Datasets:

DeerEyeRain
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sel_dataset

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train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
O=c1oc(-c2ccccc2)cc(O)c1SCc1cccc(Oc2ccccc2)c1	ir: 15 35 44 8 3 4 14 7 3 3 4 1 2 1 1 2 1 1 1 1 1 1 2 3 1 2 1 1 5 5 9 15 15 10 2 2 3 4 2 1 6 39 17 8 4 1 2 9 8 8 2 3 1 0 1 2 1 0 1 2 1 0 1 2 2 1 2 19 14 12 7 7 3 5 5 4 2 3 9 4 2 4 5 3 1 3 2 3 9 55 36 9 2 1 1 1 0 3 5 2 0 1 2 1 0 1 1 1 3 1 3 1 1 2 3 1 1 2 3 2 3 5 3 1 0 1 4 5 3 4 13 1 1 2 4 9 10 6 1 4 11 12 12 13 14 5 4 4 3 1 3 8 47 17 5 11 14 18 2 0 3 3 2 7 3 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 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 2 4 8 6 15 20 100 37 16 11 11 6 4 4 37 32 14 7 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 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 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: 78 78 m 2H \| 75 74 m 1H \| 74 72 m 6H \| 72 72 ddq 1H J 10 22 73 \| 71 71 tt 1H J 14 75 \| 70 70 m 2H \| 69 69 ddd 1H J 12 22 80 \| 68 68 tt 1H J 9 22 \| 64 64 s 1H \| 42 42 t 2H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccccc1	ir: 4 1 0 1 2 2 2 1 2 1 2 9 6 5 4 4 6 6 3 3 5 3 4 12 6 3 9 7 10 16 14 8 6 3 2 1 3 6 8 6 6 2 2 3 1 1 1 1 1 1 1 1 1 11 12 9 1 2 1 1 1 2 3 0 9 4 4 11 6 5 4 3 1 1 1 1 1 2 1 2 4 2 1 0 31 29 5 2 1 1 2 4 1 1 1 1 2 4 9 8 1 2 4 2 1 1 1 1 0 1 1 1 0 6 3 1 0 1 2 3 10 3 2 2 1 1 5 5 1 1 1 1 2 2 6 9 4 2 1 1 1 1 4 10 5 3 2 1 1 3 3 1 1 3 4 2 6 14 27 6 3 1 9 5 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 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 2 3 8 8 28 18 8 4 2 1 1 1 1 1 1 1 1 1 1 1 1 2 16 13 1 1 1 1 1 1 1 1 3 3 100 23 3 2 2 2 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 80 79 m 2H \| 79 79 d 1H J 123 \| 76 75 m 3H \| 75 74 ddq 1H J 13 26 123 \| 73 73 dq 1H J 9 20 \| 67 66 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(NN)c(F)c1	ir: 1 2 1 1 1 3 0 1 5 6 2 12 1 1 1 1 5 6 13 21 7 15 4 2 1 1 1 1 1 2 2 4 2 0 1 1 5 6 4 1 1 1 2 1 1 2 3 7 6 3 13 13 10 8 11 11 2 3 5 1 2 2 1 2 3 13 9 2 2 0 0 1 0 0 0 1 0 3 3 21 1 2 1 1 2 20 7 2 3 2 5 0 1 0 0 0 1 0 0 1 7 21 1 1 1 1 1 1 1 0 0 1 1 1 2 4 0 1 1 2 1 2 11 3 1 0 1 1 1 1 0 1 1 2 1 4 6 27 14 13 4 3 7 6 1 2 9 1 1 1 0 2 9 10 2 0 1 0 1 0 0 0 2 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 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 3 3 1 3 14 5 7 6 2 1 1 0 0 0 0 1 1 1 1 2 3 14 3 2 2 1 2 2 4 18 100 30 27 5 2 1 0 1 0 0 1 3 1 1 0 1 0 0 1 0 1 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 21 101 \| 76 75 dd 1H J 22 121 \| 73 73 dd 1H J 47 101 \| 69 69 q 1H J 36 \| 60 60 d 2H J 37 \| 32 32 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(N2CSC(=NC(C)C)N(C(C)C)C2=O)c(C)c1	ir: 4 4 2 4 6 7 14 7 9 13 17 12 9 8 9 12 10 3 1 7 7 3 1 4 6 2 1 3 3 5 6 5 4 1 4 4 3 1 4 19 4 2 12 18 10 8 13 23 15 3 4 10 19 19 12 10 4 1 3 5 3 0 4 5 3 2 9 10 13 10 5 15 19 2 8 10 3 3 7 7 2 4 8 6 1 11 17 27 20 4 3 3 2 5 5 3 1 2 11 12 6 2 5 4 4 5 12 8 3 6 11 8 9 8 8 10 10 11 7 5 3 5 6 7 10 4 6 5 4 6 16 15 8 9 8 13 5 4 4 1 2 3 4 8 24 34 12 7 6 15 5 6 11 50 100 3 2 5 3 0 2 5 3 0 1 4 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 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 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 3 1 1 2 2 1 1 2 2 1 1 3 4 7 6 5 3 1 3 4 4 4 5 7 5 3 11 11 24 10 11 39 40 4 5 6 3 1 3 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 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 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 71 71 d 1H J 83 \| 70 70 dq 1H J 10 83 \| 69 69 m 1H \| 50 50 s 2H \| 47 46 hept 1H J 69 \| 34 33 dt 1H J 75 150 \| 24 23 t 3H J 7 \| 22 22 s 3H \| 15 14 d 6H J 68 \| 12 12 d 6H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(O)c2cc(Cl)ccc2n1	ir: 1 3 4 2 2 1 1 2 2 5 8 3 6 5 3 4 6 8 17 6 4 1 5 7 43 5 2 2 2 1 1 2 1 1 1 2 2 14 2 1 1 2 1 1 3 8 5 4 4 15 3 5 2 1 9 12 51 16 8 4 3 2 1 1 1 2 2 2 2 8 2 6 17 8 15 5 4 6 5 3 7 3 2 2 2 2 2 2 1 1 1 1 2 2 2 2 1 1 1 2 3 2 2 1 1 1 1 1 1 1 3 2 1 1 2 1 1 2 2 3 2 3 7 2 2 1 1 1 2 5 2 2 1 1 1 1 1 1 1 4 6 58 5 4 1 3 4 55 6 19 1 3 8 20 2 2 4 1 1 1 1 1 1 1 3 2 5 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 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 2 2 2 2 2 3 2 1 8 9 6 3 2 1 1 2 1 1 8 100 22 12 2 0 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 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; 1HNMR: 80 80 d 1H J 25 \| 80 79 d 1H J 82 \| 78 78 dd 1H J 26 82 \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1nc(CC2CCC2)cs1	ir: 4 1 0 2 3 2 2 2 2 3 2 3 5 4 5 9 8 6 1 1 2 2 2 4 3 3 3 3 3 8 7 6 7 6 2 1 2 2 3 5 5 2 3 4 8 5 6 4 6 4 3 5 3 6 6 8 5 8 16 9 33 17 22 10 35 14 13 8 6 15 4 5 7 6 13 6 5 2 3 6 1 9 10 36 54 48 43 30 23 26 16 13 10 8 8 6 8 22 25 23 57 40 100 47 19 11 5 3 2 3 2 3 1 3 3 3 4 12 8 13 12 14 8 2 1 2 3 2 3 4 4 7 7 14 30 26 5 9 8 2 3 7 17 7 2 2 2 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 0 1 1 1 1 1 2 1 1 2 2 0 1 4 2 2 8 15 12 17 21 8 10 16 24 32 47 77 57 35 26 38 17 10 5 3 4 7 4 4 2 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 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: 66 66 d 1H J 10 \| 48 48 d 2H J 52 \| 34 33 t 1H J 51 \| 28 28 dd 2H J 9 59 \| 22 21 m 1H \| 18 17 m 4H \| 16 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCCCCCCCC(=O)OCc1ccc(CBr)cc1)OCc1ccc(CBr)cc1	ir: 1 1 0 0 5 2 8 11 3 4 6 3 3 5 4 1 4 4 1 2 2 3 3 9 5 5 4 5 7 3 3 5 5 13 9 12 4 2 6 6 4 2 2 10 4 1 2 3 4 4 5 8 8 20 20 13 6 5 7 6 2 1 1 1 1 2 2 5 12 25 5 0 1 1 0 0 1 0 0 0 0 0 0 0 2 1 0 1 6 2 1 6 48 37 9 2 8 6 4 3 1 1 1 1 3 5 7 15 18 12 4 3 2 5 3 4 3 3 9 8 4 10 6 3 12 8 13 7 19 4 1 3 3 3 1 2 2 3 2 3 2 1 3 12 100 32 4 36 6 4 2 4 3 4 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 2 2 9 7 7 2 2 2 1 4 7 15 49 28 29 51 19 9 5 8 2 4 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 8H \| 51 51 m 3H \| 45 45 d 4H J 8 \| 24 23 t 4H J 85 \| 17 16 tt 4H J 74 85 \| 13 12 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccc(Cl)c(F)c1	ir: 1 1 2 2 1 3 7 6 3 4 4 6 10 3 12 3 3 3 3 2 2 3 3 2 1 2 2 1 3 2 1 1 1 2 2 4 4 5 11 3 2 2 1 3 3 6 47 10 3 2 4 8 11 100 27 39 8 4 9 5 3 8 2 0 2 5 2 2 11 13 8 2 43 51 24 7 3 5 5 6 3 5 13 4 3 2 2 2 3 15 10 4 3 7 1 2 3 1 2 2 3 2 1 1 1 2 1 1 2 1 1 1 8 12 2 2 4 5 10 11 6 3 4 3 3 6 7 4 4 3 3 6 27 9 6 49 20 4 3 4 3 3 2 2 3 2 7 35 10 4 18 3 4 27 4 2 1 1 1 2 1 1 3 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 2 1 2 2 2 2 4 10 16 61 22 11 7 8 3 2 2 1 2 2 3 2 3 5 7 40 3 7 2 2 4 16 22 6 2 1 25 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 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: 83 83 d 1H J 16 \| 79 78 dd 1H J 16 35 \| 76 75 m 2H \| 74 74 m 3H \| 72 71 ddd 1H J 7 21 92 \| 71 70 ddd 1H J 7 22 121 \| 40 39 td 1H J 10 67 \| 28 27 dtt 1H J 52 62 126 \| 27 26 dtt 1H J 53 64 126 \| 23 22 ddt 1H J 51 66 150 \| 21 20 ddt 1H J 53 68 152 \| 13 13 t 2H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCc1c(-c2ccc(S(N)(=O)=O)cc2)cnn(-c2ccc(F)c(F)c2)c1=O	ir: 7 8 10 8 6 4 1 1 2 2 1 1 1 2 5 11 5 3 5 4 5 6 4 7 2 0 1 1 1 0 1 1 1 0 0 1 0 1 1 1 1 0 1 1 1 2 3 2 5 2 4 3 1 3 14 69 8 4 3 1 1 2 3 10 3 3 5 13 10 4 2 2 1 1 1 4 3 2 13 12 24 7 34 12 22 63 100 7 61 31 19 8 5 5 8 3 3 7 8 6 5 2 3 2 4 4 1 7 2 2 2 2 2 3 4 5 19 15 62 39 5 5 7 14 6 4 10 12 6 2 1 1 1 4 1 1 0 1 1 2 3 39 1 1 1 2 2 6 1 28 0 2 2 4 1 1 1 2 10 1 1 1 1 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 2 3 2 3 6 8 5 7 13 19 6 3 1 1 1 1 1 1 0 0 0 1 1 1 0 1 17 29 4 8 8 12 50 58 11 11 5 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 m 2H \| 79 79 t 1H J 10 \| 79 78 m 2H \| 76 76 ddd 1H J 22 37 90 \| 75 74 ddd 1H J 47 91 102 \| 73 73 ddd 1H J 21 32 121 \| 72 72 s 2H \| 27 27 td 2H J 10 82 \| 17 15 dh 1H J 68 135 \| 15 15 td 2H J 65 81 \| 9 9 d 6H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCc1ccccc1-c1ccc(O)cc1	ir: 1 3 2 4 3 4 4 2 3 4 4 2 2 2 2 2 1 1 2 1 0 1 1 0 1 1 1 1 1 1 1 0 1 2 2 0 0 1 1 0 0 4 24 9 2 1 1 1 1 2 1 1 2 4 8 25 9 4 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 4 5 9 25 24 3 5 2 2 4 3 4 3 3 2 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 2 1 1 1 0 1 2 2 1 1 1 1 0 1 1 1 0 2 10 11 1 4 8 6 1 1 1 1 2 4 8 1 1 3 2 1 1 1 1 2 3 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 15 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 5 3 12 37 12 4 2 2 1 3 13 100 7 4 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 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 75 dd 1H J 18 71 \| 74 73 m 5H \| 69 69 m 3H \| 42 41 d 2H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C(=O)O)c1CC#N	ir: 9 4 4 2 4 2 3 2 7 6 3 3 4 3 4 3 6 7 6 6 11 34 80 22 19 6 12 9 2 2 2 2 2 2 1 0 1 3 5 15 4 2 2 0 1 3 10 11 12 4 4 2 1 2 1 1 2 4 3 3 4 1 2 2 2 2 3 4 2 1 1 2 1 2 4 6 7 32 17 84 5 9 4 3 3 2 0 0 4 2 1 8 8 4 4 2 3 3 4 2 2 1 0 1 1 1 0 1 2 1 0 1 1 2 1 2 6 8 8 7 4 1 1 1 2 1 1 1 1 2 2 2 3 1 1 3 2 7 4 5 3 6 3 5 27 19 15 7 5 1 1 2 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 2 13 3 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 2 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 3 4 5 6 8 15 7 2 1 1 1 2 4 100 87 64 8 2 2 1 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 77 dd 1H J 18 82 \| 73 72 t 1H J 82 \| 70 70 dd 1H J 18 82 \| 40 40 s 2H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c2c(c(=O)n1-c1ccccc1Cl)[C@@H]1CC[C@@]2(C)C1(C)C	ir: 7 6 2 4 9 7 3 11 9 4 2 5 6 5 3 4 5 3 2 4 5 3 5 9 6 3 2 4 4 2 2 9 6 4 5 14 19 48 29 13 23 100 95 41 20 1 6 15 10 3 6 11 5 5 5 8 5 2 6 8 6 5 4 9 8 3 4 11 11 10 16 17 10 8 20 18 5 4 8 11 5 7 10 8 3 5 10 23 15 5 8 5 4 5 16 20 6 5 12 15 4 5 6 4 1 3 6 12 5 10 10 5 13 8 7 9 8 13 18 11 2 6 10 4 2 7 8 7 3 10 10 5 3 7 9 6 13 18 8 12 22 10 17 12 4 7 7 9 6 6 5 0 2 9 6 87 93 2 10 13 3 4 3 2 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 4 4 2 1 4 4 2 1 4 4 2 2 5 4 2 2 4 4 1 2 5 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 5 3 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 1 2 5 4 3 4 7 5 3 3 7 7 4 7 7 8 16 13 18 44 4 30 80 47 8 10 6 4 2 4 5 3 1 4 4 3 2 4 5 2 2 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 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1; 1HNMR: 76 75 m 1H \| 74 73 m 2H \| 71 70 m 1H \| 37 35 m 2H \| 30 29 dddd 1H J 15 30 45 59 \| 20 19 ddt 1H J 62 77 125 \| 19 18 ddd 1H J 60 82 122 \| 18 16 m 2H \| 13 12 t 3H J 76 \| 11 11 s 2H \| 10 10 d 3H J 14 \| 10 9 d 3H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCOc1ccc(C(C)(C)C(=O)O)cc1	ir: 1 2 3 4 2 4 3 2 2 2 4 6 3 4 4 7 16 5 6 7 7 27 80 39 9 10 3 5 4 3 3 3 2 4 3 1 5 22 6 4 2 1 1 2 2 1 2 1 1 1 2 7 7 32 51 15 7 1 1 2 1 1 3 2 3 3 11 3 3 3 2 7 2 3 4 7 9 11 11 5 6 3 4 7 4 2 3 4 10 3 13 4 3 1 1 1 1 2 10 12 5 4 2 1 2 6 5 4 3 6 2 2 100 8 5 7 5 7 4 2 5 6 4 3 6 8 4 10 2 4 5 5 1 2 2 1 3 13 55 2 4 8 7 7 13 3 3 13 6 9 8 25 3 7 3 2 5 1 1 1 1 3 82 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 1 1 1 0 3 13 9 3 14 34 19 16 4 8 2 3 1 1 6 9 3 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 0 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 dq 1H J 13 26 \| 83 82 d 1H J 109 \| 82 81 ddt 1H J 13 30 110 \| 74 73 t 1H J 9 \| 73 72 m 2H \| 69 68 m 2H \| 43 42 q 2H J 67 \| 41 40 t 2H J 61 \| 26 26 td 2H J 9 87 \| 22 21 tt 2H J 62 88 \| 15 14 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(C)nc(NC(=NS(=O)(=O)c2cccnc2)SC)n1	ir: 2 1 1 1 4 2 1 1 1 1 2 3 6 4 2 1 0 1 8 2 1 1 5 4 1 1 1 2 2 3 4 3 1 7 8 4 3 6 3 4 3 2 3 1 4 9 4 4 4 3 8 4 36 21 11 18 9 6 16 14 23 13 28 11 13 15 5 11 11 3 7 1 2 1 1 1 1 4 2 1 2 1 1 1 4 6 3 4 1 0 1 1 0 1 2 4 7 1 13 3 1 2 15 3 1 1 1 1 3 17 3 2 1 12 6 2 1 4 3 7 4 10 9 6 3 3 4 1 2 3 1 0 0 1 1 1 3 7 20 4 3 1 1 3 4 23 35 63 100 5 6 4 3 4 2 1 1 5 13 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 1 1 2 4 4 7 8 5 9 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 23 6 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 92 s 1H \| 90 89 dd 1H J 13 19 \| 87 87 ddd 1H J 14 21 38 \| 83 83 dt 1H J 20 77 \| 76 75 dd 1H J 40 77 \| 40 39 s 3H \| 26 25 s 3H \| 25 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CC(=O)N1CCC[C@@H](Nc2nc(Nc3cc(C)ns3)nn3cccc23)C1	ir: 1 1 2 3 5 2 2 1 2 3 3 3 2 2 2 2 2 2 5 3 2 2 2 3 3 2 5 4 4 51 100 42 17 4 2 4 5 2 6 15 17 6 3 3 4 8 4 2 2 4 3 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 6 3 8 5 4 3 4 2 3 2 3 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 2 1 1 2 5 1 2 1 5 19 5 5 3 4 0 4 2 4 1 3 4 4 4 1 1 2 3 5 3 1 3 2 2 1 2 2 2 3 1 4 25 13 3 2 1 2 1 12 6 14 3 4 32 19 7 35 3 1 1 8 78 4 2 32 6 2 2 0 1 1 1 0 0 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 5 1 2 3 5 11 6 15 4 3 1 1 2 1 1 1 1 1 2 2 1 1 1 1 2 6 5 11 14 41 60 19 4 2 1 1 1 1 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 0 0 0; 1HNMR: 88 88 s 1H \| 86 85 d 1H J 82 \| 83 83 dd 1H J 18 53 \| 71 71 dd 1H J 17 53 \| 70 69 dd 2H J 55 108 \| 42 41 dddt 1H J 16 33 47 106 \| 39 38 dd 1H J 16 114 \| 36 34 m 3H \| 28 28 s 1H \| 24 24 s 3H \| 20 16 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(NN2C=NCC2)ccc2c1ncn2C(=O)OC(C)(C)C	ir: 4 1 3 11 18 14 1 5 22 21 32 36 10 2 3 5 4 30 29 8 6 21 6 6 10 19 8 2 2 7 5 1 1 2 2 4 5 3 3 3 22 9 6 5 6 7 6 11 14 9 13 11 6 21 22 27 32 60 46 21 11 10 9 7 2 54 51 5 5 3 2 4 2 2 3 2 1 1 2 1 7 4 2 1 1 1 3 1 15 6 9 5 1 1 7 6 26 55 4 13 11 72 18 13 9 12 11 20 32 10 3 5 18 30 2 41 42 58 25 18 5 3 20 7 6 22 11 18 16 24 19 20 10 35 34 8 1 4 5 0 4 4 4 1 3 20 77 100 7 56 27 77 9 0 4 4 28 10 