4 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 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 1 1 1 2 2 3 2 4 5 7 6 18 3 8 13 8 17 20 95 31 100 95 47 5 3 4 4 2 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 71 71 dd 1H J 26 85 \| 71 70 dt 1H J 9 84 \| 70 69 d 1H J 26 \| 40 39 m 2H \| 38 38 s 2H \| 32 31 m 1H \| 30 29 dddd 2H J 8 20 55 65 \| 21 20 m 2H \| 18 17 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nccc(Oc3cc(C)c(NC(=O)OC4CCN(C)CC4)cc3C)c2cc1OC	ir: 2 6 5 5 14 18 11 9 5 4 4 3 2 3 3 1 4 7 5 4 1 3 3 12 9 10 10 4 13 11 14 7 18 26 12 9 16 6 8 5 6 4 4 4 2 3 2 1 2 15 22 3 11 2 2 3 3 4 2 2 7 4 3 5 6 8 9 20 73 16 28 18 7 14 12 6 6 3 6 5 13 26 5 6 1 2 1 2 2 2 3 7 4 6 7 4 4 18 37 22 9 12 6 4 6 4 4 6 5 3 2 6 4 4 2 6 4 5 4 5 7 5 3 4 3 4 4 5 8 2 3 8 2 5 6 5 4 12 9 5 3 2 1 3 16 22 10 39 10 14 7 8 26 23 27 24 23 12 13 100 5 1 2 8 3 0 6 9 2 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 3 1 1 2 3 3 4 3 2 4 4 2 5 12 11 9 33 48 64 9 9 4 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 3 1 1 21 71 54 18 4 2 2 2 0 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 86 85 d 1H J 49 \| 77 76 s 1H \| 74 74 d 1H J 7 \| 74 74 s 1H \| 70 69 d 1H J 49 \| 69 68 s 1H \| 67 66 s 1H \| 49 48 p 1H J 45 \| 39 39 s 3H \| 39 38 s 3H \| 29 28 ddd 2H J 61 88 119 \| 27 26 ddd 2H J 60 88 119 \| 24 23 d 5H J 169 \| 22 22 s 3H \| 22 21 dddd 3H J 46 62 90 132 \| 19 18 dddd 3H J 44 61 88 132	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1oc2ccccc2c1CNS(N)(=O)=O	ir: 4 3 3 1 4 2 6 3 3 4 4 4 1 2 2 2 1 2 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 2 19 9 4 7 4 3 3 1 4 3 3 0 7 12 8 4 4 4 1 2 3 0 3 2 1 3 5 2 8 7 18 8 10 4 23 4 6 4 4 3 6 6 8 8 14 22 28 27 15 14 15 10 11 6 8 6 6 8 7 8 9 10 6 3 3 8 1 5 2 3 5 1 5 11 4 5 5 12 11 7 12 6 8 11 4 8 3 4 3 4 3 1 3 4 5 19 0 3 4 3 8 7 5 3 6 5 3 2 6 3 2 5 2 4 4 5 4 5 5 6 5 12 8 13 6 6 7 5 3 5 4 2 2 3 1 2 1 2 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 1 1 1 0 1 2 2 3 1 6 18 9 6 1 1 1 1 1 1 1 1 2 0 2 3 2 5 4 7 11 25 100 26 16 9 23 15 4 4 3 1 1 1 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 dd 1H J 15 89 \| 75 74 dd 1H J 14 67 \| 74 73 ddd 1H J 13 68 87 \| 73 72 td 1H J 16 90 \| 66 65 t 1H J 84 \| 54 53 s 2H \| 46 45 d 2H J 83 \| 23 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(C2CCN(c3cnn4c(CC5CC5)nnc4c3Cl)CC2)cc1	ir: 1 3 16 13 28 15 18 8 6 4 5 4 2 4 36 4 4 5 3 3 2 6 9 9 4 3 4 23 4 3 3 6 13 7 16 27 19 14 3 5 8 47 7 2 2 5 2 2 4 11 4 1 7 17 85 72 26 13 15 10 11 5 2 0 3 9 13 11 12 20 3 2 2 2 2 2 5 10 11 28 5 3 3 5 6 14 14 10 7 16 27 7 4 12 9 65 23 20 20 11 10 7 7 3 5 9 20 11 17 84 8 8 8 8 4 6 7 13 16 13 17 9 2 6 10 6 3 21 8 6 3 11 8 11 14 12 49 8 5 2 3 4 4 3 59 3 13 97 20 38 9 21 26 2 2 4 3 2 4 3 3 4 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 2 1 3 2 1 2 2 2 1 3 6 10 9 6 5 6 5 10 30 28 28 36 9 30 100 33 29 8 13 17 10 7 2 2 3 4 2 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 82 82 s 1H \| 72 72 m 2H \| 71 70 m 2H \| 37 36 ddd 2H J 56 83 115 \| 35 34 ddd 2H J 57 84 115 \| 29 29 d 2H J 54 \| 28 27 m 1H \| 22 21 ddt 2H J 55 82 132 \| 20 19 ddt 2H J 56 82 130 \| 17 16 m 1H \| 8 7 m 2H \| 5 5 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC(C#N)CC1)C(C)(C)C	ir: 3 7 12 7 5 8 9 5 1 8 10 3 2 6 9 5 3 15 20 5 3 8 10 7 8 10 9 2 5 21 73 42 6 7 11 9 8 8 10 2 6 15 8 8 5 8 5 1 4 6 4 1 5 10 9 2 6 9 6 0 4 12 9 8 12 11 4 1 5 8 3 1 5 7 7 4 6 6 2 1 5 6 2 1 5 6 7 6 6 5 2 2 6 5 3 5 8 6 8 9 10 7 2 6 12 14 26 18 11 7 4 6 10 5 0 5 11 9 6 8 11 15 9 9 10 5 7 10 9 14 8 13 15 7 4 7 20 21 3 9 9 7 36 24 14 6 4 8 35 66 34 9 6 2 2 6 5 2 3 6 4 0 3 6 4 0 3 6 4 1 3 7 3 0 4 6 3 0 4 11 5 0 4 6 2 1 4 5 2 1 4 5 2 1 4 5 2 1 5 5 2 2 5 5 1 2 5 4 1 2 5 4 1 2 5 4 1 3 6 4 1 3 6 3 0 3 6 3 0 3 6 3 1 4 6 3 1 4 6 3 1 4 5 2 1 4 5 2 1 4 5 2 1 5 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 7 6 5 5 7 6 4 6 6 5 4 5 13 10 17 43 22 6 2 4 6 3 1 4 6 3 1 4 6 3 2 4 5 3 1 4 5 3 2 6 8 15 67 100 20 5 3 5 4 2 3 5 4 2 2 5 4 2 3 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 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 3 1 3 5 3 1 3 5; 1HNMR: 57 57 d 1H J 93 \| 44 44 ddq 1H J 16 31 95 \| 38 38 ddd 2H J 44 71 115 \| 35 34 ddd 2H J 44 72 115 \| 27 26 p 1H J 47 \| 20 19 ddt 2H J 46 71 119 \| 18 17 ddt 2H J 46 71 119 \| 14 14 s 7H \| 10 10 d 9H J 16	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(CC(O)(CNc1cccc2[nH]ncc12)C(F)(F)F)c1cccc2c1OCC2	ir: 5 15 28 21 12 13 1 6 5 5 5 6 2 11 12 10 15 17 14 9 8 11 5 5 2 3 1 3 1 2 6 5 5 5 5 4 6 9 5 2 1 6 3 3 2 7 25 46 17 5 5 6 3 2 3 1 1 1 1 2 2 1 1 3 6 4 5 0 2 3 2 2 2 1 1 3 1 3 3 17 34 5 3 2 8 2 36 2 2 4 1 1 5 2 11 100 21 13 26 6 3 5 7 7 5 2 1 3 13 8 5 35 5 8 1 4 3 3 2 3 5 4 1 4 6 9 5 12 5 4 1 3 6 2 1 3 20 6 9 4 14 7 17 4 2 3 3 9 36 4 3 2 1 1 1 4 1 2 1 9 36 65 2 1 1 0 1 0 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 2 1 2 4 2 1 1 2 2 6 6 13 11 11 46 42 13 2 3 1 2 2 42 2 1 1 1 1 1 1 1 1 2 1 2 2 6 16 21 23 38 23 7 5 3 2 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 85 84 s 1H \| 78 77 t 1H J 75 \| 74 73 dd 1H J 13 88 \| 73 72 dd 1H J 79 88 \| 71 71 dd 1H J 13 79 \| 71 70 dq 1H J 10 75 \| 70 69 t 1H J 77 \| 69 68 dd 1H J 14 79 \| 44 44 m 4H \| 40 39 ddq 1H J 25 74 138 \| 38 37 ddq 1H J 26 76 137 \| 31 31 td 2H J 9 42 \| 21 21 dq 1H J 24 141 \| 19 18 dq 1H J 24 141 \| 15 14 s 3H \| 14 13 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1CCN(c2ccc(-c3ccc(C#N)c(=O)[nH]3)cc2)CC1	ir: 3 6 12 4 4 7 7 5 1 6 8 4 4 13 9 4 2 5 6 3 3 9 22 10 0 6 6 1 4 16 13 2 5 8 5 3 5 8 7 7 9 18 6 2 4 11 8 6 28 100 57 15 13 10 51 30 11 16 23 4 15 6 9 13 11 10 4 5 26 9 14 4 6 6 3 3 4 5 3 7 21 19 11 21 12 16 4 6 8 7 3 2 5 5 3 3 7 8 7 8 16 18 4 4 6 4 3 4 10 4 3 5 6 4 1 4 9 5 2 5 8 5 3 5 8 3 2 6 5 3 1 5 6 4 6 5 6 4 5 6 6 1 1 6 8 5 61 58 15 12 9 9 20 17 7 36 21 6 7 7 46 36 6 7 10 96 9 5 3 0 3 6 3 0 3 5 3 0 3 5 2 0 2 6 3 1 4 5 2 1 4 4 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 4 1 2 5 3 1 2 5 3 1 2 5 3 0 3 5 3 0 3 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 1 1 4 4 1 2 4 4 1 2 4 4 2 2 4 4 1 2 6 4 2 5 5 4 1 3 6 5 6 16 16 24 3 41 14 15 12 5 12 5 1 4 5 3 1 3 5 2 2 4 5 3 2 5 7 13 31 19 15 5 5 6 5 3 4 5 4 2 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 1 2 5 3 0 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5; 1HNMR: 78 78 d 1H J 77 \| 77 76 m 2H \| 73 73 d 1H J 77 \| 68 67 m 2H \| 34 34 m 1H \| 34 34 s 8H \| 25 24 q 2H J 70 \| 11 10 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl	ir: 1 1 1 1 2 2 5 4 1 2 5 4 7 13 8 4 6 11 11 14 26 30 13 8 5 14 8 9 11 5 3 4 2 2 1 3 2 2 6 6 2 2 1 2 2 8 15 23 3 2 2 2 1 2 6 5 2 4 8 2 1 1 1 1 0 2 5 8 2 1 1 1 1 2 3 5 5 5 46 25 16 16 6 6 6 12 5 1 1 1 1 7 5 2 2 3 3 4 6 5 6 2 2 10 5 1 1 1 2 0 0 0 1 0 1 1 2 1 1 3 3 1 1 1 1 2 0 2 11 8 2 3 1 1 1 1 2 6 10 4 3 3 5 17 9 4 1 2 2 3 7 21 17 8 5 0 0 11 9 1 1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 3 1 5 5 9 3 1 2 1 3 14 100 47 8 2 0 2 2 1 0 1 1 0 0 3 16 39 15 22 17 2 2 0 1 1 1 0 1 0 1 1 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; 1HNMR: 74 74 d 2H J 81 \| 72 72 s 1H \| 71 71 t 1H J 81 \| 67 67 dt 1H J 9 20 \| 66 65 dd 1H J 21 85 \| 64 63 d 1H J 85 \| 59 59 s 1H \| 37 37 d 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(Cn2cc(Br)c3ccccc32)cc1	ir: 2 1 1 0 0 1 1 1 0 2 1 2 1 1 1 1 1 2 4 7 2 1 1 1 0 1 1 0 0 1 0 0 0 1 1 0 1 2 1 0 0 57 100 23 2 1 1 2 4 5 2 3 3 3 17 21 12 3 1 1 1 1 1 3 2 3 6 13 2 7 1 2 3 8 8 2 1 0 0 0 0 0 1 1 0 1 1 1 1 0 2 3 2 5 12 8 3 2 2 2 6 3 7 9 2 3 8 5 1 0 0 1 1 1 2 1 2 1 2 2 1 1 2 3 11 6 4 2 1 1 1 1 0 0 0 0 0 1 6 3 2 0 1 4 15 8 3 0 16 5 5 3 8 5 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 1 1 1 3 4 6 8 5 37 74 42 13 38 3 2 3 1 2 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; 1HNMR: 80 79 m 1H \| 76 76 m 1H \| 75 75 q 1H J 7 \| 73 72 m 2H \| 72 71 dp 2H J 9 71 \| 70 70 dt 2H J 9 74 \| 55 55 q 2H J 9 \| 27 26 qt 2H J 9 73 \| 12 12 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ON1C(c2ccccc2)CC2(CC1c1ccccc1)OCCO2	ir: 14 5 4 7 5 9 3 12 9 5 1 2 3 2 3 2 9 4 5 8 3 5 2 1 3 2 4 6 5 6 12 57 5 4 3 5 5 9 16 16 10 37 19 4 9 4 6 4 3 1 2 4 2 1 1 1 2 7 7 2 2 4 5 6 2 3 5 20 6 38 5 5 16 9 5 5 4 1 5 4 3 2 8 7 6 12 17 23 34 14 21 6 8 14 10 5 100 49 8 6 2 2 2 2 2 3 5 4 5 2 3 2 3 7 6 2 1 3 2 5 3 8 9 6 3 5 3 2 5 5 8 9 12 11 8 43 39 5 4 5 2 3 8 37 23 10 4 2 2 2 1 6 11 4 1 1 1 1 1 1 1 1 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 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 2 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 3 4 5 2 2 3 5 2 6 9 14 16 32 95 36 16 5 6 3 3 5 24 14 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 74 72 m 11H \| 65 64 s 1H \| 43 42 td 2H J 8 66 \| 39 39 s 3H \| 24 24 dd 1H J 66 139 \| 23 23 d 2H J 66 \| 22 21 dd 1H J 66 139	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-c2nc3ccc(Cl)cn3c2-c2ccnc(Br)c2)n1	ir: 0 2 4 4 7 13 4 4 3 2 11 2 1 4 8 4 9 12 8 2 2 2 6 2 1 3 2 4 8 24 10 15 9 12 8 3 3 2 2 2 1 3 27 5 11 20 100 45 22 13 5 2 3 10 2 2 3 11 20 55 7 10 7 19 38 35 15 42 20 3 9 9 10 9 10 15 5 12 54 29 35 16 5 25 5 3 2 7 9 4 1 4 3 3 10 2 2 1 1 1 28 57 8 9 23 6 0 3 3 1 1 3 4 2 3 7 5 3 4 18 17 24 12 5 2 5 9 4 2 4 2 3 21 11 42 10 14 16 94 5 5 7 24 25 35 24 23 64 39 28 6 7 8 28 12 44 17 4 15 10 8 4 92 5 6 2 1 2 1 1 1 2 1 0 1 2 1 1 