5 13 4 1 5 2 1 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 0 0 1 1 1 3 1 2 2 6 2 1 1 3 2 3 2 2 2 9 7 8 53 10 27 82 23 2 10 1 2 1 2 2 2 2 1 1 1 3 4 3 2 3 3 7 16 64 49 75 77 35 23 7 5 4 10 5 1 0 2 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H \| 82 81 d 1H J 92 \| 78 78 p 1H J 9 \| 70 70 d 1H J 92 \| 43 43 m 3H \| 37 37 m 2H \| 24 24 s 3H \| 16 16 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(/C=C/c1ccccc1)OCCOC(=O)NC1(C(=O)O)CC1	ir: 2 1 3 1 1 2 1 1 4 2 3 3 6 5 2 2 9 7 18 4 10 72 25 4 5 6 1 2 8 41 19 19 5 11 4 1 2 4 2 1 5 16 44 4 8 1 1 1 1 0 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 10 2 1 2 2 2 7 10 5 37 18 11 21 7 2 1 3 2 2 3 1 3 10 1 1 5 3 2 3 2 2 11 2 1 1 1 1 1 3 3 1 1 1 0 1 5 5 3 2 2 1 1 2 2 2 3 2 16 3 2 4 3 13 11 2 2 3 12 2 2 7 2 11 100 25 7 21 24 3 9 76 2 2 15 5 1 1 2 0 0 1 5 0 0 1 1 0 2 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 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 1 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 1 1 0 0 0 0 1 1 1 2 1 1 1 1 1 1 2 4 4 7 12 7 19 12 8 5 8 5 2 2 3 8 35 1 0 3 1 1 1 1 1 1 3 1 1 1 16 58 5 0 1 1 1 0 0 1 0 0 0 1 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 9 160 \| 76 75 ddt 2H J 16 45 64 \| 74 73 m 3H \| 64 64 d 1H J 161 \| 62 62 s 1H \| 44 43 m 5H \| 18 17 m 2H \| 16 15 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2[nH]c3c(c2c1)C(C(=O)OCc1ccccc1)CCC3	ir: 9 11 11 14 8 15 13 13 19 25 27 22 9 9 5 4 6 5 8 8 9 13 13 7 6 7 43 22 5 21 33 25 22 14 19 21 10 5 11 38 90 18 5 4 8 10 7 5 5 6 4 6 13 20 42 0 5 7 3 2 4 5 5 4 9 31 48 37 42 49 19 11 9 12 19 12 8 6 6 8 25 14 7 3 4 4 5 5 28 20 6 5 5 11 9 5 10 20 15 11 15 14 10 13 9 8 4 13 15 18 19 12 12 9 5 8 27 8 10 9 12 11 6 18 15 7 5 8 11 7 2 14 13 8 26 24 11 10 5 4 6 16 28 58 100 16 8 9 15 5 5 23 25 11 35 35 10 4 4 3 3 3 4 11 3 2 3 3 2 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 3 3 3 5 5 8 7 9 9 6 9 5 5 7 27 31 45 87 58 65 100 12 6 7 5 6 8 4 4 3 3 5 4 3 2 3 3 3 3 7 6 5 6 32 12 87 22 11 4 5 5 4 3 2 3 3 3 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 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 88 87 s 1H \| 74 73 m 5H \| 71 70 m 1H \| 70 70 m 2H \| 52 51 m 2H \| 39 38 s 2H \| 36 36 t 1H J 66 \| 30 28 m 2H \| 23 22 m 1H \| 21 19 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCCOS(C)(=O)=O	ir: 29 18 17 10 10 7 6 6 21 8 1 3 2 2 5 2 1 2 2 2 3 3 5 9 7 6 8 8 7 4 3 2 3 4 10 6 2 2 2 1 4 2 1 3 2 2 3 3 6 32 13 11 4 2 3 3 3 8 15 6 2 4 2 3 6 6 9 11 34 96 33 22 31 82 43 33 14 6 7 6 2 3 5 8 4 2 20 64 72 69 16 12 8 4 0 2 7 6 4 16 29 21 51 12 8 6 2 5 4 8 10 8 3 4 1 2 5 5 5 7 12 21 24 14 8 5 1 3 3 2 4 4 3 6 5 4 13 11 16 10 4 4 2 3 3 2 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 1 1 2 1 2 2 5 7 3 4 4 2 3 3 3 4 14 21 19 34 100 32 34 21 19 10 5 7 7 5 4 7 7 4 3 2 1 2 2 1 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 58 57 m 1H \| 51 50 m 1H \| 50 49 ddt 1H J 13 24 172 \| 41 40 t 2H J 76 \| 30 30 s 2H \| 22 21 tdt 2H J 14 68 82 \| 18 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)c(F)cc2F)CN1C#N	ir: 9 2 1 2 5 3 3 4 5 13 10 4 2 3 2 3 3 4 2 4 4 2 2 2 2 1 1 1 2 1 1 3 1 2 5 12 2 2 2 3 4 4 14 7 10 5 2 7 11 9 6 4 5 5 18 9 9 5 3 8 2 2 3 6 31 10 32 42 10 15 8 7 3 4 12 12 5 5 9 3 2 1 2 3 9 60 7 5 11 3 2 2 2 8 20 26 5 3 2 5 7 21 18 13 16 17 10 11 10 9 8 6 4 7 5 3 1 4 6 2 1 3 3 3 2 2 2 2 1 2 2 6 7 16 12 1 2 4 2 1 1 1 1 1 17 9 4 1 1 3 2 3 3 2 1 0 1 1 1 8 9 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 7 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 3 0 3 4 5 1 3 41 14 2 1 2 1 1 1 1 1 0 2 2 1 1 2 2 2 2 5 25 100 83 30 6 4 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 81 80 t 1H J 43 \| 72 71 m 1H \| 61 60 d 1H J 90 \| 39 38 m 1H \| 36 35 dq 1H J 10 97 \| 34 33 m 2H \| 21 20 m 1H \| 18 17 m 1H \| 13 12 d 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2COS(C)(=O)=O)cc1	ir: 6 6 5 4 24 11 77 10 2 3 3 2 2 3 4 6 2 11 14 5 10 5 6 2 4 4 3 9 5 17 48 30 23 18 14 32 29 19 9 10 28 84 21 9 7 11 19 5 8 13 18 44 5 6 4 4 27 31 12 1 4 4 3 0 4 4 3 7 9 8 5 16 29 36 11 3 3 5 2 3 3 3 2 1 5 8 3 2 73 27 4 3 6 3 2 2 2 3 2 6 6 12 23 9 5 4 1 2 2 2 3 3 6 15 5 4 9 6 1 4 9 15 18 17 15 9 9 12 7 3 5 14 19 7 34 41 39 23 10 9 22 16 27 100 34 68 29 12 15 6 9 19 14 35 39 4 2 1 1 2 2 4 12 3 7 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 1 1 2 1 1 1 2 1 0 1 1 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 3 1 1 2 2 2 4 1 2 3 4 4 4 11 61 23 11 33 25 14 4 6 4 3 2 1 2 2 2 3 6 4 3 3 2 4 5 6 13 86 68 74 27 21 14 4 7 6 2 3 3 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2; 1HNMR: 80 80 m 2H \| 77 77 m 2H \| 76 75 d 1H J 81 \| 73 73 t 1H J 42 \| 50 49 s 2H \| 35 34 qd 2H J 41 62 \| 32 31 s 2H \| 30 29 dp 1H J 48 80 \| 13 12 t 3H J 62 \| 10 9 m 2H \| 7 6 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccnc(-c2sc(NC(=N)NN)nc2C)c1	ir: 3 2 1 2 2 2 2 1 2 2 1 5 6 14 9 5 3 3 1 5 6 3 9 24 5 7 6 4 3 1 2 5 3 5 28 13 17 19 18 20 10 5 5 20 17 7 11 4 3 3 6 12 5 6 8 4 5 3 4 3 2 2 2 7 5 3 5 5 3 1 3 3 3 7 5 5 2 3 3 8 3 4 6 5 2 2 2 2 2 4 6 4 5 7 4 3 4 5 8 2 1 3 3 1 1 1 2 6 0 1 2 2 2 2 3 1 1 2 3 1 0 2 3 3 1 2 2 1 2 2 4 3 4 2 3 10 1 5 2 3 7 4 16 12 13 12 9 21 8 3 6 5 6 11 13 10 9 10 3 9 88 6 3 0 1 4 1 0 2 2 2 0 2 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 9 2 1 3 6 4 2 2 2 1 0 1 2 1 1 1 2 2 28 8 6 11 3 4 4 2 4 100 16 12 45 6 27 18 8 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 85 85 d 1H J 47 \| 76 76 d 1H J 21 \| 75 75 s 1H \| 72 71 ddq 1H J 8 22 47 \| 66 66 s 1H \| 62 62 t 1H J 26 \| 51 51 d 2H J 26 \| 26 25 s 3H \| 24 24 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c(-c2ccc(OCc3ccccc3)c(F)c2)cncn1Cc1ccc(Cl)cc1	ir: 2 5 5 3 2 6 2 5 11 5 17 34 12 5 6 2 2 2 3 8 5 3 12 4 5 5 3 2 2 2 4 4 7 5 6 3 7 6 10 4 44 11 7 6 46 36 13 7 29 10 15 11 8 8 27 39 12 9 7 3 4 2 4 4 3 16 9 9 18 26 10 5 2 2 2 2 4 11 7 13 8 1 2 3 3 4 13 4 30 6 4 3 5 14 20 5 4 6 5 4 7 3 4 2 3 2 3 7 7 5 6 3 2 21 16 17 13 5 5 3 4 6 6 13 12 13 4 4 2 1 2 3 3 2 3 8 10 5 5 9 5 5 27 41 23 8 52 100 6 9 14 10 10 6 12 7 2 5 4 7 19 1 1 5 5 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 3 2 2 2 2 0 5 13 23 37 63 94 39 30 11 35 4 6 2 0 3 3 1 0 2 2 1 0 1 2 1 1 2 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 d 1H J 13 \| 81 80 q 1H J 10 \| 75 73 m 11H \| 71 70 m 1H \| 52 51 q 2H J 9 \| 51 51 d 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccnc1SCCS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1O	ir: 2 4 5 2 1 6 16 3 0 1 2 3 5 33 3 3 2 2 2 8 8 2 3 3 4 5 3 3 3 3 3 11 15 3 11 10 16 13 6 2 5 3 3 4 11 12 5 17 22 4 6 4 2 2 1 6 5 2 2 2 1 2 3 18 5 10 8 5 7 2 2 2 5 2 3 2 2 3 8 8 4 7 25 32 43 7 6 24 8 9 4 6 6 2 2 2 1 3 8 14 25 5 2 2 3 5 5 4 2 2 2 10 6 30 5 2 1 3 