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 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 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 2 3 2 2 2 2 2 2 2 2 4 2 5 2 12 7 6 15 25 96 79 97 64 15 14 21 3 2 4 4 6 3 2 4 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 85 84 d 1H J 38 \| 83 83 d 1H J 15 \| 79 79 dd 1H J 13 82 \| 79 78 d 1H J 22 \| 78 77 dd 1H J 75 82 \| 77 77 dd 1H J 22 39 \| 76 76 d 1H J 86 \| 76 75 dd 1H J 13 88 \| 75 74 ddt 1H J 8 15 75 \| 26 26 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C)c(Cl)c(NCc2cccc(OCc3ccccc3)c2)n1	ir: 4 10 16 7 19 12 19 7 3 4 4 3 2 9 14 8 4 4 4 2 2 3 3 3 8 21 15 10 4 8 5 6 5 3 4 1 2 4 8 16 19 13 6 2 27 21 5 22 5 0 2 4 3 1 3 4 2 1 2 3 3 2 2 4 6 7 6 5 16 5 5 6 14 13 5 5 4 8 4 4 3 2 2 3 2 2 9 4 4 14 6 3 2 3 2 4 2 5 4 3 2 2 2 3 2 3 2 3 2 3 10 2 2 3 4 2 5 11 19 8 5 5 5 6 5 4 7 5 5 7 3 3 3 3 6 8 6 10 18 7 10 10 9 22 18 4 3 9 55 18 8 10 73 100 7 17 7 3 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 2 3 4 3 3 3 2 3 3 4 5 7 7 9 70 17 8 3 5 3 2 2 3 2 2 2 3 3 4 2 3 2 5 5 4 2 3 7 13 34 11 5 10 14 3 4 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 74 m 2H \| 74 73 m 2H \| 73 73 m 1H \| 72 72 t 1H J 80 \| 70 69 m 1H \| 69 68 m 2H \| 67 66 t 1H J 55 \| 51 50 t 2H J 9 \| 48 47 dt 2H J 9 55 \| 25 24 d 6H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCc1c(C(=O)O)sc2c(Br)csc12	ir: 1 1 0 1 1 1 1 1 1 2 2 2 1 2 2 2 2 1 0 1 4 6 6 100 93 8 2 0 3 3 2 1 0 1 1 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 8 13 2 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 2 3 7 46 5 1 1 3 5 1 1 1 0 0 1 1 1 2 2 1 0 0 1 1 1 2 2 1 0 0 1 1 1 1 2 3 2 1 1 2 2 2 2 3 13 5 4 3 1 1 1 1 1 2 2 1 3 1 6 2 1 1 1 1 1 1 1 10 4 1 1 0 1 1 1 1 1 0 1 22 29 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 6 4 1 1 1 2 4 3 1 1 1 2 13 36 23 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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; 1HNMR: 74 73 s 1H \| 31 30 t 2H J 77 \| 17 16 m 2H \| 15 14 dq 2H J 66 80 \| 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.
C#CCCCCCOS(=O)(=O)c1ccc(C)cc1	ir: 2 2 2 4 6 3 5 5 9 24 17 9 5 3 3 5 5 2 2 1 1 1 1 3 8 1 1 1 1 1 1 6 3 13 6 2 1 2 3 3 1 1 3 3 4 4 3 1 1 0 1 4 11 27 5 1 2 2 2 2 2 1 4 9 12 17 11 13 6 9 16 15 3 3 1 2 10 12 7 16 7 17 2 2 20 2 2 4 100 5 2 2 7 45 18 2 1 1 1 2 2 1 0 0 1 0 1 1 1 2 5 2 2 2 2 1 1 1 2 4 5 2 1 4 6 11 4 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 9 5 3 2 1 2 1 0 1 1 1 0 0 0 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 1 2 2 1 2 1 1 2 2 6 7 12 12 8 3 3 2 1 4 1 0 1 1 0 0 0 0 0 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H \| 75 74 m 2H \| 41 40 t 2H J 66 \| 24 24 d 3H J 9 \| 21 21 td 2H J 25 58 \| 20 20 t 1H J 25 \| 18 17 p 2H J 66 \| 16 15 pd 2H J 7 58 \| 15 14 pd 2H J 11 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cc(C)nc(CC(C)C)c1	ir: 1 4 1 1 2 2 1 1 1 1 1 2 2 1 1 12 2 1 2 7 18 4 1 4 11 46 4 0 1 32 47 2 1 1 2 2 1 1 1 2 1 1 1 1 3 2 2 1 2 2 6 2 1 1 2 1 1 1 1 2 2 0 6 9 13 13 19 34 15 13 16 3 6 4 2 2 2 4 2 1 3 2 2 1 1 1 1 1 2 1 1 1 1 2 1 3 3 3 4 5 3 2 1 1 2 2 1 4 4 8 29 3 0 3 2 2 5 4 13 5 6 4 2 4 9 17 16 8 7 15 14 14 4 11 5 3 1 3 3 1 5 17 100 11 33 4 1 2 2 1 1 1 1 1 1 13 4 2 1 2 2 3 48 1 1 2 2 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 4 2 2 2 5 5 4 4 6 6 12 7 5 7 19 7 10 56 22 11 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 2H \| 28 28 dd 2H J 9 68 \| 27 26 s 3H \| 25 25 s 3H \| 22 20 m 1H \| 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.
C#CC[C@@H]1COC(=O)N1CC=C	ir: 6 7 12 9 22 21 22 14 8 7 11 11 4 11 8 5 9 13 21 34 17 12 13 6 4 7 7 3 3 7 7 5 6 8 8 4 3 7 7 4 10 8 5 2 3 7 5 2 5 8 6 1 5 8 6 3 6 9 5 6 7 9 15 10 8 8 8 10 14 11 19 21 17 17 7 12 11 19 42 42 14 9 8 8 8 10 7 11 8 10 5 6 7 7 7 5 8 7 3 4 6 7 4 7 11 12 15 8 8 8 8 15 10 14 6 14 32 17 57 55 46 15 7 12 9 6 7 8 16 12 16 24 13 7 7 6 14 12 11 13 14 4 3 6 6 4 4 4 4 16 31 100 9 0 3 8 6 1 4 8 5 1 4 7 4 0 4 7 4 1 4 7 4 1 4 8 8 2 4 7 3 1 6 6 3 2 5 6 3 2 5 6 3 2 5 5 3 2 5 5 2 3 6 5 2 3 5 5 2 3 6 5 2 3 6 4 2 3 6 4 1 4 6 4 1 4 6 4 1 4 6 4 1 4 6 3 2 4 6 3 2 4 6 3 2 5 6 3 2 5 5 3 2 5 6 3 3 5 5 3 3 5 5 3 3 6 5 3 4 6 5 3 6 8 8 7 7 11 12 6 16 33 18 16 20 14 18 11 7 17 12 12 10 12 10 6 8 7 5 3 5 5 5 17 41 69 4 3 5 5 3 3 5 5 3 3 5 5 2 3 5 5 2 3 5 4 2 3 5 4 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 5 5 3 3 5 5 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 6; 1HNMR: 59 57 ddt 1H J 59 116 171 \| 53 52 ddt 1H J 13 24 167 \| 52 51 m 1H \| 43 42 m 2H \| 41 40 m 2H \| 39 39 tdd 1H J 24 42 53 \| 28 27 ddd 1H J 26 55 101 \| 26 25 ddd 1H J 25 53 99 \| 20 20 t 1H J 25	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C1NC(=O)C(C(C)C)NC1=O	ir: 1 1 0 1 1 2 3 3 6 1 1 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 10 31 100 8 1 1 7 6 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 6 2 1 0 1 1 1 0 2 3 4 2 1 1 1 1 4 3 1 1 1 2 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 2 3 4 2 1 2 5 4 1 3 15 5 1 1 1 2 1 1 3 2 2 2 1 1 1 3 1 1 2 6 16 7 5 3 7 2 1 0 1 1 0 0 1 1 0 0 1 2 0 5 17 68 24 10 1 3 3 2 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 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 2 2 2 2 2 7 6 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 2 3 16 22 11 37 13 4 7 7 3 1 1 1 1 0 1 0 0 0 0 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 64 63 d 2H J 84 \| 40 39 dddq 2H J 15 29 60 86 \| 22 21 pd 2H J 56 65 \| 10 9 m 12H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(N2CCSc3cc(F)c(NC(=N)c4cccs4)cc32)CC1	ir: 1 8 7 7 3 9 2 4 1 10 12 10 7 11 6 9 12 10 10 11 15 14 35 15 13 2 3 4 7 17 5 2 4 3 6 3 3 9 15 14 32 5 4 1 2 3 1 1 1 2 1 8 3 2 1 0 1 2 2 2 1 3 2 1 2 2 2 4 3 3 10 1 3 1 2 2 4 6 40 25 5 6 33 8 2 2 4 2 0 1 1 14 4 30 7 3 2 2 1 1 3 7 11 4 9 4 5 8 5 1 4 14 4 4 2 2 6 6 13 5 4 6 10 8 18 8 8 6 9 4 4 18 6 10 2 3 4 3 8 19 3 4 3 5 53 7 40 5 2 0 6 37 4 18 23 1 11 3 1 1 1 1 1 1 1 12 2 1 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 0 0 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 3 2 3 3 2 3 1 2 2 4 9 24 8 3 24 5 14 7 8 1 1 1 1 1 1 1 1 1 4 4 69 4 2 4 4 1 1 4 11 100 19 3 1 1 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 1 0 0 1 0 0 1 0 1 0 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 dd 1H J 16 53 \| 80 80 dd 1H J 17 61 \| 74 73 m 3H \| 70 69 d 1H J 43 \| 68 68 d 1H J 121 \| 41 40 p 1H J 56 \| 39 38 m 2H \| 38 37 ddd 2H J 53 81 121 \| 34 33 ddd 2H J 53 80 123 \| 31 30 m 2H \| 22 21 ddt 2H J 54 81 117 \| 19 19 ddt 2H J 54 81 119 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn(Cc2ccc(CCl)cc2)nc1C(F)(F)F	ir: 10 6 5 6 6 7 5 4 3 4 4 5 4 5 11 9 4 5 4 4 5 3 3 4 7 4 4 3 3 4 4 5 7 11 34 5 5 3 6 5 5 6 5 8 5 5 3 3 4 4 4 4 6 5 6 37 20 3 13 17 10 4 4 3 4 3 3 4 5 12 4 3 6 5 5 4 4 4 3 3 4 4 3 20 15 3 3 3 4 7 4 4 17 11 9 22 7 5 7 42 7 4 4 5 28 4 3 4 6 3 3 6 6 8 3 5 6 6 8 25 16 6 6 8 5 7 5 5 18 4 4 3 4 5 3 4 4 3 2 4 4 3 39 5 5 2 3 22 6 0 7 100 2 5 4 3 4 5 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 4 4 6 5 4 3 3 3 4 5 6 13 12 16 55 10 28 13 4 4 5 4 4 5 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 3 3; 1HNMR: 79 79 d 1H J 11 \| 72 72 s 4H \| 54 54 s 2H \| 46 46 s 2H \| 44 43 q 2H J 64 \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](Oc1cc(C(=O)O)ncc1C1CC1)C(F)(F)F	ir: 4 3 2 3 4 7 7 4 4 6 3 3 4 4 5 5 10 9 3 3 3 7 69 86 10 3 2 4 11 7 3 4 3 4 7 5 9 5 5 5 9 5 3 3 3 2 3 3 2 2 3 3 3 2 3 5 15 3 3 3 4 2 3 4 4 8 18 18 11 3 2 3 4 4 3 4 8 17 17 12 12 2 4 6 3 3 4 4 5 8 5 4 2 2 5 3 2 3 37 5 4 4 13 8 4 2 4 3 1 4 7 13 3 4 3 17 14 6 4 12 9 4 4 5 2 3 3 2 3 3 3 2 2 2 3 2 3 5 3 4 3 4 19 7 3 7 9 4 5 4 7 3 2 3 3 2 2 3 3 2 5 3 3 11 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 2 2 2 3 3 2 3 3 4 5 4 6 10 5 12 8 8 4 9 7 3 3 2 0 54 100 9 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 85 85 d 1H J 7 \| 79 78 s 1H \| 49 48 qq 1H J 53 81 \| 30 29 pd 1H J 7 63 \| 13 13 dq 3H J 35 83 \| 10 9 m 2H \| 9 8 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1oc(-c2ccccc2)nc1COc1cccc(NS(=O)(=O)C(F)(F)F)c1	ir: 9 8 7 8 20 6 11 16 14 11 14 17 16 13 5 14 5 12 10 8 2 6 7 12 14 17 16 9 6 21 32 24 21 10 21 25 24 23 16 29 33 19 13 3 5 3 7 3 5 3 10 22 26 15 6 12 5 1 3 4 4 9 6 3 7 27 51 54 84 49 13 8 3 2 3 4 6 13 6 8 1 5 3 5 12 96 35 4 6 9 3 3 13 41 4 5 12 18 14 19 24 32 8 3 8 16 38 58 9 4 2 2 2 1 1 2 1 7 7 10 6 6 50 37 12 5 2 4 5 9 5 13 17 15 8 19 5 5 6 3 11 8 12 15 12 5 6 1 1 1 1 6 17 5 13 17 19 7 1 1 1 5 8 1 1 2 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 2 1 1 1 2 2 2 2 2 2 3 3 3 3 9 14 38 79 48 12 6 3 9 3 1 1 2 1 1 1 1 1 1 1 1 1 2 2 2 4 3 7 14 26 100 75 8 1 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 100 100 s 1H \| 80 79 m 2H \| 75 74 m 3H \| 72 71 m 2H \| 69 69 t 1H J 21 \| 68 67 dt 1H J 20 73 \| 53 53 s 2H \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1	ir: 1 1 1 2 3 2 2 4 3 5 1 8 3 2 1 1 2 2 5 5 1 1 1 1 1 0 1 1 2 1 1 1 2 3 1 2 1 3 10 3 4 6 2 2 1 1 1 2 1 1 4 2 1 3 2 9 3 0 1 2 1 0 2 1 1 2 2 3 6 12 2 2 0 4 5 6 4 6 2 3 2 2 2 4 6 9 14 11 7 5 16 12 10 7 6 3 3 3 6 1 1 2 1 1 1 2 2 3 1 1 1 1 0 1 1 1 2 2 2 4 4 6 5 2 6 3 2 1 1 6 6 5 2 2 3 8 2 1 2 1 1 2 5 37 4 5 3 3 1 1 3 4 3 2 4 1 1 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 1 1 1 1 1 3 1 1 1 3 2 1 3 3 8 8 6 4 12 7 7 9 33 14 5 4 4 3 6 16 100 14 2 1 2 1 1 1 1 1 1 1 1 1 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 4H \| 73 72 m 2H \| 72 71 ddt 1H J 9 20 88 \| 71 70 d 1H J 88 \| 46 46 dd 2H J 10 57 \| 42 41 td 1H J 9 67 \| 34 33 hept 2H J 62 \| 28 27 m 2H \| 27 26 dt 1H J 71 119 \| 24 24 t 1H J 57 \| 24 23 m 1H \| 22 21 dq 1H J 72 132 \| 13 13 d 5H J 72 \| 11 11 dd 12H J 17 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc2c(c1)c(=O)c(O)cn2C	ir: 2 2 4 3 9 4 4 6 6 3 2 4 4 2 2 16 45 67 30 12 6 5 4 6 2 2 1 2 1 2 1 2 3 2 2 1 1 0 1 1 2 0 2 7 39 6 2 1 1 0 1 1 2 1 21 8 2 0 1 1 1 2 7 9 4 1 1 4 2 3 2 3 5 6 2 3 2 4 4 2 3 2 3 2 7 5 7 3 2 6 9 18 10 4 3 12 8 17 7 2 8 4 12 6 2 3 2 1 1 1 2 1 1 3 6 8 3 15 11 7 1 1 1 5 3 2 6 1 5 3 2 1 0 2 3 1 1 1 1 1 1 4 1 0 0 1 14 3 6 20 4 8 4 4 2 1 3 3 1 0 5 3 1 0 2 11 2 1 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 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 2 2 4 4 7 14 9 3 3 7 3 6 24 100 18 1 3 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 s 1H \| 85 85 d 1H J 22 \| 80 80 dd 1H J 22 82 \| 72 72 q 1H J 10 \| 66 66 d 1H J 82 \| 44 44 q 2H J 64 \| 38 37 d 3H J 10 \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(-c2cccc(O)c2)nc(C(=O)O)c(O)c1=O	ir: 4 6 4 6 6 5 6 9 5 4 6 6 6 4 7 28 5 6 5 5 5 4 5 7 10 23 33 26 22 10 10 15 76 83 21 12 8 7 6 7 9 4 4 5 4 3 14 54 15 5 4 5 5 4 4 4 4 4 4 4 4 4 5 6 5 4 17 13 8 7 5 5 5 6 5 13 10 18 26 29 11 13 8 72 18 5 7 8 5 4 8 11 13 7 6 8 9 10 5 6 8 16 47 72 16 19 6 7 5 6 7 6 3 4 5 4 3 4 5 5 3 6 6 6 7 18 7 6 5 17 18 5 7 6 5 5 4 10 6 4 5 7 6 3 3 6 10 1 34 31 0 10 6 2 3 7 6 3 3 5 5 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 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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 4 4 4 5 5 6 17 11 18 7 7 36 100 85 25 66 26 10 34 36 5 5 4 3 4 4 4 3 4 4 4 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 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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: 88 88 s 1H \| 78 77 ddd 1H J 12 21 75 \| 74 74 dd 1H J 75 85 \| 72 72 s 1H \| 70 70 t 1H J 21 \| 69 68 ddd 1H J 13 22 86 \| 35 35 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1ccc([C@H]2[C@H](C(=O)O)[C@@H](c3ccc4c(c3)OCO4)CN2C(=O)OC(C)(C)C)cc1	ir: 1 2 4 4 2 3 3 4 4 6 10 4 8 6 3 4 8 10 22 8 26 54 12 5 10 10 2 2 2 2 1 1 1 1 4 1 2 1 2 3 1 1 1 1 1 1 2 1 1 3 1 1 4 13 10 43 7 3 3 7 3 3 4 2 4 13 5 16 9 6 4 3 4 2 4 11 2 9 18 17 5 4 9 2 3 4 15 6 1 1 3 2 1 3 1 1 3 4 13 3 3 3 7 5 8 12 8 6 2 3 7 5 6 4 5 3 3 2 5 4 2 4 3 4 3 3 4 3 2 4 3 7 6 12 6 4 2 2 2 1 10 4 12 100 8 0 2 3 29 8 13 81 5 0 1 1 1 0 0 1 1 0 3 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 0 1 0 0 1 1 0 1 1 1 1 1 1 1 2 1 2 3 1 7 5 7 6 11 4 13 73 6 3 2 2 2 2 2 3 16 82 3 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 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 0 1 0 0 0 1 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; 1HNMR: 72 72 m 2H \| 69 68 m 3H \| 68 67 m 2H \| 59 59 s 2H \| 53 52 m 1H \| 42 42 dt 1H J 21 119 \| 40 39 m 3H \| 37 36 m 1H \| 33 33 ddd 1H J 18 76 86 \| 19 18 qt 2H J 53 78 \| 15 14 s 8H \| 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.
N#Cc1c(F)c(F)c(-c2ccc3c4c(cccc24)CC3)c(F)c1F	ir: 1 1 1 1 1 2 3 1 2 1 1 1 1 4 2 1 1 1 1 2 2 7 5 1 1 1 8 1 1 1 1 1 1 1 1 4 3 1 1 2 2 2 3 17 3 11 30 3 10 2 1 1 1 7 34 92 7 0 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 2 5 2 1 1 2 1 4 13 27 3 62 4 1 1 1 4 1 1 1 2 2 1 1 1 2 8 2 1 1 1 3 8 3 3 2 1 1 7 10 3 4 2 1 2 10 2 1 1 1 1 1 2 2 1 4 16 10 3 2 1 20 9 1 1 1 3 1 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 4 100 3 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 5 1 2 3 1 1 2 4 4 12 6 95 16 17 6 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 dd 1H J 13 79 \| 75 75 d 1H J 82 \| 74 73 m 2H \| 73 72 dt 1H J 11 80 \| 33 32 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(OC)c1cnc(N)c(C#N)n1	ir: 2 6 7 4 7 4 1 16 46 3 4 4 1 3 2 2 3 5 8 11 16 20 6 3 7 3 3 2 2 2 2 4 1 2 1 2 3 2 1 4 4 6 9 7 7 3 2 1 2 1 1 1 1 1 1 1 2 1 2 2 5 3 3 1 2 1 1 2 3 2 1 8 1 1 2 4 1 1 1 7 2 7 1 1 2 1 2 1 1 1 1 5 8 9 6 4 2 2 1 1 1 1 0 1 1 1 1 1 2 1 0 3 19 4 2 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 10 4 1 1 2 1 1 2 2 1 2 20 2 3 4 30 2 0 1 3 5 4 42 14 2 100 29 3 1 3 2 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 6 1 1 1 1 1 1 1 2 1 2 5 88 18 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 d 1H J 7 \| 63 63 s 2H \| 56 55 m 1H \| 34 34 d 6H J 16	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccccc1Nc1ccc(OCc2ccccc2)cc1	ir: 1 2 1 1 1 2 3 3 5 9 1 5 6 7 2 5 7 12 2 3 8 30 28 8 12 13 3 5 11 18 21 9 7 6 5 3 3 4 12 29 22 7 8 47 11 6 4 4 3 1 2 4 3 1 4 11 30 19 4 1 2 2 1 1 6 4 5 3 7 7 3 2 2 0 6 14 7 2 21 59 5 4 0 1 6 5 1 7 7 5 1 1 2 1 0 1 3 1 2 1 2 3 1 1 3 2 6 36 2 1 2 1 1 2 11 2 2 1 7 6 3 2 1 1 1 3 2 1 0 1 1 1 1 3 6 8 8 2 2 15 3 2 4 5 4 22 4 3 1 10 2 6 4 18 11 2 11 29 5 2 2 10 6 2 20 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 0 1 0 1 1 0 0 1 1 1 5 14 13 62 38 7 4 2 1 2 1 1 11 12 6 1 1 1 1 1 1 1 1 3 8 3 5 25 100 8 3 4 3 2 1 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 dd 1H J 16 80 \| 74 74 m 2H \| 74 73 m 2H \| 73 72 m 2H \| 71 71 dd 1H J 14 79 \| 71 70 m 2H \| 69 69 m 2H \| 67 67 td 1H J 14 80 \| 54 53 s 1H \| 51 50 d 2H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cnc(Oc2ccc(F)c(F)c2)c(C)c1	ir: 1 0 1 1 3 3 8 2 1 1 1 2 2 1 1 1 1 2 1 3 1 1 1 0 1 0 1 1 1 1 2 3 3 2 4 29 6 100 42 9 9 6 6 20 1 2 1 0 0 1 0 0 0 2 5 42 3 1 0 1 2 1 1 0 5 28 8 23 33 6 4 2 1 0 1 1 1 1 1 1 0 0 1 1 1 12 28 4 3 3 5 1 0 0 1 1 1 1 1 1 0 3 2 0 0 0 0 1 0 1 3 1 1 0 0 1 1 1 2 2 1 1 1 1 19 10 8 6 24 20 6 2 1 2 21 3 0 1 1 1 1 15 8 8 1 2 7 6 42 9 2 1 3 2 3 5 23 2 0 1 1 13 5 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 3 6 8 5 8 85 50 6 2 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 d 1H J 16 \| 80 80 d 1H J 21 \| 75 74 m 1H \| 74 73 ddd 1H J 22 32 122 \| 73 72 ddd 1H J 21 36 95 \| 27 26 s 3H \| 22 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCN(OC)CCN1C(=O)Cc1c(C)cc(C)cc1C	ir: 5 4 10 40 8 7 7 9 11 23 2 6 6 1 6 4 20 26 17 1 5 2 3 3 2 2 6 12 29 10 9 6 18 2 7 4 1 3 10 2 4 3 1 1 7 4 5 4 2 6 4 7 12 20 6 1 5 3 2 3 27 22 9 1 4 13 11 1 4 5 5 3 13 20 3 11 11 2 2 1 2 3 9 6 26 1 1 2 17 4 2 1 2 2 2 4 14 27 9 5 4 2 5 2 4 48 22 10 19 5 4 3 5 6 40 10 2 6 11 14 12 5 4 21 9 3 14 4 15 11 9 17 88 10 4 4 4 3 2 2 2 9 18 7 6 5 4 3 8 100 5 23 5 1 0 3 3 1 1 3 3 6 2 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 2 5 7 2 3 5 6 8 6 7 5 3 3 7 10 42 44 6 9 71 7 8 4 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 68 68 s 2H \| 42 42 q 2H J 66 \| 38 37 dt 5H J 74 179 \| 35 35 s 2H \| 34 34 s 3H \| 32 31 t 2H J 73 \| 31 30 t 2H J 73 \| 23 23 s 5H \| 22 22 s 3H \| 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.
CC(C)c1cc2c(c(C3CCCC3)c1Cc1ccc(C(F)(F)F)cc1)[C@@H](O)CC(C)(C)O2	ir: 3 2 1 1 1 1 1 2 2 3 1 1 0 0 4 6 6 2 1 1 0 1 1 1 0 2 1 1 1 1 0 1 1 2 1 1 0 0 2 1 1 1 3 1 0 1 0 0 0 1 1 1 12 9 4 1 8 10 27 1 1 2 1 0 3 8 30 3 0 2 3 1 1 1 1 4 3 2 3 2 4 6 3 6 9 19 14 7 2 2 5 2 2 2 2 1 1 1 4 11 23 4 5 7 1 1 1 2 3 2 1 4 63 2 6 1 3 3 4 2 2 4 2 2 1 2 17 2 2 5 5 4 2 1 1 1 1 1 1 1 0 1 1 1 0 1 0 0 7 7 3 1 1 4 1 0 1 0 0 0 2 9 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 0 1 2 2 3 4 5 5 3 7 6 16 7 10 100 8 5 2 1 2 2 3 77 5 2 0 0 1 1 0 0 0 0 0 0 1 0 1 2 2 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dq 2H J 14 71 \| 74 73 dt 2H J 9 69 \| 69 68 d 1H J 9 \| 52 51 ddd 1H J 42 55 70 \| 42 41 t 2H J 9 \| 34 34 d 1H J 57 \| 32 30 heptd 1H J 9 69 \| 28 27 p 1H J 49 \| 24 23 dd 1H J 42 137 \| 22 21 dd 1H J 70 137 \| 20 19 m 1H \| 18 17 m 2H \| 17 16 m 4H \| 14 14 s 2H \| 13 13 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@H]1CC[C@H](c2cccc(F)c2F)Cc2cccnc21	ir: 8 2 4 4 3 11 6 10 3 1 8 6 1 3 1 1 2 1 2 2 2 6 2 1 1 1 1 1 1 1 1 1 1 1 5 11 5 9 6 26 6 1 2 1 2 5 6 6 23 6 2 4 1 1 3 2 1 1 1 1 1 6 1 4 2 1 1 1 1 1 1 1 3 2 1 4 1 1 1 1 2 3 1 13 13 1 3 3 17 46 13 7 5 3 1 1 1 1 1 1 1 1 1 1 2 1 3 2 4 4 3 1 1 1 2 4 2 4 1 2 1 3 1 1 1 1 2 3 2 3 3 3 3 8 13 2 3 2 2 6 3 1 1 1 1 2 4 3 1 1 1 1 1 1 13 4 4 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 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 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 2 2 3 4 5 4 9 15 0 3 1 1 6 33 100 22 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 85 dd 1H J 21 47 \| 77 77 ddt 1H J 9 21 84 \| 74 73 dd 1H J 48 84 \| 72 71 m 3H \| 49 48 m 1H \| 35 35 d 1H J 62 \| 33 31 m 2H \| 30 29 ddd 1H J 7 84 161 \| 23 22 dtd 1H J 72 101 146 \| 22 20 m 2H \| 19 18 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(S(N)(=O)=O)cc1C(F)(F)F	ir: 9 10 84 26 14 11 8 3 3 3 4 13 10 2 5 2 3 5 3 2 4 4 3 2 2 3 4 3 1 2 2 1 1 3 2 2 3 4 6 5 2 3 2 1 2 3 5 1 1 3 2 1 1 7 19 4 2 2 2 1 2 2 6 25 2 4 2 4 7 3 2 3 3 6 5 2 3 6 48 16 12 24 42 50 9 44 96 86 25 14 8 4 7 8 2 2 3 7 30 6 14 7 17 62 6 2 1 5 5 4 2 3 4 4 4 10 14 17 66 68 26 7 13 7 4 12 1 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 3 4 1 1 2 3 4 12 12 3 5 4 8 15 19 19 9 3 1 24 6 3 1 1 2 1 0 1 2 1 0 1 3 1 1 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 0 2 3 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 3 4 3 1 2 1 9 44 5 4 2 0 1 2 2 1 1 2 1 1 2 2 2 2 11 27 100 10 7 4 8 62 24 2 4 4 2 49 99 1 3 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 