3 5 3 5 4 6 3 6 15 14 28 4 2 2 3 2 2 4 8 14 7 2 25 36 3 2 3 1 2 2 7 2 4 43 13 17 63 11 3 2 4 2 1 2 17 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 2 1 1 3 2 1 1 1 1 1 1 1 2 1 1 2 4 3 2 2 2 3 2 3 13 19 6 9 49 32 7 7 10 5 4 5 65 100 15 3 1 1 1 1 1 1 2 4 3 2 2 14 26 8 12 18 11 4 2 1 1 2 3 1 1 1 1 1 1 1 1 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 dd 1H J 20 37 \| 81 81 t 1H J 21 \| 78 77 m 5H \| 76 75 dd 1H J 79 104 \| 73 73 dd 1H J 37 75 \| 70 69 ddd 1H J 22 82 102 \| 67 66 dd 1H J 22 121 \| 36 35 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1CSC1)c1cc(COCc2ccccc2)on1	ir: 2 3 4 2 0 2 4 3 2 5 3 6 1 2 4 8 3 2 2 1 1 6 3 1 0 2 3 1 10 19 12 23 4 3 2 2 2 2 2 15 24 2 2 2 2 10 71 10 2 4 2 1 4 3 2 0 1 3 1 0 2 4 1 3 5 3 2 8 5 3 1 1 10 9 14 5 3 4 3 4 2 2 3 4 2 3 1 2 4 3 1 2 2 3 1 2 7 15 5 2 19 3 0 1 2 2 0 1 2 1 0 1 3 1 0 1 3 1 1 3 5 4 1 3 4 11 6 7 5 5 4 6 7 12 13 17 4 2 1 3 2 5 8 33 7 1 3 6 10 100 11 2 8 4 2 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 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 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 3 2 3 2 1 2 10 4 4 9 12 14 78 9 32 5 3 2 4 3 2 2 3 1 1 2 2 1 1 2 2 2 2 5 31 26 23 17 6 2 1 2 2 3 2 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 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 79 79 d 1H J 78 \| 74 73 m 5H \| 69 69 d 1H J 10 \| 49 48 d 2H J 7 \| 48 47 dp 1H J 31 77 \| 45 45 d 2H J 8 \| 32 31 dd 2H J 31 125 \| 29 29 dd 2H J 31 125	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(S(=O)(=O)NCc2cc(=O)c(O)c(C(=O)NC(C)C)n2C)c1	ir: 4 5 8 6 2 5 2 2 2 1 1 5 8 13 4 5 6 3 5 4 5 9 4 15 16 23 33 18 19 34 16 13 21 27 26 5 9 7 6 10 8 22 26 7 9 40 34 10 11 19 17 6 5 4 19 17 4 3 4 10 5 5 11 4 2 31 29 10 22 10 9 9 6 7 7 8 4 5 12 12 4 7 7 7 21 58 15 60 46 34 9 11 5 4 5 28 9 12 7 27 13 24 10 27 52 12 11 14 32 8 13 8 2 4 2 5 2 2 5 5 4 5 9 7 9 15 23 7 2 5 3 2 2 2 2 2 2 2 1 8 16 25 6 8 27 9 2 3 5 9 43 21 6 2 3 11 9 2 1 1 1 1 2 31 1 1 0 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 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 1 1 1 0 1 1 2 2 5 7 9 1 17 42 16 22 4 2 6 5 15 38 100 12 6 1 1 2 2 2 2 3 5 9 34 34 31 16 10 15 15 16 19 4 2 2 1 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 82 81 d 1H J 84 \| 81 81 s 1H \| 78 77 ddd 1H J 13 22 82 \| 77 76 t 1H J 21 \| 76 75 dddd 1H J 7 13 20 74 \| 75 75 m 1H \| 64 64 t 1H J 13 \| 62 61 t 1H J 67 \| 42 41 dd 2H J 13 66 \| 41 40 dp 1H J 59 84 \| 39 39 s 2H \| 24 24 d 3H J 7 \| 12 12 d 6H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ncnc2c1c(I)cn2C1CC(CN2C[C@@H]3C[C@H]2CS3)C1	ir: 4 4 2 2 1 2 3 3 5 3 3 2 2 2 2 2 2 2 2 1 1 2 4 0 7 1 4 4 3 6 2 2 2 1 1 5 2 2 2 2 17 0 2 5 41 12 4 2 2 7 3 7 5 6 3 12 15 9 2 9 4 2 9 5 11 18 3 2 3 9 3 4 12 4 4 11 3 2 12 2 4 4 7 8 8 5 3 11 3 6 2 5 3 4 0 30 4 7 12 19 11 21 23 21 9 41 10 72 2 18 2 18 3 4 2 4 9 5 8 7 4 5 17 10 3 7 3 3 3 8 4 3 5 5 3 38 2 3 3 2 4 3 4 2 2 1 2 2 2 2 2 2 1 2 2 1 5 1 1 2 2 2 1 1 1 2 2 5 1 1 1 1 2 2 2 1 1 1 2 1 1 1 1 2 2 2 1 1 1 1 1 1 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 3 2 1 2 4 2 2 6 18 12 6 24 23 100 27 50 16 53 17 33 1 4 6 2 0 2 5 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 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; 1HNMR: 87 86 s 1H \| 75 75 d 1H J 7 \| 45 44 m 1H \| 34 33 dtd 1H J 9 20 29 \| 30 30 m 2H \| 29 28 m 1H \| 28 27 d 1H J 106 \| 27 27 d 2H J 43 \| 27 26 dd 1H J 27 119 \| 24 23 m 1H \| 22 21 m 4H \| 20 19 dt 2H J 52 114	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc(C2=CCCCC2)n1	ir: 1 3 1 1 1 1 2 1 1 1 1 1 2 4 5 4 7 4 7 33 79 12 6 1 0 2 2 1 1 1 1 0 1 2 5 1 1 2 2 0 1 1 1 1 2 4 9 100 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 2 2 2 1 1 1 1 1 2 1 1 1 9 9 22 11 9 11 5 3 8 7 2 1 1 1 0 1 1 1 0 0 2 4 2 1 1 1 0 1 1 1 0 1 1 1 1 1 3 2 2 3 3 3 7 19 5 8 2 1 2 1 2 2 25 2 6 13 14 1 2 1 1 3 4 30 8 1 6 2 1 1 1 1 1 1 5 1 1 11 2 2 8 3 1 2 2 2 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 3 3 3 17 15 4 2 1 1 0 1 2 38 26 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 81 81 dd 1H J 13 79 \| 78 77 dd 1H J 13 79 \| 77 77 t 1H J 79 \| 64 63 tp 1H J 9 50 \| 30 29 tq 2H J 10 74 \| 22 21 m 2H \| 18 17 m 2H \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(O)c1cccc(C)n1	ir: 10 26 17 24 22 14 28 15 0 36 9 6 3 7 8 6 3 6 7 4 3 7 7 5 4 7 8 3 3 6 7 3 5 20 18 5 6 8 7 3 4 7 8 5 7 28 41 11 10 6 6 3 5 6 5 3 5 7 5 2 11 11 5 3 8 15 9 5 6 9 7 4 5 7 4 5 8 7 16 24 10 13 11 5 8 6 10 34 58 20 13 9 10 7 2 5 7 6 3 4 7 8 3 4 7 6 3 6 7 5 2 4 7 5 5 7 8 8 4 9 13 7 8 8 7 5 3 5 7 5 3 6 8 4 3 6 12 22 43 31 10 9 5 6 9 5 3 6 5 3 4 6 6 3 14 56 13 4 4 6 5 3 4 6 5 3 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 3 5 6 4 3 5 6 4 3 5 5 4 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 4 5 5 3 4 6 5 3 4 6 5 3 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 3 5 6 4 3 5 6 4 3 5 5 4 3 5 6 4 4 5 5 3 4 6 5 3 4 6 5 3 4 7 6 3 5 6 6 5 5 7 6 4 5 10 8 7 14 13 17 34 40 12 6 3 7 11 66 100 24 6 5 4 5 6 4 4 5 5 4 3 5 5 4 3 5 5 3 4 5 5 4 4 5 5 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 6 4 3 4 5 4 3 4 5 4 3 4 5 4 3 5 5 4 3 5 5 3 3 5 5 3 3 5 5 3 4 5 5 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5; 1HNMR: 76 76 m 1H \| 73 72 dt 1H J 9 77 \| 71 70 ddt 1H J 9 15 75 \| 47 46 m 1H \| 35 34 d 1H J 57 \| 25 24 d 3H J 7 \| 21 20 dqd 1H J 54 81 148 \| 18 17 dqd 1H J 54 80 148 \| 10 10 td 3H J 15 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1	ir: 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 1 0 0 1 0 1 1 1 7 21 3 4 3 4 4 4 1 1 1 0 1 1 1 1 1 1 1 0 4 6 10 6 4 4 1 1 1 1 1 1 1 3 12 11 8 3 1 2 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 7 8 9 13 10 3 7 3 1 2 2 2 3 4 5 8 5 6 26 20 41 21 7 6 9 6 3 6 11 4 3 6 3 2 1 4 5 11 2 1 1 1 3 4 4 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 30 8 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 2 2 3 3 3 9 6 6 8 6 3 2 12 10 33 33 13 17 100 17 3 3 4 3 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 2H J 10 \| 26 25 tt 3H J 54 66 \| 19 18 m 6H \| 17 14 m 25H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(CC2NC(=O)OC2c2ccc(F)cc2)cc(OC(F)(F)C(F)F)c1	ir: 0 1 1 2 0 4 2 2 2 9 9 20 46 26 9 27 9 3 4 2 6 5 2 2 1 3 2 3 3 2 2 3 8 5 3 3 9 10 2 3 1 1 1 1 1 1 2 2 2 1 1 2 2 10 6 24 4 3 1 3 3 6 4 5 3 11 12 10 9 9 2 2 6 10 10 8 7 4 1 1 1 1 1 1 2 7 2 7 1 1 1 2 3 14 7 5 25 5 4 15 5 4 6 10 7 3 3 6 1 2 3 2 6 3 2 1 3 15 3 3 11 3 6 7 6 8 6 9 8 9 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 2 2 14 6 4 2 2 11 3 19 100 11 1 3 6 20 6 3 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 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 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 3 2 4 2 6 13 13 