80 79 dq 1H J 9 19 \| 77 76 dd 1H J 21 87 \| 73 72 d 1H J 87 \| 63 63 s 2H \| 43 43 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)S[C@@H]1CO[C@@H](CO)C1	ir: 18 9 11 3 4 4 3 5 2 1 0 1 1 1 1 1 2 2 2 2 1 2 1 1 1 1 0 1 2 6 2 3 1 2 2 2 1 1 1 2 1 2 2 5 4 0 0 1 1 1 1 2 2 2 1 1 1 0 2 2 2 1 2 2 2 4 4 7 2 4 2 1 2 1 2 2 4 4 4 3 1 1 2 3 2 26 100 35 11 6 5 2 2 6 1 2 1 2 1 1 3 5 14 4 5 5 3 3 1 1 2 1 0 1 3 2 3 3 3 3 4 6 3 1 1 2 3 1 1 1 1 2 0 2 2 2 13 14 9 10 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 1 1 1 1 1 1 2 1 4 3 5 4 4 5 4 4 6 7 4 8 2 1 2 4 2 2 1 1 6 4 5 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 41 40 m 2H \| 39 38 m 3H \| 36 35 ddd 1H J 36 61 119 \| 33 32 t 1H J 60 \| 25 24 m 1H \| 23 23 s 2H \| 22 22 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(CO)cc3)c2)c2ncccc2c1=O	ir: 1 2 3 1 3 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 3 1 1 1 1 2 1 1 2 1 3 7 5 7 5 11 2 6 3 2 1 2 2 6 6 8 3 0 11 100 8 11 4 2 3 3 2 1 2 2 1 1 1 4 4 2 1 1 3 2 2 1 1 1 2 2 3 5 3 3 5 6 13 6 5 7 3 1 3 2 2 1 3 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 8 2 2 2 3 2 2 2 1 1 2 1 1 1 1 1 1 2 5 7 9 14 8 2 3 2 2 4 6 11 2 3 5 6 12 4 11 5 3 6 5 2 1 2 14 2 23 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 2 9 23 7 4 6 22 3 2 4 12 5 2 1 2 1 1 1 1 1 1 1 2 2 3 2 5 13 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 1H \| 89 88 d 1H J 77 \| 85 85 dd 1H J 22 48 \| 84 84 dd 1H J 22 82 \| 76 75 m 2H \| 75 74 m 2H \| 74 74 m 1H \| 74 73 dt 2H J 9 84 \| 73 73 t 1H J 21 \| 72 71 dt 1H J 20 64 \| 46 45 dt 2H J 9 57 \| 30 29 dp 1H J 49 77 \| 28 27 t 1H J 57 \| 8 8 m 2H \| 6 5 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S1(=O)Cc2cc(C(F)(F)F)ccc2C(c2ccc(F)cc2)=NN1	ir: 3 5 7 6 5 15 28 10 36 19 7 8 7 12 3 1 3 6 4 4 4 6 10 1 2 3 2 6 4 3 2 2 5 11 1 1 1 1 2 4 7 5 1 2 1 2 5 13 2 1 2 2 1 3 10 40 7 2 1 2 1 3 1 2 1 1 2 4 39 10 1 1 2 2 1 1 1 2 1 1 2 11 2 3 4 22 18 5 5 5 1 24 15 4 3 1 1 2 2 23 30 5 5 3 13 2 2 1 0 1 2 2 7 22 9 5 3 3 11 17 3 2 2 3 6 12 5 3 7 5 4 4 8 8 10 18 23 51 22 6 3 4 29 4 5 15 2 2 3 11 3 6 2 3 2 2 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 2 1 2 1 1 7 5 12 5 14 100 15 7 3 2 2 1 2 1 1 1 1 1 1 1 1 1 2 1 3 2 2 4 13 18 19 34 5 6 8 10 8 7 6 5 2 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 m 2H \| 77 77 dtd 1H J 13 26 108 \| 76 75 m 2H \| 75 75 d 1H J 108 \| 73 72 m 2H \| 48 47 d 2H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C(=C1CC1)c1cc(OCc2ccccc2)c(OCc2ccccc2)nn1	ir: 2 2 4 3 1 2 6 3 8 4 5 2 3 2 2 1 1 1 2 1 2 8 6 2 2 2 1 2 2 4 15 14 4 15 9 11 9 14 13 12 38 6 11 3 7 8 2 2 3 1 1 0 1 1 1 2 2 6 1 0 1 3 1 2 2 4 30 10 23 7 15 4 2 2 1 3 3 2 3 2 1 1 0 1 1 1 3 4 6 9 3 2 4 2 4 2 2 7 9 3 2 1 1 1 7 3 1 1 0 1 1 1 2 2 2 1 4 7 2 3 3 4 2 3 4 6 3 2 12 5 2 3 3 8 6 35 3 2 2 1 2 5 22 79 6 4 15 4 2 0 1 6 4 1 1 1 2 7 0 0 0 0 0 0 1 1 23 3 0 1 0 1 1 1 1 3 2 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 1 1 2 3 6 13 37 22 100 70 27 8 4 3 2 7 5 11 3 2 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 ddq 4H J 11 55 72 \| 74 73 m 4H \| 73 73 m 2H \| 71 71 s 1H \| 64 63 q 1H J 9 \| 53 53 t 2H J 8 \| 52 51 d 2H J 10 \| 22 21 m 2H \| 21 20 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C(c2ccccc2)CCCN1Cc1ccccc1	ir: 0 4 6 3 3 7 9 7 5 11 10 9 3 5 9 9 5 4 5 5 13 14 8 4 3 5 8 9 7 19 20 16 24 20 15 13 10 61 29 86 21 59 26 9 8 18 19 6 9 8 4 1 3 7 6 3 3 7 3 1 3 6 3 2 5 8 6 11 15 26 7 3 4 7 4 4 9 13 5 4 6 5 2 3 6 6 3 5 17 16 3 4 13 6 2 4 8 8 5 5 7 5 2 4 11 6 2 4 6 4 0 6 11 12 9 11 9 10 11 12 13 15 12 12 14 8 8 5 9 10 3 7 7 8 52 20 31 8 5 6 7 11 10 48 44 10 10 31 20 42 12 15 19 10 4 6 4 2 3 6 4 1 3 5 4 1 3 6 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 3 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 5 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 6 5 3 6 9 5 7 8 12 12 9 30 61 19 100 66 24 9 4 5 8 4 3 9 8 3 2 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4; 1HNMR: 74 72 m 6H \| 74 73 s 2H \| 73 72 dq 2H J 9 79 \| 47 46 dt 1H J 10 128 \| 45 45 dt 1H J 9 125 \| 37 36 m 1H \| 35 34 m 2H \| 22 21 ddt 1H J 64 90 134 \| 21 20 m 1H \| 19 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)n1cccc1CO	ir: 6 10 7 16 12 14 4 11 17 13 3 9 28 11 32 60 38 33 24 29 18 16 13 11 16 10 11 9 4 5 3 12 12 5 6 6 4 5 3 4 4 11 11 40 49 5 1 4 3 0 1 4 4 10 8 6 3 5 4 4 3 1 14 11 2 2 2 3 3 2 4 4 2 1 2 3 2 1 3 5 7 9 7 4 5 3 7 9 16 20 49 17 92 27 57 34 47 26 4 5 5 4 5 2 4 3 1 3 3 3 3 2 2 2 3 2 1 63 5 7 16 6 1 3 3 4 10 10 13 12 9 6 4 2 2 2 4 20 2 3 3 1 6 10 5 1 2 6 25 22 6 11 12 14 5 1 2 4 4 3 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 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 2 1 2 2 2 2 2 3 2 2 3 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 4 4 2 2 2 2 2 2 2 3 4 5 5 12 15 6 9 7 7 36 14 24 56 83 100 12 5 7 3 2 2 2 1 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 71 70 dd 1H J 17 50 \| 66 66 ddt 1H J 8 17 70 \| 60 60 dd 1H J 50 70 \| 47 46 dd 2H J 9 55 \| 38 37 t 1H J 56 \| 16 16 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-c2cc(NCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)c1C	ir: 3 5 5 3 7 7 19 8 10 15 6 6 8 8 14 10 3 5 6 6 7 4 8 4 7 2 6 6 5 4 6 4 3 5 6 12 13 26 43 30 16 7 5 9 7 3 7 13 2 4 3 3 4 6 12 9 12 6 4 2 3 5 4 2 9 8 11 12 7 6 3 2 3 2 2 3 2 2 2 1 3 8 2 5 9 5 3 2 3 8 2 2 9 18 9 4 3 2 1 2 2 3 1 3 13 18 12 13 1 2 3 2 2 3 5 5 3 6 3 8 11 7 5 3 6 7 3 3 3 3 4 2 2 2 3 4 7 5 3 6 14 10 5 6 16 40 44 65 67 20 10 8 6 1 4 26 5 6 2 7 73 3 2 4 1 1 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 1 2 2 4 9 5 5 27 19 35 18 8 4 2 2 3 1 1 2 3 1 2 3 2 3 2 6 11 11 4 6 3 3 6 12 28 25 7 5 31 100 10 3 3 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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; 1HNMR: 78 77 m 2H \| 74 73 m 3H \| 73 73 dd 1H J 79 86 \| 71 71 m 1H \| 66 65 t 1H J 53 \| 65 64 s 1H \| 59 59 s 2H \| 47 47 dt 2H J 8 51 \| 33 32 s 3H \| 24 23 d 3H J 7 \| 23 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(O)C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1	ir: 2 4 10 4 6 4 5 8 3 4 46 9 9 17 4 13 19 27 15 15 16 82 49 18 4 7 6 3 2 3 4 2 3 4 2 1 2 3 3 3 2 2 2 2 5 2 2 2 2 2 2 1 1 2 3 2 2 2 6 2 6 4 3 3 3 3 2 2 2 2 2 2 2 3 5 4 4 25 24 11 29 4 8 6 3 3 3 4 3 3 3 7 14 3 19 4 2 9 16 31 5 6 3 2 1 3 8 5 9 17 4 2 3 8 16 12 1 3 3 7 5 3 7 5 3 5 8 8 5 12 8 6 6 13 4 2 1 3 3 0 0 5 17 30 4 0 1 2 3 2 6 100 6 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 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 2 2 2 1 2 2 1 1 1 2 2 2 2 2 2 2 1 2 1 1 2 2 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 2 1 2 2 2 3 3 2 2 2 3 2 2 2 3 3 3 3 9 24 5 3 1 2 2 2 3 51 33 5 2 7 14 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 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; 1HNMR: 44 44 ddd 1H J 18 50 68 \| 38 37 d 1H J 127 \| 36 35 dd 1H J 18 126 \| 34 34 s 1H \| 23 22 dd 1H J 49 130 \| 21 20 dd 1H J 70 130 \| 15 14 s 8H \| 13 13 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc(COCCn2ccnn2)c(F)c1	ir: 2 3 3 2 1 3 3 2 1 2 4 2 2 2 4 3 2 3 5 2 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 0 3 4 2 0 2 3 5 4 19 18 7 5 1 4 4 6 5 13 9 14 20 11 5 2 2 4 2 2 17 34 26 13 9 5 2 2 3 4 1 0 2 5 4 21 100 74 28 8 4 10 22 11 5 5 3 7 11 12 5 4 4 5 3 1 1 1 1 1 1 1 1 1 3 2 1 2 4 4 7 3 2 2 2 2 2 3 6 6 3 2 3 3 2 1 1 1 2 1 1 1 2 2 2 1 1 3 19 16 5 2 3 2 6 29 15 10 32 24 3 2 2 0 1 3 8 13 3 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 2 1 1 1 2 1 0 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 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 4 2 0 4 3 3 4 7 15 14 39 53 15 8 12 11 11 11 34 24 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 81 80 s 1H \| 78 77 m 2H \| 72 71 ddt 1H J 8 48 84 \| 66 66 dd 1H J 22 83 \| 65 64 dd 1H J 22 121 \| 46 46 dd 2H J 8 37 \| 44 44 td 2H J 8 41 \| 40 39 t 2H J 41	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN=C=NCCCN1CCOCC1	ir: 5 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 3 24 4 1 1 1 2 2 2 2 3 3 3 4 6 7 7 8 11 11 6 8 4 3 6 3 7 7 7 4 9 17 6 6 8 4 7 5 7 5 5 11 15 3 4 6 5 6 8 26 51 19 9 2 4 8 9 36 6 0 0 2 5 6 1 1 2 2 2 7 2 1 2 2 2 3 5 7 7 4 1 1 1 1 2 2 4 4 3 4 3 3 2 2 2 1 1 1 2 2 3 3 1 3 1 2 2 1 2 2 1 2 4 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 6 100 2 1 1 1 1 0 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 3 3 2 2 3 2 2 1 2 2 3 13 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 38 37 m 4H \| 34 33 q 2H J 71 \| 30 30 t 2H J 63 \| 25 24 t 2H J 57 \| 24 24 m 4H \| 19 18 p 2H J 60 \| 13 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC1(C)C(=O)N(C(C)C)CC(C)(C)N1O	ir: 12 7 8 9 6 7 16 32 49 95 36 37 27 19 6 6 5 5 3 3 8 6 7 8 3 2 4 2 6 5 10 9 5 3 5 30 41 4 5 5 4 4 5 3 2 5 1 5 4 2 3 4 3 1 2 2 2 3 4 5 6 2 7 10 5 5 4 6 3 1 3 3 1 1 7 6 6 2 10 27 52 17 5 3 5 5 8 6 12 91 100 30 13 27 21 15 18 4 9 3 3 2 2 3 3 2 4 4 4 5 5 10 6 8 8 11 2 8 16 11 25 7 5 12 6 7 4 21 19 7 22 18 10 9 6 3 8 8 5 6 2 3 3 1 1 3 4 5 66 9 1 1 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 7 3 2 4 5 4 3 3 4 6 5 14 44 44 14 4 4 2 1 2 3 1 1 7 50 2 0 1 2 1 0 1 2 1 0 1 2 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 60 59 s 1H \| 40 39 dq 1H J 59 119 \| 37 36 d 1H J 112 \| 36 35 d 1H J 112 \| 20 19 dd 1H J 60 122 \| 18 17 m 1H \| 17 17 dd 1H J 60 122 \| 14 14 s 3H \| 13 12 d 5H J 115 \| 12 11 dd 7H J 60 73 \| 10 9 d 3H J 67 \| 9 8 d 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1	ir: 6 3 5 5 2 16 18 5 2 2 3 2 3 2 1 1 1 2 5 6 3 7 15 2 1 1 4 4 2 1 2 2 4 2 1 1 1 2 2 1 2 13 16 9 3 15 90 70 5 3 6 3 5 8 12 28 54 15 25 19 9 7 6 10 6 8 15 14 33 14 9 19 16 33 21 6 58 13 10 7 19 59 45 6 3 3 3 10 12 1 3 1 3 3 4 11 6 3 5 6 4 4 4 4 3 6 6 6 11 4 6 3 3 4 4 3 6 3 3 16 15 3 4 6 13 5 20 11 4 13 21 13 27 22 18 64 75 47 23 5 9 4 1 2 3 17 85 86 53 35 1 3 2 11 8 3 1 1 1 17 2 1 2 23 4 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 2 2 2 4 4 7 2 3 3 3 5 4 1 13 3 5 17 22 24 33 10 3 2 1 1 2 3 5 9 19 9 35 26 8 11 27 11 7 100 96 33 9 9 3 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 83 dd 1H J 16 141 \| 79 79 d 1H J 93 \| 75 74 dd 1H J 16 121 \| 67 67 d 1H J 93 \| 42 41 t 2H J 60 \| 31 30 tt 1H J 38 55 \| 30 29 t 2H J 60 \| 29 28 ddd 2H J 55 82 125 \| 28 27 ddd 2H J 55 82 125 \| 19 18 dddd 2H J 39 56 82 136 \| 17 16 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCNCc1ccc(Oc2ccc(C#N)cc2)c2ccccc12	ir: 1 1 0 1 1 1 1 1 0 0 1 0 1 0 1 0 0 0 1 0 1 2 1 2 8 4 1 2 3 1 1 2 2 3 4 5 2 12 22 4 3 4 2 27 58 11 4 2 3 2 3 1 3 11 5 15 25 1 6 2 3 2 2 2 2 1 1 0 1 17 2 2 1 1 2 4 2 2 2 1 1 1 1 0 0 1 1 1 6 1 1 0 0 1 1 1 1 1 7 1 1 1 1 2 2 2 6 4 4 3 4 14 10 7 6 3 4 3 0 3 1 2 3 4 3 2 5 2 5 5 7 9 3 7 3 2 3 2 2 1 8 0 0 1 2 4 37 3 7 10 28 6 7 1 1 1 1 1 1 0 2 8 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 2 1 1 1 1 2 2 1 6 8 3 15 100 33 7 6 4 1 3 1 1 1 2 1 1 1 1 2 1 3 7 16 62 13 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 m 1H \| 80 79 m 1H \| 77 77 m 2H \| 75 74 m 2H \| 73 72 m 1H \| 71 71 m 2H \| 69 69 d 1H J 86 \| 40 40 dd 2H J 9 53 \| 39 38 p 1H J 53 \| 29 28 td 2H J 51 58 \| 16 15 m 3H \| 9 8 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(CO)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1	ir: 6 4 3 3 13 17 4 4 2 3 3 3 0 3 5 3 2 3 3 2 4 6 2 2 3 2 2 2 4 4 4 5 5 4 7 30 6 5 4 5 8 18 5 7 4 3 11 2 8 1 10 2 27 13 10 3 32 8 9 4 5 3 2 3 4 3 8 5 15 22 9 40 21 19 5 3 3 3 3 4 4 4 4 5 9 5 26 23 87 15 26 16 7 9 6 7 3 2 5 5 2 5 1 5 10 14 24 22 17 14 15 6 16 9 6 10 7 12 4 6 3 4 5 10 6 9 11 8 4 3 2 2 5 3 2 2 3 3 5 9 11 47 4 3 2 3 3 6 6 33 6 23 5 2 1 3 3 3 98 19 5 6 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 2 2 1 2 2 2 2 2 2 2 2 3 2 2 8 6 7 6 4 7 4 4 3 6 7 100 4 7 2 4 17 6 4 6 7 12 58 9 6 3 2 2 4 2 2 1 2 2 2 3 5 12 9 7 10 43 22 13 5 5 1 2 1 2 1 1 2 2 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; 1HNMR: 87 86 s 1H \| 64 64 s 1H \| 47 46 dd 1H J 43 70 \| 38 37 m 7H \| 35 34 ddd 1H J 40 66 122 \| 33 33 m 4H \| 33 32 t 1H J 64 \| 21 20 dddd 1H J 43 54 82 135 \| 19 16 m 6H \| 15 15 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C2C[C@@H](C)[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(CO)CCC1=O	ir: 5 3 5 5 3 6 3 3 2 5 1 1 2 2 3 3 2 2 2 4 2 6 3 4 4 2 4 3 4 3 1 1 0 0 2 0 5 8 4 1 1 1 1 3 2 2 3 2 4 6 4 0 2 11 1 2 1 3 2 3 1 8 9 4 3 2 3 2 5 5 6 1 7 5 2 4 4 5 7 2 7 6 4 27 49 70 100 47 69 46 48 12 18 12 5 14 2 2 5 5 5 5 4 3 3 8 9 4 4 2 1 4 4 6 8 7 5 10 13 5 8 8 8 6 1 15 37 4 6 4 4 4 3 1 2 3 3 3 10 3 4 12 21 4 2 1 0 1 1 0 0 0 0 0 0 2 20 6 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 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 1 0 0 0 0 0 1 1 1 1 2 6 4 3 6 6 12 5 6 6 5 2 7 11 28 7 6 3 2 3 3 5 4 9 26 52 23 14 4 1 3 3 1 2 1 2 1 2 1 1 3 2 2 2 2 2 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 41 40 dd 1H J 64 106 \| 37 37 dd 1H J 64 106 \| 37 36 m 1H \| 36 36 t 1H J 64 \| 28 27 d 1H J 53 \| 26 25 ddd 1H J 60 87 148 \| 25 24 ddd 1H J 60 88 147 \| 24 23 ddq 1H J 9 40 150 \| 22 21 m 2H \| 19 18 m 2H \| 18 18 m 1H \| 18 17 m 4H \| 17 13 m 10H \| 9 9 m 3H \| 8 8 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(/C=C/c1ccc(NC2CCN(Cc3ccccc3)C2)nc1)NOC1CCCCO1	ir: 1 1 1 3 2 5 3 3 2 2 2 3 2 2 4 8 7 9 2 6 9 7 5 3 1 3 2 4 2 2 2 4 17 35 47 12 10 6 3 5 14 1 1 1 4 1 1 1 3 1 2 2 5 16 12 3 1 2 3 2 1 1 1 1 1 1 3 3 10 4 17 0 2 3 6 7 4 3 7 19 21 12 4 2 2 2 3 1 6 8 4 10 5 2 2 1 2 3 6 2 1 2 2 4 7 2 2 3 5 5 2 3 3 2 1 3 2 1 4 3 3 6 4 6 6 3 2 3 4 4 3 3 7 1 5 7 1 2 2 1 2 4 15 15 12 44 100 34 25 1 14 5 5 1 1 2 1 0 2 11 2 0 1 1 1 1 8 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 2 2 1 2 2 1 3 2 7 9 19 12 21 21 10 2 3 2 2 2 1 1 1 1 1 0 1 1 2 1 1 1 1 2 14 16 26 26 40 34 19 6 5 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 d 1H J 19 \| 79 79 m 1H \| 77 76 d 1H J 164 \| 73 72 m 5H \| 69 68 m 2H \| 61 61 d 1H J 70 \| 49 49 t 1H J 33 \| 40 40 dtt 1H J 27 37 64 \| 38 38 ddd 1H J 37 59 111 \| 37 35 m 3H \| 31 30 m 1H \| 29 28 ddd 1H J 48 67 128 \| 28 28 m 1H \| 27 26 ddd 1H J 47 67 123 \| 22 21 m 1H \| 19 15 m 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(C)c1C(=NO)c1ccc(OC(F)(F)F)cc1	ir: 5 12 5 2 6 18 9 22 11 6 4 6 6 10 8 10 7 3 1 3 1 1 0 1 3 3 4 3 3 2 2 5 3 12 3 3 1 2 1 0 1 0 1 0 1 1 0 1 1 1 1 2 1 5 8 16 20 7 2 2 1 1 1 2 2 3 2 2 5 9 7 10 15 30 7 6 7 4 1 1 1 1 2 6 1 2 2 4 5 2 1 1 4 6 11 6 5 11 33 20 28 20 8 3 2 1 2 3 3 7 2 2 2 1 1 1 1 2 2 2 3 2 3 1 2 3 7 3 3 2 0 1 2 5 8 3 1 7 16 5 3 2 19 8 5 4 3 1 5 7 9 5 6 9 6 8 5 1 0 0 0 1 2 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 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 3 1 1 0 0 1 1 1 1 1 1 1 2 9 5 8 19 15 19 5 1 2 2 5 8 100 66 2 2 2 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 3H \| 73 72 m 3H \| 27 27 s 3H \| 25 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)[C@@H]1C[C@@H](O)CN1c1nc2c(c(Nc3cc(C4CCCC4)[nH]n3)n1)CCC2	ir: 1 2 4 2 2 2 2 3 2 1 2 4 6 4 1 3 4 5 2 11 9 7 6 5 2 4 7 9 7 24 14 2 3 2 2 1 1 2 2 1 1 2 2 2 2 3 3 1 5 21 6 3 29 9 4 2 7 20 6 2 2 4 2 3 3 3 1 1 2 3 2 3 4 3 4 1 2 2 2 1 1 2 1 1 3 2 2 4 5 5 8 14 13 6 6 5 4 3 43 4 3 1 1 3 2 5 3 2 6 3 2 2 4 3 4 4 4 4 1 2 2 3 2 5 3 5 2 8 3 1 3 3 5 4 1 2 5 1 1 2 4 1 5 7 6 2 4 3 3 42 5 100 6 0 1 4 20 1 1 2 45 4 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 2 4 2 1 1 2 2 2 7 3 2 0 4 3 2 1 3 6 13 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 9 16 31 7 10 5 3 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 1 1 1 0 1 1 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: 87 86 s 1H \| 60 60 d 1H J 7 \| 46 45 m 1H \| 45 44 dddd 1H J 7 17 60 78 \| 44 43 dd 1H J 40 148 \| 41 40 ddd 1H J 18 59 150 \| 34 33 pd 1H J 7 40 \| 30 29 dd 2H J 57 65 \| 29 29 s 5H \| 29 27 m 3H \| 24 23 m 4H \| 22 21 ddd 1H J 40 79 127 \| 21 20 m 2H \| 19 17 m 4H \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1C2C=CC(C2)C1C=O	ir: 5 2 1 10 8 3 3 2 2 1 0 0 0 1 3 3 1 2 3 1 4 12 10 9 4 10 14 5 6 1 2 1 1 3 2 1 1 1 0 0 0 0 0 0 2 2 1 1 1 1 1 1 2 1 1 1 1 3 2 4 6 10 1 1 2 3 1 1 1 4 4 1 1 1 2 3 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 1 0 1 2 6 4 2 3 3 5 4 10 13 21 25 14 2 4 2 12 9 2 2 1 2 3 2 2 1 1 1 1 2 4 1 1 0 2 7 4 1 1 2 3 9 6 11 5 3 2 1 12 100 9 3 3 3 13 18 11 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 2 3 3 2 4 7 10 8 3 14 3 11 5 2 2 1 4 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; 1HNMR: 95 95 m 1H \| 61 61 ddt 2H J 9 29 52 \| 37 37 s 2H \| 34 33 dddd 1H J 10 35 42 70 \| 32 31 m 2H \| 29 29 m 1H \| 17 17 dtt 1H J 9 44 122 \| 16 15 dtt 1H J 9 44 121	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(Cl)c(OC2CCC(F)(F)CC2)cc1F	ir: 0 1 1 1 2 2 2 3 1 1 2 1 5 3 4 3 8 9 4 9 4 31 100 6 4 1 3 6 2 0 0 1 2 0 1 2 3 2 1 1 1 4 2 1 1 0 0 1 0 0 0 0 0 2 1 2 2 0 1 1 1 0 1 1 1 1 5 11 9 3 1 1 2 4 6 10 8 9 20 17 1 0 2 3 3 3 6 6 15 1 1 1 1 1 1 1 1 0 1 2 1 0 1 1 0 1 5 3 1 1 4 6 1 4 4 5 2 6 2 2 1 3 5 5 1 2 2 2 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 5 8 3 2 3 9 2 1 0 1 3 2 0 0 0 0 0 0 0 5 4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 1 1 1 1 2 1 3 5 3 25 5 0 1 1 0 0 0 1 0 7 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 47 \| 69 68 d 1H J 121 \| 47 46 m 1H \| 22 21 m 1H \| 21 20 m 3H \| 21 20 m 1H \| 20 19 m 1H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1nc(N)c2nc(OC)n(CCCCN3CCN(C)CC3)c2n1	ir: 1 3 1 6 1 2 7 3 5 3 3 4 7 3 3 3 5 2 2 3 2 5 7 3 4 7 3 3 5 10 8 6 4 3 5 3 5 4 5 7 10 7 5 5 3 2 3 3 3 3 2 3 4 1 2 0 7 4 2 4 2 4 8 8 7 8 7 12 4 4 5 3 9 7 3 4 2 2 8 9 44 18 3 5 5 4 2 3 4 2 1 2 3 2 3 3 2 3 5 4 10 7 6 3 1 4 19 16 19 20 21 15 13 23 13 18 16 13 7 25 6 8 7 18 17 9 4 4 5 4 6 5 4 9 4 2 1 1 1 1 1 2 1 1 3 6 4 1 1 1 1 1 2 5 2 0 1 1 0 0 0 4 6 6 1 1 2 3 6 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 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 1 0 0 1 2 1 2 3 11 6 12 7 9 16 13 6 9 5 8 18 9 40 100 24 15 8 11 12 11 1 7 2 2 1 1 3 2 2 1 1 7 11 2 2 1 1 4 6 92 6 1 0 1 1 0 0 1 1 1 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 s 2H \| 43 43 t 2H J 81 \| 43 42 t 2H J 77 \| 40 39 s 2H \| 26 25 m 11H \| 24 23 s 2H \| 20 18 dtt 4H J 68 83 335 \| 17 16 tt 2H J 56 67 \| 15 14 h 2H J 69 \| 10 9 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)cccc1-c1ccccc1	ir: 7 6 10 29 39 13 7 6 7 14 17 4 7 5 8 14 7 9 2 3 6 7 5 4 7 6 4 3 4 3 7 33 14 13 26 10 8 10 20 36 40 47 96 40 11 4 19 21 23 7 5 5 3 8 3 4 10 4 3 3 2 2 2 1 2 1 1 2 7 2 7 4 1 3 5 5 19 13 4 4 3 1 1 1 1 2 6 8 6 2 11 5 2 3 2 2 4 3 7 4 2 1 1 6 24 5 4 1 1 1 1 1 3 3 1 2 2 2 18 17 5 7 3 5 8 6 7 3 3 2 2 2 3 1 16 11 11 54 75 6 2 12 32 100 26 29 39 21 11 19 19 9 46 11 8 8 16 45 13 3 4 13 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 