14 5 9 3 2 5 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 6 23 35 6 1 2 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 74 73 m 2H \| 71 70 m 2H \| 68 68 t 1H J 22 \| 68 67 dq 1H J 11 21 \| 67 67 td 1H J 11 23 \| 60 59 t 1H J 70 \| 57 57 d 1H J 73 \| 56 55 dd 1H J 8 42 \| 43 42 dtd 1H J 42 58 73 \| 31 30 ddt 1H J 9 59 134 \| 29 28 ddt 1H J 9 58 135 \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(c1ccc2occc2c1)c1ccccn1	ir: 40 4 4 3 9 26 11 9 5 4 4 2 2 1 1 3 2 1 3 2 3 5 4 6 4 5 25 18 19 12 5 2 2 1 3 5 6 13 5 5 15 20 5 1 3 3 2 4 3 1 2 2 2 32 21 37 4 1 1 1 1 2 1 5 5 7 6 4 5 4 10 3 1 1 1 2 2 3 2 4 4 4 2 6 6 7 14 19 17 17 19 6 9 5 5 3 4 2 2 1 2 6 17 5 1 1 1 1 0 1 1 1 0 1 1 3 1 1 1 2 3 4 3 1 1 5 9 5 2 2 1 1 1 5 9 30 20 8 4 4 4 4 3 2 1 1 1 7 7 3 6 4 2 9 8 4 7 11 1 0 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 1 2 2 2 9 16 51 45 5 9 21 11 4 20 100 15 4 2 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 1 1 2 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 87 86 dd 1H J 17 45 \| 78 77 t 1H J 19 \| 77 76 td 1H J 17 74 \| 76 76 d 1H J 18 \| 75 75 m 1H \| 74 74 d 1H J 85 \| 74 73 ddd 1H J 13 44 71 \| 72 71 m 1H \| 68 68 t 1H J 19 \| 58 57 m 1H \| 43 42 d 1H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=Cc1ccc(Cl)cc1N)C(=O)O	ir: 35 35 3 5 4 4 1 14 7 7 6 2 4 1 2 8 14 7 7 7 6 6 21 74 11 3 3 18 18 14 13 6 3 1 4 8 3 3 5 5 6 4 3 5 3 1 3 4 5 0 2 3 2 6 13 28 3 1 3 3 3 2 4 7 3 1 3 7 3 1 4 10 2 2 3 7 5 88 26 0 2 3 2 2 2 4 2 2 2 2 5 6 6 1 2 3 6 6 2 2 1 2 4 2 6 8 3 2 1 2 2 2 1 2 2 3 5 2 2 1 1 2 4 2 1 2 4 2 8 26 9 5 3 3 2 2 2 3 2 1 1 2 2 1 1 2 4 8 3 6 4 1 5 9 43 27 4 4 9 12 4 4 3 13 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 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 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 3 3 3 6 19 14 11 3 4 3 2 1 2 2 34 66 7 3 2 1 2 3 2 9 23 3 2 1 2 2 1 1 3 4 2 57 100 3 3 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 77 77 q 1H J 15 \| 74 74 d 1H J 92 \| 72 72 dd 1H J 21 91 \| 70 69 d 1H J 22 \| 46 46 s 2H \| 21 20 d 4H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CNCCCNC2=CC(=O)c3sc(C)nc3C2=O)cc1	ir: 9 7 6 8 6 1 1 2 9 3 5 6 6 10 2 2 5 6 6 4 10 4 7 8 6 6 2 2 5 6 13 10 9 6 4 8 10 5 5 8 8 8 10 15 2 7 2 1 4 2 6 6 12 7 24 3 4 8 7 4 7 6 2 4 4 6 11 100 17 9 5 2 12 6 2 7 14 1 2 7 2 1 1 1 1 1 2 9 2 1 1 1 1 2 2 14 7 9 6 3 1 1 1 1 2 3 1 6 1 4 11 25 15 18 13 10 2 2 6 4 24 5 14 31 11 6 7 8 3 5 5 14 8 18 35 4 2 1 1 15 7 2 2 6 6 2 3 10 14 14 5 27 4 3 2 1 1 1 1 0 1 1 1 2 68 4 2 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 2 2 1 1 1 2 2 2 1 2 2 4 2 3 2 8 6 7 9 7 10 4 6 3 1 2 2 1 1 2 1 2 2 3 7 3 4 14 37 40 20 5 41 27 13 2 1 6 2 3 2 2 1 1 0 1 1 0 1 0 1 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; 1HNMR: 72 72 dt 2H J 9 84 \| 69 68 m 3H \| 58 58 s 1H \| 38 38 s 2H \| 38 37 dt 2H J 9 56 \| 34 34 p 1H J 54 \| 33 33 q 2H J 52 \| 29 28 q 2H J 51 \| 28 28 s 3H \| 17 17 p 2H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(c1cccc(OCCCNC(=O)C(C)(C)O)c1)N1CCCC1	ir: 7 15 5 23 63 30 40 24 21 4 8 6 4 3 5 5 7 4 2 6 6 3 6 8 9 12 18 4 8 9 7 10 12 11 22 46 100 45 26 36 17 17 7 4 8 4 17 56 42 2 7 10 5 3 11 8 22 22 10 7 7 3 3 8 15 10 9 10 25 29 17 41 23 7 10 8 6 17 23 9 26 21 39 31 19 7 12 24 58 62 46 76 30 49 20 10 12 8 23 4 3 4 2 4 3 4 15 12 8 5 12 15 23 29 35 26 7 9 8 11 8 10 8 8 12 6 18 10 15 31 11 9 5 3 3 2 1 5 6 5 28 13 5 10 26 33 64 34 32 6 4 3 12 9 9 6 5 2 2 1 4 11 3 1 1 2 1 0 1 2 1 1 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 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 2 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 0 1 2 3 1 5 5 2 3 5 7 4 5 6 7 6 10 7 28 25 12 24 49 50 9 3 4 3 5 27 36 12 3 4 3 2 3 5 4 2 4 6 7 9 17 13 34 37 32 9 8 4 1 2 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 t 1H J 80 \| 71 70 dq 1H J 11 84 \| 69 69 dt 1H J 11 79 \| 68 67 q 1H J 10 \| 67 66 t 1H J 41 \| 41 40 m 3H \| 37 36 m 1H \| 32 32 td 2H J 42 51 \| 29 29 m 2H \| 28 27 m 2H \| 21 20 tt 2H J 50 59 \| 20 18 m 4H \| 14 13 m 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCN(C)CCCCC[C@@H]1CC[C@@H](N(C)C(=O)Oc2cc(F)cc(F)c2)CC1	ir: 11 8 2 2 1 2 3 4 5 7 10 12 7 5 2 2 0 2 2 1 0 2 2 1 1 2 6 1 3 4 1 0 0 2 2 0 0 2 1 3 2 1 1 0 1 2 2 1 2 2 2 0 2 6 1 1 4 5 4 2 2 4 3 5 30 100 46 15 14 9 5 7 5 2 4 3 2 2 1 2 3 2 3 7 9 5 6 4 7 6 6 6 5 3 1 6 20 5 2 1 6 3 1 2 3 3 4 5 9 3 3 3 6 8 3 2 5 5 3 4 5 2 2 5 3 3 2 9 42 5 5 4 2 1 3 6 10 3 4 7 4 2 2 2 2 1 1 2 2 2 20 35 8 1 1 2 1 1 9 90 38 6 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 2 2 1 2 2 4 2 3 3 3 1 6 6 4 9 21 6 13 17 22 11 6 10 6 3 3 3 2 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 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: 68 67 m 2H \| 67 66 tt 1H J 21 121 \| 58 57 ddt 1H J 55 112 166 \| 53 52 m 1H \| 50 50 ddt 1H J 13 24 167 \| 37 36 ddddd 1H J 15 34 50 64 77 \| 32 31 dt 2H J 13 55 \| 29 28 d 3H J 14 \| 25 25 t 2H J 62 \| 23 22 s 2H \| 18 17 m 2H \| 16 11 m 16H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(O)CCc1ccc(-c2ccccc2Cl)cc1	ir: 1 1 0 1 2 1 1 1 1 1 2 2 2 2 2 2 1 4 2 1 1 5 13 10 5 4 1 2 2 1 1 1 1 0 1 1 1 1 1 1 1 2 6 4 1 0 1 1 1 0 0 1 1 1 1 0 4 1 1 1 1 0 0 0 1 0 0 1 0 1 2 2 1 1 2 1 1 1 2 5 14 2 1 1 1 1 1 3 7 2 2 2 2 1 1 1 2 2 1 1 0 1 1 0 1 1 1 0 1 1 1 1 0 1 1 2 1 1 2 1 0 0 1 1 1 1 1 0 0 0 0 0 0 1 1 1 4 3 1 1 0 0 1 5 1 2 5 3 2 1 0 0 1 0 0 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 3 13 27 8 2 1 1 2 5 7 20 29 100 11 8 2 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: 83 83 s 1H \| 76 76 dd 1H J 12 74 \| 76 75 m 2H \| 74 74 ddd 1H J 26 63 75 \| 74 73 m 2H \| 72 71 dt 2H J 9 81 \| 47 46 d 1H J 57 \| 42 41 td 1H J 57 67 \| 29 28 dtt 1H J 9 92 137 \| 28 26 dtt 1H J 9 91 137 \| 22 21 dtd 1H J 67 91 143 \| 19 18 dtd 1H J 66 91 141	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1	ir: 2 2 3 2 1 2 2 5 4 3 1 2 2 3 4 2 2 6 1 1 2 1 3 2 1 1 0 0 1 1 1 1 1 1 2 1 4 4 9 6 1 2 1 0 0 1 1 1 3 3 1 2 7 67 53 47 8 3 2 3 2 1 1 2 1 4 18 36 31 20 4 5 4 5 2 2 2 2 2 2 2 5 9 10 29 50 54 13 19 12 5 1 2 2 3 4 4 15 57 19 8 9 3 2 27 23 2 2 1 1 0 1 13 2 2 1 0 1 3 9 8 3 3 9 8 7 4 2 1 1 1 1 0 1 1 0 0 1 2 1 19 9 2 1 1 2 3 40 33 31 2 2 10 10 9 2 1 1 1 1 1 1 10 2 1 2 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 1 1 1 2 1 1 2 1 5 4 4 4 3 5 8 23 85 48 100 18 7 7 4 2 18 73 36 5 1 5 1 1 1 2 1 0 0 1 1 1 2 3 2 4 3 2 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; 1HNMR: 75 74 d 1H J 78 \| 73 73 dq 1H J 9 20 \| 73 72 dp 2H J 9 82 \| 69 69 dd 1H J 21 78 \| 69 68 m 2H \| 46 45 dt 2H J 9 57 \| 25 25 t 1H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc2c(cc1OC)C(c1ccccc1)=NC(Cc1ccccc1)C(=O)N2	ir: 3 3 6 5 3 3 2 5 6 3 0 23 21 11 4 4 3 5 7 5 16 5 7 17 3 2 4 11 6 20 41 29 57 47 18 8 8 33 58 39 100 27 11 6 9 4 6 1 3 2 2 2 1 2 3 4 4 4 2 3 4 1 3 7 6 3 6 17 49 26 9 7 5 6 7 18 9 19 16 8 3 1 2 3 9 5 2 2 3 17 4 3 0 9 2 3 4 5 17 17 11 11 8 3 2 2 6 5 6 8 5 7 4 8 9 3 5 14 9 15 10 7 14 8 8 14 36 9 11 5 3 3 7 14 38 22 1 4 5 0 6 19 18 80 78 84 13 14 10 9 4 16 19 21 14 95 32 5 2 4 3 0 1 18 94 10 3 1 1 2 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 3 2 2 2 2 2 1 2 3 4 3 2 2 6 7 6 21 22 43 66 70 53 20 12 3 5 7 3 2 2 3 2 2 2 2 2 2 2 2 3 3 7 8 5 16 29 8 4 8 4 2 4 4 2 2 2 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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; 1HNMR: 85 85 s 1H \| 75 74 m 3H \| 74 73 m 2H \| 73 72 m 5H \| 70 69 s 1H \| 69 68 s 1H \| 47 46 t 1H J 80 \| 42 41 q 2H J 62 \| 39 39 s 2H \| 34 34 ddt 1H J 9 80 137 \| 32 31 ddt 1H J 9 79 136 \| 15 14 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cccc(CBr)c1	ir: 1 0 0 4 3 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 1 3 2 2 1 2 11 2 1 1 1 2 2 1 0 1 1 3 12 100 18 1 0 1 0 0 0 0 0 1 1 7 28 5 1 0 0 0 1 2 6 3 1 1 0 0 0 1 1 2 1 0 0 0 0 1 2 4 3 5 11 2 1 1 0 0 1 1 4 3 0 0 12 13 1 0 16 7 1 5 0 1 1 1 0 0 1 0 0 0 1 1 2 1 1 1 1 2 2 16 3 1 1 0 0 0 1 0 1 2 15 15 1 1 1 2 1 0 1 8 14 3 1 1 8 2 0 0 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 0 0 1 1 2 2 17 4 4 7 17 8 2 1 0 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 s 1H \| 79 78 m 2H \| 75 74 m 2H \| 45 44 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCc2ccccc2C1CCBr	ir: 1 3 2 2 0 1 1 5 3 3 10 7 67 5 5 6 12 5 4 1 4 5 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 2 3 8 12 52 25 1 3 1 0 1 2 1 0 1 2 1 1 1 2 1 2 2 5 4 0 2 3 1 0 3 3 1 2 1 2 1 2 1 1 1 0 1 1 1 2 1 1 1 2 25 6 1 1 2 7 2 3 2 3 1 7 5 3 15 3 3 4 3 2 7 6 3 2 2 2 4 4 4 6 8 18 8 12 11 4 8 5 4 6 8 3 5 6 3 4 3 6 4 2 23 23 7 7 2 3 2 1 1 4 3 8 3 100 3 2 2 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 3 3 3 4 4 3 2 3 4 4 18 39 10 19 26 11 3 1 0 2 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 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 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 72 71 m 3H \| 71 71 ddd 1H J 20 70 82 \| 49 48 m 1H \| 39 38 ddd 1H J 38 62 123 \| 37 35 m 2H \| 35 34 dt 1H J 49 108 \| 30 28 m 2H \| 24 23 ddt 1H J 50 68 139 \| 22 21 ddt 1H J 50 68 139 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N2CCNC(=O)CC2)c(-c2ccc(N(C)C)cc2)n1	ir: 1 2 4 9 6 3 3 3 5 8 4 3 3 3 2 8 12 8 5 4 5 5 4 3 5 7 8 4 4 10 9 21 17 7 19 11 26 9 9 9 23 46 23 4 5 1 6 5 11 6 6 18 39 10 25 25 68 37 13 8 2 4 4 13 11 10 4 7 7 28 15 8 14 4 2 3 2 3 6 3 5 5 2 2 3 6 8 11 9 3 6 9 11 5 37 17 13 9 6 4 7 14 9 6 1 4 3 2 3 2 3 71 6 4 6 5 4 7 6 13 7 7 4 9 4 6 20 14 39 27 24 6 22 11 12 6 3 9 21 79 5 6 3 2 4 15 7 4 17 40 43 15 46 100 16 2 2 4 2 12 16 2 1 1 9 0 1 2 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 1 0 1 1 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 2 1 3 2 2 2 4 3 3 1 2 4 3 10 26 8 28 100 72 19 5 3 7 2 5 2 1 2 1 0 1 1 1 0 2 1 2 2 3 3 14 41 38 16 16 6 8 4 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 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 1 0 0 0 1; 1HNMR: 77 76 m 2H \| 72 72 d 1H J 86 \| 68 67 m 2H \| 66 65 d 1H J 86 \| 61 60 t 1H J 44 \| 40 39 s 3H \| 38 38 t 2H J 62 \| 37 37 t 2H J 58 \| 35 34 td 2H J 44 58 \| 29 29 s 5H \| 28 27 t 2H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O	ir: 4 5 6 10 11 20 16 26 10 5 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 2 2 1 1 3 1 1 1 1 1 1 0 1 1 1 3 4 2 3 1 1 3 2 2 2 2 2 2 4 5 9 6 3 2 3 2 2 5 7 4 2 1 1 1 1 1 1 6 19 7 1 2 2 4 7 13 6 4 1 1 1 4 3 3 3 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 1 0 0 0 1 4 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 3 1 0 0 1 8 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 2 1 1 3 1 4 8 5 1 1 1 1 3 4 100 22 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 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; 1HNMR: 76 76 s 2H \| 66 66 s 4H \| 48 47 ddt 2H J 26 40 57 \| 43 42 dt 2H J 16 108 \| 39 38 m 2H \| 39 39 s 12H \| 28 27 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=O)(CCNS(=O)(=O)Nc1ccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)cc1)OCC	ir: 8 8 5 2 1 2 7 3 4 2 15 1 5 4 6 2 2 1 1 1 5 2 2 2 2 1 1 1 2 2 4 4 5 6 8 5 4 13 2 4 6 14 13 24 5 6 5 10 6 13 11 9 2 3 6 7 17 19 13 4 4 1 2 3 6 7 19 16 6 9 7 100 15 7 16 7 10 15 4 1 13 42 4 1 2 8 1 4 5 29 35 6 2 12 4 6 15 7 3 4 11 10 4 2 2 4 5 5 6 4 15 3 2 4 3 2 4 9 13 13 17 15 5 4 2 5 5 10 3 5 10 3 8 11 4 2 2 1 1 1 3 1 1 2 1 1 1 2 2 8 11 2 3 2 3 1 1 0 1 6 1 0 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 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 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 3 3 2 1 2 1 1 3 2 2 3 14 8 9 24 7 2 2 2 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 4 11 10 9 20 8 9 48 15 2 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H \| 73 72 m 3H \| 72 72 m 2H \| 72 71 dd 1H J 7 22 \| 65 65 t 1H J 56 \| 43 43 m 1H \| 41 40 dq 4H J 72 85 \| 40 39 d 1H J 154 \| 38 37 d 1H J 154 \| 32 32 dd 1H J 46 117 \| 31 30 td 2H J 55 77 \| 30 29 dd 1H J 46 117 \| 24 24 s 2H \| 24 23 dt 2H J 78 119 \| 14 13 td 6H J 7 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1sc(C)c(N)c1N	ir: 29 44 11 9 9 8 8 7 6 11 8 7 8 8 6 8 8 9 8 8 11 9 12 14 21 12 17 10 13 8 11 9 9 10 6 7 12 14 21 21 11 12 8 9 8 6 9 7 8 6 7 6 11 7 6 6 6 7 6 7 9 6 6 6 7 8 6 7 6 6 6 6 6 6 6 11 6 6 7 9 6 7 12 7 6 6 8 7 7 6 6 5 5 5 6 6 5 5 5 6 6 6 5 9 6 5 5 5 6 6 5 5 6 6 5 6 16 6 8 6 5 6 5 6 5 6 6 6 6 9 5 9 6 6 5 6 6 5 5 6 6 5 5 8 19 33 26 12 9 0 55 2 5 7 11 24 85 27 42 7 6 7 7 5 5 6 5 4 5 6 5 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 5 5 5 5 5 5 6 6 5 5 5 5 6 5 5 5 6 5 6 6 7 8 6 6 6 6 6 6 6 6 5 6 6 5 6 6 7 6 5 7 10 8 50 57 8 7 6 6 7 6 6 6 7 13 100 80 10 7 6 6 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 56 56 s 2H \| 45 45 s 2H \| 40 40 s 3H \| 25 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)N1CCN(c2ccc3nc(-c4ccc(OCc5ccccc5)c(C)c4)[nH]c3n2)CC1	ir: 4 3 3 5 3 7 6 4 6 2 3 2 2 1 1 2 3 7 3 3 2 2 2 5 2 2 7 24 8 7 14 14 6 3 12 14 7 14 11 23 40 17 10 4 3 2 2 3 2 1 1 2 1 3 21 3 3 4 8 5 4 3 2 2 2 1 8 10 4 4 6 9 2 1 2 2 1 1 3 3 2 30 4 3 4 5 12 46 6 10 9 3 2 2 4 3 2 4 8 12 15 10 4 3 2 2 5 6 2 2 3 2 3 10 3 3 2 4 10 4 3 3 3 3 1 2 3 2 2 2 3 2 1 3 5 8 3 3 13 9 25 9 17 26 3 13 4 3 3 1 6 15 6 11 9 5 3 1 1 2 3 100 5 0 12 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 2 1 3 9 2 2 1 2 2 2 3 5 15 20 24 15 18 5 4 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 4 3 3 5 7 24 8 7 3 3 2 1 2 2 1 1 1 2 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 d 1H J 73 \| 78 77 dd 1H J 21 89 \| 77 77 d 1H J 20 \| 74 74 m 2H \| 74 73 m 