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 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 2 2 1 1 3 2 1 2 3 2 1 6 7 8 6 35 72 43 22 8 4 3 3 3 2 2 2 1 2 3 2 3 4 4 7 30 6 10 8 14 48 87 36 7 3 6 48 45 4 4 3 1 1 3 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 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 0 1 1 0 1 1 1 0 1 1; 1HNMR: 95 95 s 1H \| 79 79 m 2H \| 77 77 dd 1H J 12 81 \| 77 76 dd 1H J 12 80 \| 76 75 m 2H \| 75 73 m 9H \| 73 72 m 1H \| 70 69 td 1H J 15 76 \| 69 68 dd 1H J 14 79 \| 46 45 dt 2H J 9 56 \| 41 40 s 2H \| 26 25 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1cccc(O)c1)c1ccc(C(=O)N[C@@H](CNC(=O)c2cnccn2)C(=O)O)c(Cl)c1	ir: 3 1 1 1 4 3 6 5 3 13 10 19 6 4 8 7 6 1 2 5 23 74 18 9 3 3 4 5 3 3 6 5 8 3 4 9 11 23 37 46 42 25 18 9 18 19 20 13 5 10 2 2 2 3 2 5 2 3 2 2 1 0 0 3 4 3 6 5 22 3 3 5 3 5 2 2 5 4 6 16 17 8 49 33 9 4 7 10 6 6 1 4 3 2 2 3 3 2 1 1 2 1 0 1 2 3 1 2 2 3 3 3 21 6 6 4 9 9 3 8 10 15 3 3 6 4 8 23 7 4 9 9 1 1 2 43 3 2 2 4 7 5 25 28 13 15 40 17 10 6 11 33 7 8 5 11 2 1 3 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 2 1 0 1 1 3 4 2 2 6 3 5 8 44 29 6 2 3 1 1 3 17 22 5 3 2 1 0 1 1 2 3 5 14 11 7 14 37 100 43 10 9 3 3 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 d 1H J 13 \| 89 89 dd 1H J 14 36 \| 88 88 d 1H J 35 \| 83 82 m 3H \| 82 81 d 1H J 86 \| 81 80 d 1H J 21 \| 80 79 dd 1H J 21 87 \| 79 78 d 1H J 87 \| 72 71 dd 1H J 78 85 \| 71 70 ddq 1H J 9 21 78 \| 68 68 tt 1H J 9 21 \| 68 67 ddd 1H J 13 22 86 \| 46 45 dt 1H J 42 86 \| 45 44 dt 2H J 9 57 \| 38 37 ddd 1H J 42 70 136 \| 36 35 ddd 1H J 43 70 134	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1c2c(cc(Br)c3c2CCC3)C(C)(C)C(=O)C1(C)C	ir: 7 21 9 21 19 8 9 5 12 17 41 28 8 13 19 41 7 4 4 17 2 9 5 5 9 8 2 2 4 4 2 8 11 24 5 4 5 5 3 9 5 5 5 24 8 0 2 3 2 1 3 7 3 0 1 4 4 7 22 6 5 6 13 8 5 11 16 28 9 4 4 4 32 19 19 2 12 4 2 2 1 2 2 2 2 2 5 6 2 2 3 4 3 4 7 16 4 8 7 4 5 4 2 3 28 24 14 2 4 5 25 2 10 45 14 13 16 8 16 35 33 32 30 17 19 8 10 70 30 69 53 53 11 5 4 2 0 3 2 2 1 3 2 40 2 3 2 3 7 4 10 100 6 65 11 3 1 3 2 1 6 5 2 0 1 3 1 0 1 2 1 0 1 3 2 0 2 3 1 1 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 3 5 8 36 7 1 1 6 6 2 8 6 7 3 21 78 98 26 11 87 22 7 4 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 s 1H \| 34 33 dd 3H J 57 66 \| 29 28 t 2H J 68 \| 23 22 m 3H \| 15 15 d 11H J 157 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1NC(=O)C=Cc1ccccc1	ir: 3 8 5 4 6 8 9 9 0 5 8 5 3 4 5 2 2 9 5 5 7 5 5 10 2 6 14 5 8 33 17 16 8 9 5 3 4 19 8 4 18 71 38 17 6 1 4 5 4 3 10 5 4 12 10 8 6 4 3 5 3 6 7 25 19 13 9 6 6 6 12 1 5 8 3 5 8 11 13 36 24 13 6 2 4 5 14 6 9 8 24 15 8 6 3 5 10 20 6 4 14 8 9 35 15 13 16 5 5 3 6 6 12 5 3 4 4 6 2 5 4 4 3 8 10 11 5 8 17 11 8 13 5 6 8 11 8 8 7 8 15 18 26 18 10 10 14 42 18 8 3 10 16 29 13 13 9 21 15 4 15 6 3 5 10 5 7 6 4 2 3 4 3 2 3 3 3 2 3 4 2 2 3 3 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 3 1 2 4 3 1 3 3 2 1 3 3 3 2 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 4 3 2 3 4 4 6 8 7 5 4 6 10 13 7 13 24 26 100 51 31 16 11 9 4 3 2 5 7 3 3 4 4 3 3 4 4 3 4 6 8 27 53 30 7 5 4 4 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 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3; 1HNMR: 90 89 s 1H \| 76 75 m 2H \| 74 73 m 5H \| 74 73 m 4H \| 73 72 dq 1H J 10 81 \| 67 67 d 1H J 159 \| 35 34 dq 1H J 22 163 \| 32 31 dq 1H J 24 163 \| 23 23 d 3H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(=O)Nc1cccc(-c2nn(C(C)C)c3ncnc(N)c23)c1	ir: 4 5 3 4 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 4 3 4 5 4 4 4 4 4 4 3 4 4 3 3 3 4 3 3 4 11 22 14 6 7 4 4 4 4 10 9 4 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 6 4 4 4 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 3 3 3 3 5 3 3 3 3 2 2 3 3 3 2 3 4 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 4 4 5 4 4 8 16 9 7 4 4 6 8 14 38 0 4 99 100 7 4 2 3 5 3 2 3 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 8 12 5 3 3 3 3 3 3 3 3 2 3 3 3 3 3 2 3 9 10 3 3 3 10 8 3 3 3 4 3 8 44 4 4 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 98 97 s 1H \| 84 83 s 1H \| 80 79 t 1H J 22 \| 77 76 ddd 1H J 13 22 79 \| 76 76 ddd 1H J 13 22 84 \| 75 74 dd 1H J 78 85 \| 69 69 s 2H \| 64 63 dd 1H J 107 162 \| 60 59 m 2H \| 49 48 hept 1H J 49 \| 16 15 d 6H J 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1cc(Cl)ccc1-n1ccnn1	ir: 2 4 3 4 3 5 6 31 11 9 6 3 2 3 3 3 5 3 7 9 12 18 8 9 14 10 16 9 16 16 8 4 6 5 13 9 31 20 9 9 12 15 15 42 46 13 5 5 6 3 3 3 3 4 36 12 3 6 3 3 3 4 3 2 3 4 2 19 7 3 3 7 14 9 5 5 3 5 4 4 4 12 5 3 4 7 6 3 4 4 7 2 17 6 5 4 4 12 17 5 5 9 16 6 3 9 13 6 4 5 10 4 5 3 3 4 5 4 5 5 9 7 7 8 9 13 11 10 8 5 4 4 4 5 11 8 5 5 8 100 25 20 10 30 23 19 21 49 7 3 6 66 5 5 12 17 3 4 3 0 44 2 6 4 3 1 2 3 2 1 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 2 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 4 4 3 4 3 3 4 6 7 3 4 10 10 24 10 7 14 8 6 3 4 3 3 3 3 3 2 3 3 4 3 3 5 11 15 13 42 71 25 13 10 9 7 5 3 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 86 85 d 1H J 24 \| 85 85 q 1H J 21 \| 81 80 dd 2H J 23 59 \| 79 78 d 1H J 87 \| 77 77 s 1H \| 75 75 dd 1H J 26 86 \| 74 73 d 1H J 73 \| 64 63 d 1H J 79 \| 41 41 dddd 1H J 20 37 55 73 \| 41 40 ddddd 1H J 16 23 42 52 94 \| 21 19 m 2H \| 19 18 m 1H \| 18 16 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)[C@H](CC1CCCCC1)N1Cc2cccc(F)c2C1=O	ir: 3 2 4 5 2 3 4 5 6 13 6 38 0 12 9 8 3 11 13 21 45 19 5 5 9 8 8 8 23 8 5 2 2 3 3 1 2 3 3 2 3 5 9 4 4 6 45 12 10 4 2 2 3 6 3 4 3 2 2 1 2 4 4 2 2 3 3 2 3 4 2 1 3 4 4 3 6 16 36 47 7 40 10 7 8 4 2 4 5 4 2 5 3 2 1 2 4 9 7 5 5 4 1 2 3 3 3 6 8 8 6 9 13 13 3 3 4 3 5 10 5 6 5 4 8 4 1 4 5 4 5 3 3 3 10 6 4 4 3 9 10 3 4 3 15 10 7 58 3 2 2 8 7 5 2 2 6 10 10 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 2 3 4 4 5 5 3 3 4 4 4 4 9 4 8 22 10 6 4 2 3 3 2 1 29 100 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 74 73 td 1H J 51 82 \| 72 72 ddd 2H J 13 81 92 \| 46 45 m 2H \| 45 44 dd 1H J 8 135 \| 20 19 ddd 1H J 75 82 128 \| 19 17 m 2H \| 15 12 m 10H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C)c2c(c(Br)c1NC(=O)CC(C)(C)C)C(c1ccc(C(C)C)cc1)CO2	ir: 0 2 3 2 2 3 2 3 1 1 1 1 1 3 5 7 6 8 4 7 16 15 13 14 15 10 18 14 7 4 7 10 12 1 7 8 11 6 4 7 12 3 21 20 9 4 4 3 5 8 9 8 10 3 15 43 4 8 2 5 5 8 7 5 18 6 2 2 2 13 3 0 1 2 1 2 2 6 3 1 3 3 1 2 1 1 1 1 1 2 1 2 3 4 33 7 7 2 3 7 4 2 1 1 3 4 11 44 4 4 10 2 4 8 4 6 11 6 5 12 17 12 5 8 19 26 5 2 3 13 27 4 4 4 1 2 2 2 2 2 2 3 6 6 39 35 64 52 17 23 3 5 7 9 2 19 9 1 1 2 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 4 3 2 2 3 3 4 2 4 6 6 5 13 29 49 15 31 50 42 12 4 2 4 3 1 2 3 2 2 2 1 2 1 1 3 3 3 2 7 20 100 22 17 3 6 8 6 2 2 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 81 s 1H \| 72 71 m 4H \| 47 47 m 1H \| 46 45 dd 1H J 40 110 \| 43 43 dd 1H J 40 110 \| 29 28 m 1H \| 25 24 s 2H \| 22 21 d 7H J 81 \| 13 12 d 7H J 66 \| 10 10 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1nccnc1NCCN	ir: 0 1 4 1 2 4 1 1 2 2 3 13 6 2 4 3 3 5 4 2 2 3 4 2 6 18 21 12 24 11 6 2 8 3 3 7 6 5 8 9 37 13 11 3 5 3 2 4 34 37 3 2 4 5 13 12 4 2 2 1 1 1 2 2 1 5 3 1 7 9 12 6 8 16 26 2 3 2 32 3 3 15 3 2 1 1 1 1 1 6 1 1 1 2 3 2 3 5 13 2 2 0 1 1 1 2 6 3 1 1 2 3 7 2 1 5 2 2 4 5 11 5 10 3 8 7 9 3 3 2 5 4 12 19 14 8 4 17 9 5 40 4 4 3 3 9 8 10 30 12 4 9 10 4 16 5 14 2 17 3 1 2 2 12 20 2 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 0 1 1 1 4 6 4 9 18 23 7 3 3 2 1 1 1 1 1 2 2 5 12 16 4 5 1 4 8 7 15 38 100 34 20 3 4 6 3 2 2 2 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; 1HNMR: 98 97 s 1H \| 92 92 s 1H \| 87 86 d 1H J 38 \| 82 82 d 1H J 38 \| 81 80 t 1H J 22 \| 80 79 t 1H J 53 \| 79 78 m 2H \| 76 76 dd 1H J 22 81 \| 75 75 ddd 1H J 13 22 77 \| 75 74 t 1H J 77 \| 73 72 dq 1H J 9 81 \| 37 37 dt 2H J 44 55 \| 30 29 tt 2H J 44 62 \| 23 22 d 3H J 9 \| 18 17 s 5H \| 16 16 t 2H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1cc(Oc2ccc(Cl)cc2)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1	ir: 3 2 2 2 1 3 2 2 4 3 2 2 2 1 1 1 1 2 2 1 1 1 1 2 1 2 1 3 10 3 2 11 9 2 1 2 2 2 5 10 48 35 7 0 4 3 7 18 12 5 3 1 3 5 23 13 11 9 2 1 2 3 1 2 3 2 3 11 15 5 2 1 1 1 1 1 2 2 1 3 2 3 3 2 3 2 4 2 2 1 1 2 2 2 2 1 3 4 2 2 2 1 1 1 1 1 1 3 4 2 5 4 3 2 1 3 7 34 8 5 6 3 3 1 2 1 2 5 5 4 2 1 2 1 1 1 1 1 1 2 3 3 2 3 3 8 16 8 4 17 3 3 7 3 2 20 3 0 2 33 65 9 3 3 3 3 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 3 2 4 4 3 16 53 31 6 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 10 100 11 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; 1HNMR: 87 86 s 1H \| 75 74 m 2H \| 73 72 m 2H \| 71 71 m 2H \| 70 69 m 1H \| 69 68 m 3H \| 66 65 dt 1H J 8 19 \| 27 27 td 2H J 9 65 \| 18 18 s 2H \| 17 16 qt 2H J 64 75 \| 10 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C=Nc1ccc(Br)cc1C(F)(F)F	ir: 12 22 11 15 10 16 17 16 8 7 10 10 10 18 10 15 9 9 7 6 7 4 2 5 6 5 2 7 9 5 5 6 6 5 4 8 5 5 11 14 8 12 6 12 6 3 3 7 6 6 5 5 6 18 29 52 23 4 6 9 4 0 3 5 4 2 14 17 8 4 3 6 6 2 7 6 2 4 5 4 2 1 4 5 4 4 7 7 14 19 7 4 1 1 5 3 0 3 61 57 0 2 5 3 6 18 20 4 1 10 28 6 0 2 5 2 1 2 6 12 7 4 4 17 1 3 4 1 1 3 4 1 1 3 3 1 1 3 3 2 1 4 10 20 11 4 3 1 14 5 3 2 3 11 3 1 2 4 3 1 3 5 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 2 4 6 3 6 4 100 4 1 4 7 3 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 