2H \| 73 73 m 1H \| 70 69 d 1H J 88 \| 68 68 d 1H J 75 \| 51 50 t 2H J 8 \| 37 37 m 4H \| 34 33 q 2H J 95 \| 32 31 m 4H \| 22 22 s 3H \| 14 13 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C=C2CCN(C(=O)c3nc4ccc(O)cc4[nH]3)CC2)cc1	ir: 6 3 5 11 11 4 5 6 10 6 11 13 10 5 5 6 4 6 9 27 13 8 9 14 11 48 100 31 6 8 5 3 1 2 2 2 3 3 3 5 4 3 2 4 2 6 5 2 14 4 3 1 8 39 99 36 10 6 3 9 7 4 4 4 8 4 17 15 18 21 9 3 2 4 3 3 2 2 8 17 21 71 59 33 16 5 8 5 10 2 2 3 4 8 7 15 11 32 16 11 9 5 20 5 7 15 3 4 7 12 26 7 8 7 4 5 14 6 23 10 10 11 19 23 27 16 30 41 14 15 11 10 5 9 6 2 12 21 12 7 2 2 2 4 6 20 29 7 5 2 6 42 13 14 7 39 35 1 2 3 2 0 1 5 9 1 2 2 1 1 2 2 1 0 1 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 3 2 5 3 3 3 3 1 4 8 6 2 4 6 6 4 7 3 8 15 35 38 50 82 69 22 21 8 5 6 32 93 71 15 13 4 2 1 3 2 2 2 2 2 3 4 1 6 7 52 86 25 17 8 4 4 3 3 2 3 3 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 88 s 1H \| 76 75 d 1H J 87 \| 72 71 m 4H \| 70 69 d 1H J 22 \| 69 68 dd 1H J 21 87 \| 61 61 t 1H J 11 \| 38 37 t 4H J 47 \| 26 25 m 5H \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N1	ir: 1 6 6 4 4 5 8 7 8 14 56 17 13 4 2 5 3 1 2 1 3 3 3 3 2 3 3 2 6 58 37 9 5 2 2 1 2 1 2 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 2 4 2 4 2 5 3 3 4 3 1 1 1 1 1 1 1 3 3 1 2 2 1 3 1 1 1 1 0 1 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 4 5 2 5 4 2 6 3 6 3 6 9 25 20 7 6 3 2 4 6 11 7 6 15 8 5 5 3 5 7 14 11 12 6 2 3 2 6 11 5 4 2 1 1 1 1 2 1 1 1 2 6 24 15 94 39 3 3 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 3 2 2 1 7 8 3 2 2 3 1 4 11 41 5 3 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 6 12 100 37 10 3 2 2 2 1 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 58 57 d 1H J 82 \| 38 37 ddd 2H J 33 60 126 \| 35 33 m 3H \| 24 23 ddd 2H J 34 61 137 \| 20 20 ddd 2H J 34 61 137 \| 19 19 dd 1H J 47 135 \| 17 16 dd 1H J 46 134 \| 16 15 dqd 1H J 40 65 130 \| 15 14 s 7H \| 14 13 dqd 1H J 41 66 130 \| 9 9 td 3H J 15 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)-c1c(cnn1CC(C)N=[N+]=[N-])CC2	ir: 9 7 8 8 16 15 10 17 12 15 36 23 11 8 11 11 9 4 7 7 11 8 3 7 6 4 3 6 5 1 1 6 5 4 2 6 4 0 2 8 5 0 2 6 4 0 4 10 4 1 4 8 6 13 16 8 5 5 5 12 9 4 29 13 9 16 10 20 23 10 10 11 8 3 6 8 3 2 6 6 2 3 8 12 3 6 12 12 4 4 6 15 11 37 18 12 4 10 16 20 6 6 7 4 2 6 8 7 6 4 10 7 0 3 7 5 5 7 10 15 3 7 9 16 6 7 10 8 2 4 6 3 1 7 12 14 2 6 6 2 1 5 5 1 17 18 8 7 35 17 42 39 8 27 100 11 6 4 4 2 3 5 4 15 15 7 4 0 3 6 3 0 3 6 3 0 3 6 3 0 3 5 3 1 4 5 2 1 4 5 2 1 4 5 2 1 4 5 2 1 5 4 1 2 5 4 1 12 5 4 1 2 5 4 1 2 5 4 1 2 5 3 0 3 5 3 0 3 6 3 0 3 5 3 0 3 5 2 1 3 5 2 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 5 4 2 4 6 4 2 4 10 6 6 5 5 5 5 9 14 35 23 46 11 31 12 11 12 4 0 5 7 3 1 4 6 2 1 4 6 2 1 5 5 2 2 4 4 2 2 4 4 1 2 4 4 1 2 5 4 1 2 5 4 1 2 5 3 1 2 5 3 1 3 5 3 0 3 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 73 73 d 1H J 11 \| 72 72 dt 1H J 7 84 \| 72 71 d 1H J 28 \| 67 66 dd 1H J 27 82 \| 40 39 m 1H \| 39 38 s 2H \| 38 37 m 2H \| 31 29 m 4H \| 12 12 d 3H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(-c2cc(Cl)ccc2O)ccn1	ir: 2 2 2 2 2 3 3 3 3 3 3 3 3 3 2 2 2 7 4 16 47 17 5 2 3 2 4 3 3 3 2 3 2 2 4 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 6 8 4 2 2 2 2 2 1 2 3 3 2 2 3 6 3 4 2 3 6 5 9 10 8 12 13 7 8 2 5 4 9 5 7 4 3 3 3 8 17 4 2 1 2 2 2 4 7 2 2 1 2 2 3 1 2 3 2 1 2 2 2 2 2 3 7 2 2 3 6 2 3 3 1 0 4 71 3 4 1 1 2 3 1 1 2 2 2 10 3 3 23 4 2 4 2 2 3 5 2 2 2 2 2 2 4 2 2 4 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 19 19 12 2 3 3 2 3 3 100 68 31 6 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 90 90 d 1H J 46 \| 80 80 d 1H J 22 \| 75 75 m 2H \| 73 73 dd 1H J 26 90 \| 69 69 d 1H J 90 \| 60 60 s 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc2ccccc2c2c1ncn2CCCCNC(=O)COc1ccccc1	ir: 8 8 10 7 22 8 7 10 7 7 8 6 12 5 7 7 3 10 5 9 5 10 9 8 14 12 13 7 16 20 12 33 18 39 30 17 24 38 11 21 30 61 29 24 14 11 13 8 7 5 7 8 6 0 4 7 8 11 8 2 6 9 14 8 3 2 5 9 13 12 9 10 3 1 7 3 3 3 4 8 12 6 5 11 5 3 1 4 5 2 1 2 2 4 1 6 10 3 2 3 3 3 2 1 3 3 4 2 2 3 4 4 6 10 15 7 5 4 4 4 4 6 6 7 8 6 6 3 3 8 3 3 3 5 4 20 4 18 14 11 13 8 44 53 69 52 97 47 63 25 49 40 25 6 4 9 4 0 2 10 6 4 1 2 3 1 1 2 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 3 7 3 2 2 2 1 5 6 18 15 13 63 65 43 11 5 2 4 2 2 2 4 2 4 4 6 2 8 18 31 100 34 22 13 18 14 25 8 9 1 6 56 84 7 3 2 1 1 1 2 0 1 1 1 1 1 2 1 1 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 82 82 dd 1H J 14 77 \| 79 79 dd 1H J 15 73 \| 79 78 t 1H J 9 \| 77 75 m 2H \| 73 73 m 2H \| 72 72 t 1H J 49 \| 70 69 m 3H \| 64 64 s 2H \| 45 45 s 2H \| 43 42 td 2H J 9 64 \| 32 31 q 2H J 49 \| 19 18 m 2H \| 17 16 tt 2H J 50 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)[C@H]2CCCN[C@H]2c2ccc(NC3CCCC3)cc2)cc1C(F)(F)F	ir: 3 5 8 5 9 6 7 4 15 9 3 24 42 18 16 4 4 3 6 4 8 3 8 3 6 4 6 3 3 7 10 10 21 22 47 21 8 4 4 5 5 20 6 4 15 5 8 7 5 5 4 6 7 21 39 52 26 8 5 9 2 2 6 2 3 2 9 23 26 8 5 4 3 4 9 3 2 5 1 8 5 1 1 1 1 1 1 2 2 2 4 4 3 7 13 5 1 6 42 32 5 3 4 5 37 22 34 8 10 19 10 16 15 18 13 10 3 10 16 13 11 10 4 5 9 6 18 9 6 5 6 3 7 6 2 2 2 5 3 6 13 15 4 5 8 17 44 53 6 5 9 22 13 16 8 4 6 3 2 2 1 1 3 23 14 0 1 1 1 0 1 1 1 0 0 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 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 1 1 1 2 1 1 1 0 0 1 1 1 0 1 1 1 1 1 2 1 2 3 3 3 3 4 2 2 4 5 6 11 9 13 18 44 35 9 7 4 2 2 2 3 4 2 1 3 5 3 3 3 4 3 26 100 19 21 28 45 61 45 16 13 4 2 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 0 1 0 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 0 0 0 1 1 1 0 1 0 1 1 1 0 0 0 0 0 0 1 0 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0; 1HNMR: 91 90 s 1H \| 78 78 dq 1H J 9 20 \| 78 77 dd 1H J 22 70 \| 73 72 m 3H \| 67 66 m 2H \| 44 43 m 1H \| 39 39 d 1H J 68 \| 37 36 dp 1H J 35 70 \| 33 32 dddd 1H J 30 39 57 134 \| 31 30 dddd 1H J 31 40 57 134 \| 30 29 td 1H J 38 63 \| 27 26 dt 1H J 40 62 \| 24 23 d 3H J 10 \| 21 19 m 3H \| 19 18 m 1H \| 18 16 m 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC1(O)C2CCCCCC1CN(C)C2	ir: 14 7 3 6 5 5 10 4 15 12 8 16 11 12 18 16 18 11 8 7 13 5 4 1 1 3 4 3 5 7 2 1 1 2 1 0 1 1 1 1 2 4 2 3 3 4 6 5 7 5 2 3 1 3 2 3 3 3 2 0 1 1 6 4 3 5 4 6 2 3 2 1 2 6 7 7 10 21 2 2 11 13 8 25 21 3 2 17 25 5 6 13 3 3 2 4 21 29 37 26 10 5 7 3 2 3 2 3 2 3 3 5 13 13 14 10 3 7 9 9 8 3 4 3 3 4 5 5 4 7 3 4 4 6 11 15 9 5 3 5 2 0 4 10 59 11 2 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 2 2 4 2 6 3 4 3 7 5 2 3 5 9 7 5 2 2 1 4 6 48 100 9 5 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 41 41 q 2H J 66 \| 31 31 s 1H \| 30 29 m 2H \| 27 26 m 2H \| 25 25 s 2H \| 23 23 s 2H \| 18 17 m 4H \| 16 13 m 9H \| 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.