0 1 3 2 0 1 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 4 3 10 15 13 19 6 4 7 3 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 77 76 dq 1H J 9 20 \| 73 72 dd 1H J 22 75 \| 70 70 d 1H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nccc1CCOc1ccc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1	ir: 7 5 8 5 3 3 8 3 6 17 4 3 2 6 4 4 6 6 8 5 4 6 18 16 20 12 14 16 8 10 6 1 2 6 3 8 3 4 7 2 5 10 3 1 2 5 2 0 1 4 4 3 8 18 30 29 8 94 35 51 27 25 6 4 4 10 18 21 27 42 7 4 4 2 2 1 3 1 2 1 1 4 10 21 7 12 14 15 8 4 5 15 15 10 34 6 46 53 100 18 9 10 24 16 10 20 5 17 7 4 3 3 4 6 3 7 4 3 1 5 13 5 3 4 19 24 1 3 4 4 3 7 53 19 3 3 7 1 1 2 3 0 3 11 86 7 16 4 15 17 37 37 11 19 18 5 2 2 3 3 4 21 4 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 3 1 1 5 2 3 5 7 4 2 4 3 2 10 12 15 18 51 76 47 23 15 5 4 3 2 2 2 1 0 2 3 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 d 1H J 88 \| 74 73 m 2H \| 69 68 m 4H \| 61 60 dt 1H J 8 31 \| 43 43 t 2H J 59 \| 37 37 s 2H \| 35 35 m 4H \| 33 32 m 4H \| 30 29 td 2H J 9 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(c2ccsc2)C(=O)C1	ir: 5 3 5 11 13 9 7 6 6 14 42 19 7 5 5 6 8 12 4 8 4 3 3 6 5 3 1 2 1 1 0 1 1 1 1 1 1 0 1 7 27 2 2 7 22 37 22 10 4 3 2 4 23 7 2 2 10 17 11 9 6 5 5 2 2 2 4 3 5 2 1 1 2 11 2 1 0 0 0 1 1 7 4 3 2 1 1 2 3 5 2 5 4 4 1 4 4 3 2 2 4 2 5 5 6 4 3 2 1 3 2 2 5 11 39 12 6 25 23 27 9 6 14 11 12 6 3 10 3 22 24 12 13 11 7 13 13 2 2 3 1 1 1 2 2 3 15 7 9 30 100 11 1 5 1 0 1 6 13 36 10 2 1 1 2 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 2 1 5 2 2 5 5 3 4 3 2 3 6 5 16 55 4 10 6 9 27 57 13 9 4 4 3 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 t 1H J 17 \| 73 73 dd 1H J 16 57 \| 68 68 dd 1H J 16 57 \| 40 40 s 2H \| 40 39 m 2H \| 37 37 m 2H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nn1nc(Sc2ccccc2)c2ccccc2c1=O	ir: 4 4 5 5 4 4 3 4 6 4 6 5 5 4 4 4 4 5 8 7 16 11 5 7 6 4 5 6 9 10 17 19 8 6 6 9 9 9 10 12 23 24 26 38 9 9 10 14 6 7 6 5 5 4 4 4 4 4 4 5 5 4 4 5 15 7 6 6 10 5 5 5 4 3 7 9 5 4 5 5 4 3 5 8 6 5 5 5 5 5 4 4 9 5 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 25 7 6 6 5 6 14 57 4 6 5 4 5 5 9 22 27 13 6 7 6 8 22 9 4 5 5 8 8 8 7 13 13 26 14 5 6 11 10 10 4 5 5 3 4 11 8 4 4 5 5 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 4 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 4 4 4 4 4 4 3 4 5 5 3 5 10 13 40 59 0 5 8 5 3 4 6 4 4 5 6 6 5 6 5 8 44 28 9 7 6 5 5 4 4 5 5 14 100 23 7 4 4 5 4 3 3 4 4 3 4 4 4 4 5 7 4 4 4 5 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 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; 1HNMR: 83 82 dd 1H J 15 82 \| 81 80 dd 1H J 16 70 \| 78 78 td 1H J 15 80 \| 76 76 ddd 1H J 16 70 77 \| 74 73 m 4H \| 73 73 m 1H \| 66 66 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(C)(SCc1ccccc1)C(NC=O)C(=O)OCC	ir: 4 3 6 4 4 10 7 4 2 3 4 3 23 4 2 2 2 2 6 3 1 3 3 2 2 7 11 47 39 36 7 9 19 12 6 16 84 21 6 7 5 3 7 5 3 3 6 4 4 3 2 4 2 1 3 5 6 2 3 3 2 5 6 5 4 3 8 14 18 23 9 12 6 6 12 6 8 4 5 4 2 2 2 11 3 3 5 26 13 9 4 2 2 3 2 3 6 8 6 4 4 3 3 3 3 28 7 8 4 4 4 5 7 4 4 5 7 15 17 15 23 29 8 6 7 7 17 4 3 21 22 9 8 11 4 13 7 5 4 6 9 40 100 23 19 5 4 6 2 4 6 11 4 8 16 65 5 0 2 3 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 3 5 3 2 3 7 3 4 6 6 9 3 9 21 31 14 13 13 26 18 5 3 3 5 3 3 2 2 2 2 2 2 4 3 3 4 5 5 5 4 8 27 34 7 8 4 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 82 82 dd 1H J 18 66 \| 74 73 m 4H \| 73 72 m 1H \| 71 71 dd 1H J 66 97 \| 45 44 dp 1H J 15 97 \| 42 41 p 2H J 62 \| 38 37 d 1H J 137 \| 37 36 d 1H J 137 \| 19 18 dt 1H J 67 135 \| 16 15 dt 1H J 68 136 \| 15 14 m 1H \| 14 13 m 4H \| 13 12 m 7H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc2c(cc1Br)N(C)C(=O)CC2	ir: 5 3 6 5 3 4 4 4 2 7 5 4 1 1 1 2 3 1 1 2 5 2 1 10 5 5 10 12 9 2 2 2 2 12 8 5 4 4 18 10 30 13 6 1 1 2 4 29 23 13 2 2 1 1 1 1 2 2 2 3 7 2 2 0 2 5 7 8 5 4 4 4 3 2 1 1 1 1 5 2 1 1 1 1 1 1 1 1 1 1 4 4 4 1 1 5 4 1 1 1 2 1 2 2 2 7 9 4 6 7 7 3 2 7 14 6 4 9 7 12 11 9 18 12 1 5 15 19 8 21 27 7 4 8 10 5 33 23 7 2 1 2 3 2 78 84 17 59 100 4 2 10 1 0 0 2 1 0 1 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 2 4 6 5 2 2 2 2 3 9 20 12 9 9 3 7 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 s 1H \| 40 40 s 3H \| 36 36 s 3H \| 31 31 m 2H \| 28 28 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1OC(CO)C(O)C(O)C1O	ir: 34 42 20 26 12 7 13 11 12 7 7 13 7 15 11 13 10 6 2 5 6 6 2 3 3 3 2 3 2 3 3 2 2 4 2 1 1 2 2 3 1 2 1 2 2 3 4 3 2 2 2 1 1 8 4 5 2 1 1 2 1 1 2 6 2 1 2 2 2 2 2 3 1 1 2 2 3 4 3 4 2 2 2 3 5 7 19 30 85 67 54 60 49 100 77 13 17 9 3 3 5 4 3 5 5 3 1 2 2 2 0 2 2 1 0 1 2 1 0 2 2 2 1 4 3 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 0 0 2 7 5 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 3 1 2 3 1 0 1 2 4 3 3 4 4 4 4 3 2 0 2 3 2 4 49 62 36 72 64 54 8 3 1 0 2 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 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: 54 53 d 1H J 51 \| 47 46 m 1H \| 44 43 d 1H J 54 \| 43 42 m 2H \| 41 40 m 1H \| 40 39 m 3H \| 37 37 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1cc[n+]([O-])cc1C(=O)O	ir: 1 2 2 4 8 3 2 3 14 5 4 3 2 4 5 11 9 14 14 21 28 62 45 29 12 8 5 7 16 14 5 5 15 11 19 8 6 3 6 4 8 19 24 7 2 1 1 3 1 1 1 1 1 1 1 2 2 1 1 2 1 0 2 2 1 1 1 2 2 2 4 4 3 5 9 11 8 14 4 59 18 6 4 5 3 2 7 5 7 7 3 2 4 2 2 2 2 1 1 1 0 1 2 2 2 3 17 10 4 3 4 3 0 6 5 5 10 5 8 5 8 4 4 2 1 2 3 3 2 3 3 1 1 1 3 4 5 7 3 2 1 7 3 1 3 5 19 30 9 4 8 12 6 5 2 2 1 2 1 0 1 2 1 6 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 2 1 1 2 2 3 1 2 2 1 3 3 7 18 12 20 26 4 3 2 2 1 0 2 5 19 100 3 1 2 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 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 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 51 50 s 1H \| 42 42 d 1H J 62 \| 33 33 d 1H J 62 \| 21 20 t 2H J 89 \| 16 15 m 2H \| 14 13 m 2H \| 10 10 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCCCCOC1CCN(C(=O)Cc2ccc(F)cc2)CC1	ir: 12 3 3 4 2 4 8 5 2 4 17 8 5 4 4 4 2 4 9 15 7 3 3 5 10 2 4 4 3 2 2 3 2 1 1 2 2 6 4 3 11 2 3 3 4 2 2 6 12 3 2 8 9 4 10 12 23 14 4 4 2 2 2 6 7 3 3 8 4 6 6 4 5 8 5 4 2 2 1 1 3 7 7 7 9 9 16 28 28 5 5 4 3 3 4 5 5 6 5 5 3 5 4 3 4 3 8 7 4 6 15 3 4 7 9 3 4 6 4 10 8 9 17 13 8 8 5 11 4 6 3 4 3 7 12 4 3 5 5 3 2 3 4 1 1 11 21 31 100 11 2 2 26 1 0 2 1 0 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 3 2 2 4 6 6 4 3 2 3 5 2 4 25 30 8 55 77 15 13 4 0 4 4 2 0 2 3 2 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 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 ddt 2H J 9 34 80 \| 71 71 m 2H \| 38 37 p 1H J 44 \| 37 36 ddd 2H J 62 89 123 \| 35 35 t 2H J 9 \| 35 34 t 2H J 62 \| 34 33 ddd 2H J 61 89 123 \| 29 29 q 4H J 69 \| 25 24 t 2H J 61 \| 21 20 dddd 2H J 44 62 90 133 \| 19 18 dddd 2H J 44 61 88 132 \| 16 15 m 4H \| 14 13 m 2H \| 11 10 t 6H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(C)cc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OC)C2)c1	ir: 4 6 2 3 2 2 1 1 3 1 1 1 1 3 1 2 8 7 10 7 5 2 5 2 2 4 3 1 0 1 3 18 5 1 2 1 3 0 0 0 0 1 1 1 6 1 1 1 1 1 4 4 2 1 2 7 2 1 5 5 2 5 7 1 8 6 5 20 11 11 6 10 29 14 6 5 9 13 2 8 3 12 5 1 2 1 5 3 2 1 1 0 1 2 6 5 17 3 3 6 8 27 8 16 5 4 7 25 5 9 5 6 6 35 15 14 18 8 18 14 11 24 5 10 11 8 12 4 7 7 3 8 3 4 11 4 17 9 4 0 0 1 1 4 22 2 4 14 14 2 1 1 0 3 1 0 0 0 0 1 2 19 12 1 0 0 0 3 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 2 1 1 5 4 3 4 2 8 7 4 6 7 7 10 24 12 16 49 17 17 100 19 4 4 2 2 1 2 1 2 3 26 24 2 0 1 2 1 1 2 3 0 1 4 16 15 6 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 t 1H J 27 \| 73 72 t 1H J 21 \| 69 68 d 1H J 96 \| 67 67 m 1H \| 44 43 q 2H J 64 \| 41 41 ddq 1H J 16 33 61 \| 41 40 dddd 1H J 27 41 55 96 \| 36 36 m 2H \| 34 33 m 5H \| 29 28 q 2H J 69 \| 23 23 s 3H \| 22 21 dddd 1H J 27 60 88 130 \| 19 18 ddt 1H J 57 86 128 \| 14 14 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCN(Cc2ccc(OC(F)(F)F)cc2)C[C@H]2C[C@@H](Oc3cnc(C4CC4)cn3)CN12	ir: 7 7 13 9 4 5 20 67 7 6 9 7 14 20 22 8 10 8 15 20 22 12 5 25 11 8 3 2 4 4 7 7 7 6 6 10 32 12 5 7 8 37 5 3 1 1 2 2 2 2 2 3 3 9 13 32 16 24 5 1 5 4 3 9 5 8 2 2 4 45 74 15 3 26 9 10 5 2 2 2 1 7 32 31 16 13 9 4 7 12 2 5 3 9 37 70 77 28 29 100 16 92 60 17 18 11 17 8 19 22 16 8 12 13 21 5 6 5 2 2 3 6 5 7 3 6 22 10 6 6 10 13 21 27 13 8 1 5 4 16 4 1 2 4 5 5 13 31 70 33 7 10 11 4 2 4 1 2 2 1 1 1 2 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 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 1 1 1 1 1 1 1 2 2 1 7 3 5 5 2 6 8 8 7 10 31 16 20 92 19 7 16 16 3 3 2 2 2 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 82 82 d 1H J 7 \| 80 79 s 1H \| 72 71 m 4H \| 54 53 dddd 1H J 13 22 41 84 \| 40 39 dt 1H J 21 116 \| 39 38 m 1H \| 38 37 dd 1H J 42 117 \| 37 36 m 2H \| 30 29 m 2H \| 29 28 dd 1H J 48 110 \| 27 26 m 2H \| 26 25 m 1H \| 24 23 m 1H \| 22 21 m 2H \| 13 12 m 2H \| 12 11 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c1c(O)c(C(=O)O)c(=O)n2C	ir: 0 1 3 2 1 1 4 2 2 5 4 7 7 7 8 12 8 12 4 13 13 25 39 28 13 21 22 11 5 4 3 2 1 2 3 4 2 3 3 4 2 3 2 2 2 2 3 2 25 70 13 4 9 5 3 2 2 2 1 1 1 4 2 2 3 4 2 1 3 2 6 1 13 4 7 23 17 40 10 6 11 9 5 5 2 5 3 6 8 3 3 3 7 6 36 27 7 6 2 1 2 1 1 1 2 1 1 1 3 6 15 11 3 14 5 8 3 2 2 2 2 2 1 5 5 3 2 4 2 31 1 3 2 1 1 2 2 1 2 4 4 6 1 4 3 2 2 2 22 2 4 41 6 1 3 4 9 15 7 6 14 6 76 30 4 1 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 2 2 1 2 6 8 10 11 12 6 4 5 17 100 10 4 9 50 5 1 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 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 0 1 1; 1HNMR: 74 74 m 1H \| 73 73 dd 1H J 11 77 \| 68 68 dd 1H J 12 83 \| 39 39 s 3H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C=Cc1cnc(C2CC2)nc1	ir: 2 3 6 9 4 15 4 5 5 4 2 3 4 6 12 7 7 1 2 1 2 2 2 3 2 5 8 31 24 9 5 2 1 7 5 3 22 67 32 60 20 2 4 9 5 0 2 4 3 2 3 10 5 2 5 3 3 1 1 2 1 0 1 2 3 2 1 2 1 1 13 3 2 1 7 5 2 1 2 2 6 35 25 41 2 2 3 3 2 2 2 3 3 2 3 6 4 4 4 3 3 3 2 2 1 1 3 5 2 2 4 7 3 7 6 4 2 3 4 16 100 15 13 4 3 3 3 7 13 21 6 2 1 2 2 1 1 2 3 4 10 34 53 18 47 20 8 4 5 7 5 3 23 6 5 2 6 71 15 2 3 5 3 1 2 3 7 53 4 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 2 2 1 4 8 7 5 12 12 28 13 27 20 6 6 5 8 3 2 1 2 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 94 94 s 2H \| 78 78 d 1H J 170 \| 65 64 d 1H J 170 \| 42 41 q 2H J 61 \| 31 30 p 1H J 56 \| 13 12 t 3H J 61 \| 12 11 m 2H \| 10 9 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2cc(-c3ccc(F)cc3)c(N3CCCc4cc(Br)ccc43)cc2c1	ir: 5 15 25 6 2 7 6 10 3 3 11 14 7 3 1 2 2 3 3 2 1 1 2 6 25 7 3 2 1 1 1 0 1 5 4 2 1 5 2 0 1 1 2 2 1 2 1 1 1 3 2 0 4 10 14 58 31 9 3 2 3 2 2 1 3 4 4 4 16 11 6 15 28 5 4 9 4 2 4 3 1 3 3 3 11 21 10 4 1 1 1 2 2 2 1 2 3 6 4 1 3 3 3 52 6 10 1 1 3 1 2 4 7 6 2 3 10 7 9 2 2 2 8 3 13 3 1 2 3 3 1 1 2 1 0 1 1 0 0 3 6 4 39 7 5 19 16 7 11 4 10 12 22 21 3 1 2 3 2 1 0 2 4 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 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 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 2 1 3 3 2 1 2 4 4 5 19 7 24 100 40 23 9 5 3 4 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 84 dd 1H J 14 21 \| 80 79 m 1H \| 79 78 m 2H \| 75 74 m 3H \| 73 73 dd 1H J 22 88 \| 73 72 m 2H \| 71 71 dt 1H J 8 23 \| 69 68 d 1H J 88 \| 39 39 s 2H \| 37 37 m 2H \| 29 28 tdd 2H J 9 20 70 \| 21 20 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Br)C(=O)c1nc(C(C)(C)C)c(O)c(C(C)(C)C)n1	ir: 4 3 1 2 4 4 3 3 6 6 3 4 3 7 2 16 7 15 5 4 7 6 5 6 10 3 4 6 3 2 2 3 2 2 2 3 5 15 5 4 4 8 6 4 16 11 3 2 1 1 2 3 2 2 2 3 12 4 2 1 6 2 19 8 9 3 2 3 3 4 2 3 4 1 2 2 1 2 3 2 5 5 4 17 22 12 16 30 20 2 4 3 1 3 7 9 6 5 8 5 3 5 25 5 4 4 3 2 4 3 4 7 8 10 4 5 3 6 19 10 7 9 10 5 10 4 5 3 2 7 14 6 5 3 4 2 1 3 3 24 42 1 2 2 2 1 1 6 2 3 9 11 31 2 1 1 1 2 1 1 1 2 1 1 2 3 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 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 3 2 2 3 3 3 3 2 2 3 3 4 3 1 2 3 2 1 3 7 10 2 5 14 36 13 4 2 2 1 2 4 2 0 8 77 100 9 5 1 2 2 2 1 2 2 1 1 2 1 1 1 1 1 2 2 1 1 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 65 64 s 1H \| 48 47 q 1H J 81 \| 19 19 d 4H J 81 \| 15 15 s 17H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C(=O)c1ccc(C#CCCCCOCCCCCCBr)o1	ir: 1 1 2 3 5 6 3 3 1 2 6 2 1 3 4 5 2 2 3 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 3 2 5 2 4 1 9 1 3 7 17 23 8 9 3 0 3 5 1 1 3 3 5 31 10 4 2 3 4 5 3 2 4 3 6 9 8 12 2 0 2 1 0 0 1 1 0 1 12 11 3 1 2 2 2 2 2 1 1 0 1 1 1 2 2 2 4 2 3 3 5 6 6 8 4 6 10 9 6 11 7 6 2 37 100 29 12 13 2 6 2 2 3 4 2 1 3 3 5 6 9 1 1 1 1 0 1 1 1 0 0 1 1 1 6 26 14 4 25 7 3 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 1 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 1 1 2 4 2 2 2 4 5 2 2 3 5 3 3 6 15 24 7 3 4 6 36 10 22 2 1 1 1 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 d 1H J 55 \| 64 64 d 1H J 55 \| 35 34 m 6H \| 34 33 q 4H J 71 \| 26 25 t 2H J 57 \| 19 18 tt 2H J 47 76 \| 17 14 m 10H \| 12 11 t 6H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOC(CO)C2)cc(=O)[nH]1	ir: 7 3 10 2 3 6 8 5 7 3 8 4 3 1 1 3 1 2 2 2 1 2 1 3 6 6 11 5 3 2 1 4 20 7 2 3 4 2 4 13 5 6 17 19 4 2 1 2 1 4 6 12 8 1 1 1 2 2 4 5 2 1 1 1 1 1 1 1 1 3 3 1 5 1 3 2 14 4 3 1 2 2 1 4 4 5 15 27 4 6 3 1 3 2 2 3 2 1 1 2 1 1 1 1 1 2 0 1 1 1 3 7 2 2 1 1 1 2 3 2 3 3 3 2 2 1 5 2 2 2 1 2 7 2 1 3 5 5 3 6 5 18 10 2 1 2 3 18 2 2 2 16 31 28 16 3 5 33 7 4 3 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 3 2 3 1 1 2 1 2 2 0 14 11 9 8 14 7 4 3 2 2 3 30 38 100 33 4 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 3H \| 71 70 td 1H J 15 79 \| 50 50 s 1H \| 47 46 pd 1H J 50 73 \| 39 38 m 3H \| 38 35 m 10H \| 30 30 ddd 1H J 8 49 137 \| 28 27 ddd 1H J 7 69 137 \| 14 13 d 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOn1nnc2ccc(Cn3ccnc3)cc21	ir: 0 4 2 1 5 4 1 1 3 2 2 1 1 2 1 1 1 1 1 1 0 1 1 1 1 0 0 0 0 1 1 3 4 13 4 1 1 0 1 1 1 1 1 1 10 5 4 24 6 0 1 2 1 0 3 5 2 2 2 4 2 1 4 1 4 14 8 13 10 1 1 7 2 1 1 0 1 1 3 2 3 2 1 1 1 1 4 2 2 2 2 1 4 5 14 12 5 3 2 2 1 7 18 5 2 3 7 1 1 2 1 2 9 4 3 3 7 3 3 6 4 5 9 7 1 1 3 7 5 4 1 1 1 1 1 0 0 0 0 0 1 3 0 0 0 0 1 1 0 0 0 0 1 10 3 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 1 0 0 0 0 0 0 0 0 0 0 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 2 1 1 2 2 1 4 1 1 2 2 2 2 6 9 2 22 19 23 100 14 3 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dq 1H J 9 21 \| 78 78 d 1H J 73 \| 77 77 tt 1H J 9 16 \| 74 74 ddt 1H J 9 20 73 \| 71 70 ddt 1H J 9 18 37 \| 70 70 dd 1H J 17 37 \| 52 52 p 2H J 8 \| 42 42 t 2H J 50 \| 37 36 t 2H J 50 \| 34 34 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)/C=C/c1nc(CSc2ccccc2Cl)ccc1OCCc1ccccc1	ir: 1 1 1 2 3 1 4 3 3 5 3 16 17 4 2 2 1 2 5 3 3 19 44 18 5 3 6 3 2 4 9 5 3 2 1 3 3 4 7 16 23 16 14 14 8 3 1 2 2 1 1 1 6 13 9 2 2 4 2 1 1 1 1 1 2 2 3 2 7 5 2 1 1 2 3 1 3 13 47 9 1 5 9 4 3 4 4 8 4 4 2 1 0 0 0 1 1 7 14 3 1 1 5 10 0 1 2 2 3 1 1 2 2 3 2 1 1 1 1 1 1 1 1 1 2 3 2 2 3 6 8 5 3 3 7 8 25 16 17 8 4 6 4 3 5 100 10 20 14 4 26 8 3 1 1 1 1 2 4 5 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 1 1 2 2 1 1 5 5 6 11 22 11 17 48 35 14 7 5 2 2 1 1 8 26 1 2 1 0 2 1 0 0 1 1 0 0 1 1 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 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: 78 77 d 1H J 167 \| 75 74 dd 1H J 15 74 \| 73 71 m 10H \| 68 68 d 1H J 77 \| 68 67 d 1H J 167 \| 44 43 d 2H J 7 \| 42 42 t 2H J 59 \| 30 29 tt 2H J 8 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(Br)cc1N1CCCS1(=O)=O	ir: 1 2 1 1 2 2 2 7 1 1 4 15 4 2 3 3 3 4 6 4 3 29 38 10 5 7 1 3 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 2 4 1 1 2 1 1 2 13 3 1 1 1 1 1 1 8 2 2 2 8 3 1 1 2 1 1 1 1 3 2 5 33 2 4 2 2 3 2 6 9 7 22 10 5 2 3 3 1 1 1 1 3 5 2 2 1 1 1 1 2 1 1 1 1 2 5 4 1 1 2 3 2 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 5 5 2 1 1 1 1 1 2 8 2 1 6 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12 7 5 11 4 4 1 1 1 1 1 0 6 100 8 4 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; 1HNMR: 78 78 d 1H J 86 \| 73 73 dd 1H J 22 86 \| 72 72 d 1H J 22 \| 41 41 dd 2H J 54 63 \| 33 33 dd 2H J 67 76 \| 22 21 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Sc2ccc(O)c(C)c2)ccc1O	ir: 1 2 1 2 3 4 2 1 1 2 2 3 2 2 4 5 3 2 2 2 1 2 2 1 2 2 2 1 1 2 1 1 1 9 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 10 35 8 5 3 2 2 2 2 2 3 3 7 2 1 4 3 3 6 3 3 2 2 2 41 92 13 2 3 5 29 8 2 1 2 14 21 5 3 3 2 2 2 2 2 2 2 2 2 5 2 1 1 2 1 1 1 2 1 1 1 2 3 11 2 2 1 3 5 2 2 1 2 2 2 2 4 3 1 1 2 2 1 0 2 2 0 0 4 23 100 6 0 0 2 2 9 1 2 17 1 1 3 2 0 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 2 2 1 1 1 2 2 2 2 2 2 2 3 3 4 7 3 11 12 42 3 3 3 3 4 7 61 18 5 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 72 dd 2H J 21 83 \| 72 71 m 2H \| 67 67 d 2H J 83 \| 66 65 s 2H \| 22 22 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]nc(Nc2ccnc3ccc(S(=O)(=O)C(C)(C)C)cc23)c1CO	ir: 1 2 2 12 7 3 14 22 10 8 7 2 3 4 27 16 17 9 7 6 7 5 3 1 2 7 4 6 13 15 22 12 10 13 23 49 19 7 4 2 2 1 3 2 1 1 2 5 11 23 40 18 5 10 4 17 18 36 32 4 6 6 4 2 17 16 5 3 3 5 3 4 3 10 15 3 3 6 8 15 9 7 3 23 53 7 18 48 19 10 24 40 34 6 21 14 20 22 28 2 5 5 0 2 4 15 26 8 2 3 1 1 4 15 40 15 4 4 1 7 3 12 5 2 4 13 6 5 4 3 2 2 5 3 4 3 2 0 0 2 3 9 7 2 2 1 5 3 13 18 15 43 28 19 49 35 6 4 2 5 7 21 100 17 5 4 8 11 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 2 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 2 1 1 1 1 2 1 2 2 1 0 1 3 2 1 2 5 2 8 10 8 15 46 82 6 7 2 4 3 5 32 22 7 3 2 2 2 1 4 4 5 2 6 4 6 24 23 28 49 32 19 7 4 3 1 3 2 1 2 2 2 1 1 2 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 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; 1HNMR: 87 86 s 1H \| 86 86 m 2H \| 83 82 d 1H J 80 \| 82 82 dd 1H J 22 79 \| 71 70 d 1H J 42 \| 49 48 m 2H \| 48 48 dd 1H J 49 68 \| 23 22 s 3H \| 13 13 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCCCC[C@H](NC(=O)OC1CCCC1)C(=O)O	ir: 3 5 1 2 2 4 1 1 2 3 1 6 8 5 8 9 6 5 3 9 29 36 5 7 4 6 4 13 12 6 13 20 11 12 8 1 2 1 2 1 1 2 2 1 1 1 2 2 1 2 1 2 1 3 1 2 1 2 3 2 3 2 2 1 1 1 2 3 3 2 4 5 2 3 4 6 11 33 22 9 13 6 4 3 3 5 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 3 2 1 2 5 4 2 6 2 3 4 8 3 2 4 4 9 3 9 3 2 2 2 1 1 1 1 1 1 2 1 2 4 4 6 5 4 4 17 25 19 8 8 5 5 100 4 3 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 1 2 2 2 2 2 1 4 4 5 2 3 49 3 7 6 3 2 3 2 2 3 1 1 24 73 24 3 2 0 1 1 0 1 0 0 1 1 2 2 26 3 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; 1HNMR: 65 64 d 1H J 91 \| 59 57 m 1H \| 51 51 m 1H \| 50 49 m 2H \| 42 42 dt 1H J 62 93 \| 21 20 tdt 2H J 14 67 80 \| 20 19 m 2H \| 19 15 m 8H \| 15 14 m 1H \| 14 12 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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