CNCCN(C(C)C)C(C)C	ir: 1 2 3 4 4 3 3 2 1 2 3 2 2 4 6 5 2 2 2 2 2 3 3 2 2 2 2 2 1 2 2 1 1 2 2 2 3 3 8 4 3 4 3 1 3 5 5 0 19 10 77 100 12 4 16 20 6 8 9 9 6 3 3 4 3 2 2 3 3 1 2 4 3 4 4 10 10 7 4 3 3 3 2 2 2 10 17 7 4 3 3 3 4 8 5 11 8 2 2 2 2 2 3 5 3 3 3 2 2 2 6 15 67 22 16 10 11 15 9 6 6 3 3 3 3 2 2 2 4 5 13 15 7 4 5 5 3 2 2 2 2 2 2 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 2 2 2 2 2 2 2 2 3 3 4 5 6 5 3 3 2 2 1 2 2 2 1 2 1 1 1 1 1 2 2 2 2 3 23 26 10 5 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 29 28 hept 2H J 62 \| 28 27 t 2H J 43 \| 26 26 q 2H J 44 \| 25 25 d 3H J 49 \| 19 18 h 1H J 48 \| 11 11 d 12H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccsc1C(=O)Nc1ccc2[nH]c3c(c2c1)CC(N(C)C)CC3	ir: 2 5 1 4 6 8 14 13 10 12 7 4 5 2 3 6 8 6 15 26 18 5 7 1 7 7 37 41 31 9 6 5 3 3 12 7 6 2 1 10 28 10 15 59 41 100 53 41 20 7 8 9 10 4 51 38 41 2 5 4 11 1 3 6 5 1 8 24 19 17 6 5 6 4 2 2 2 4 10 9 4 3 2 4 3 2 4 8 47 35 19 8 6 10 9 3 4 7 13 4 11 5 4 62 48 13 8 10 3 2 13 2 2 2 11 25 12 9 11 5 3 4 4 4 4 8 16 21 9 6 5 3 17 26 4 4 1 28 13 3 3 4 5 1 19 9 3 6 24 7 3 50 15 32 25 59 54 7 3 2 1 1 2 10 15 4 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 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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 2 1 1 2 2 2 1 3 1 2 2 2 4 3 1 2 3 2 2 6 9 13 19 57 53 68 14 19 37 4 4 2 3 2 2 3 3 2 1 2 3 2 2 4 3 5 4 9 23 31 90 50 48 9 6 7 3 1 1 3 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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; 1HNMR: 88 87 s 1H \| 78 77 d 1H J 23 \| 77 77 d 1H J 60 \| 75 75 dd 1H J 20 73 \| 72 72 d 1H J 73 \| 70 69 dq 1H J 9 62 \| 31 29 m 3H \| 29 28 ddd 1H J 44 71 145 \| 27 26 dd 1H J 73 144 \| 25 25 s 3H \| 23 23 d 6H J 15 \| 22 21 dtd 1H J 44 68 113 \| 19 18 dtd 1H J 44 68 114	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCOc1cnc(-c2ccc(CCCCCC)cc2)nc1	ir: 1 1 2 2 2 2 2 2 2 2 2 1 1 2 2 2 2 11 3 3 3 3 2 2 2 2 2 6 8 6 5 2 2 2 8 3 6 11 100 7 9 3 3 3 2 3 3 2 2 2 2 2 2 3 3 5 5 7 3 1 2 2 2 2 2 3 3 3 2 2 2 2 4 2 2 2 2 2 1 1 2 2 1 1 2 2 1 3 3 5 4 2 2 2 2 2 3 2 2 2 3 2 0 3 4 2 7 13 13 11 10 4 3 2 3 3 3 3 3 11 6 3 2 3 4 3 10 35 5 2 2 2 2 1 1 2 2 1 1 3 4 2 6 22 2 4 3 1 3 7 4 2 7 4 2 2 2 2 2 6 2 2 3 1 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 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 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 2 1 1 2 2 2 2 3 2 4 5 4 3 2 2 2 2 2 3 9 14 5 12 34 3 2 2 3 2 2 2 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 s 1H \| 80 79 m 2H \| 73 72 dt 2H J 9 91 \| 41 41 t 2H J 63 \| 26 26 tt 2H J 9 80 \| 18 17 tt 2H J 62 75 \| 16 15 tt 2H J 69 81 \| 15 14 p 2H J 72 \| 14 13 m 5H \| 13 12 m 7H \| 13 12 s 7H \| 9 9 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(Cl)C(C)(C)C(=O)O	ir: 1 1 0 1 1 1 1 3 2 2 3 7 10 10 3 3 4 9 11 10 33 100 34 13 9 5 6 2 2 2 1 0 1 1 1 0 1 2 2 0 0 1 1 0 1 2 2 1 1 2 1 0 1 1 1 0 1 2 1 1 1 2 2 0 1 2 1 0 1 2 1 1 4 9 5 4 11 48 76 17 2 1 4 11 6 7 7 7 6 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 6 5 2 2 1 1 4 5 3 5 4 5 9 4 1 1 1 2 3 12 2 1 1 1 1 1 1 1 1 1 1 1 4 17 23 1 1 1 1 1 1 1 1 2 3 7 5 2 3 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 0 1 1 1 1 3 5 3 7 5 3 2 3 4 2 2 1 5 7 3 1 26 40 15 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 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; 1HNMR: 56 56 d 1H J 18 \| 54 54 d 1H J 18 \| 13 13 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(C)c1-c1ccc2c(NCc3ccccc3)c(N)cnc2c1	ir: 1 1 3 2 1 2 3 4 9 5 7 4 4 7 4 10 4 5 10 7 5 8 5 3 7 2 3 2 2 5 16 4 2 7 3 2 2 2 3 4 13 2 3 3 2 2 2 3 3 11 2 1 2 3 2 0 5 2 2 1 2 3 2 2 2 2 2 6 4 6 6 2 3 2 2 1 1 3 2 2 2 2 1 1 2 2 1 2 3 6 1 2 3 6 1 1 2 2 1 1 2 6 2 1 2 2 1 1 4 2 1 2 3 2 6 4 6 4 2 2 2 2 2 2 2 2 1 3 3 8 3 2 2 3 3 7 3 2 3 13 4 3 7 5 8 3 2 6 4 6 2 6 3 24 7 4 15 36 1 2 14 3 1 2 1 1 1 3 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 2 2 3 3 2 1 2 2 3 4 16 5 5 6 2 2 2 2 2 1 1 2 1 1 1 1 2 2 1 3 100 1 3 3 3 6 9 31 12 3 2 1 26 4 3 2 1 1 2 1 1 1 2 1 1 1 2 2 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 s 1H \| 80 79 m 2H \| 77 76 dd 1H J 22 84 \| 74 73 ddq 2H J 8 16 67 \| 73 72 m 4H \| 66 66 t 1H J 58 \| 46 46 dt 2H J 8 58 \| 46 45 s 2H \| 26 25 s 3H \| 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@H](COC(C)=O)n1cnc2cnc3ccccc3c21	ir: 2 2 0 4 5 3 6 14 11 7 2 2 1 1 1 3 16 5 3 5 10 9 4 3 10 44 7 2 1 2 1 2 1 1 1 4 1 1 1 2 4 5 12 35 16 5 2 7 9 15 4 4 4 2 2 3 1 1 4 6 2 8 9 2 2 1 2 4 8 16 7 7 4 6 7 6 2 1 2 2 2 2 2 3 1 2 5 9 5 5 44 3 2 1 7 5 5 11 7 18 59 17 6 4 8 9 3 4 3 3 1 2 2 2 5 10 7 10 11 6 15 12 12 11 9 9 4 10 2 2 0 2 2 2 1 1 2 2 17 7 1 1 1 3 100 11 9 3 10 63 5 33 4 5 5 2 15 9 3 3 6 2 2 1 1 3 13 3 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 4 2 2 1 2 5 1 3 4 2 6 5 9 6 28 10 15 59 47 6 14 4 4 3 2 2 2 2 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 90 90 s 1H \| 84 83 dd 1H J 15 78 \| 81 81 dd 1H J 14 80 \| 80 80 d 1H J 7 \| 77 77 ddd 1H J 13 69 81 \| 77 76 ddd 1H J 13 69 82 \| 45 44 m 2H \| 42 41 dd 1H J 45 107 \| 21 20 s 2H \| 20 19 m 1H \| 18 17 dqd 1H J 48 69 116 \| 10 9 td 3H J 15 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=NCC1CNc2cccc(-c3cc(Cl)ccc3Cl)c2O1	ir: 8 5 4 10 6 26 15 5 2 3 3 3 2 3 4 2 2 2 2 2 1 2 2 2 6 3 3 1 1 2 2 1 1 3 5 1 4 5 4 15 7 4 2 1 1 3 4 3 51 17 2 0 5 100 7 5 3 2 3 3 1 1 3 1 1 2 3 11 11 14 6 8 3 4 2 7 7 2 7 4 3 5 4 4 3 3 5 10 6 2 1 2 4 6 3 3 5 2 2 8 6 7 3 4 5 4 5 10 10 7 2 3 2 3 2 1 5 1 2 2 1 33 9 2 2 2 2 2 2 3 3 16 13 15 5 2 1 21 5 5 6 2 6 21 6 3 4 17 4 4 2 10 3 0 0 5 16 10 3 54 2 4 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 3 12 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 2 2 2 2 2 2 2 2 3 2 4 2 3 5 4 4 4 8 7 35 58 26 10 8 6 3 2 1 1 2 2 1 2 2 1 2 2 2 2 1 1 12 7 13 74 23 10 8 5 2 2 3 11 3 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; 1HNMR: 75 74 m 2H \| 74 73 d 1H J 22 \| 71 70 m 2H \| 69 68 dd 1H J 21 71 \| 63 63 t 1H J 45 \| 44 44 tt 1H J 27 35 \| 38 37 ddd 1H J 26 44 128 \| 37 36 dd 1H J 36 116 \| 35 34 ddd 1H J 27 45 130 \| 34 33 dd 1H J 36 116	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCNc1cccc(C(=O)OC)c1C(=O)OC	ir: 8 6 22 24 6 13 7 14 6 7 6 2 3 4 5 8 13 10 8 8 7 15 10 11 22 66 61 35 38 25 6 19 14 4 8 4 5 5 3 4 2 2 1 4 2 3 4 1 42 20 4 1 2 2 1 5 5 2 3 4 2 1 1 1 2 5 21 7 2 1 2 2 4 13 12 4 1 1 1 2 3 3 5 2 1 1 1 2 4 1 1 1 2 2 1 2 2 3 8 2 1 1 1 2 1 1 2 4 47 34 3 4 2 1 5 31 8 21 39 20 5 4 9 4 2 5 2 2 9 9 10 5 4 3 2 2 5 10 8 5 5 41 1 12 100 12 5 5 3 1 20 10 2 4 2 1 1 3 20 7 17 4 1 1 1 0 1 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 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 1 1 1 1 0 0 1 1 1 1 0 1 1 1 0 1 1 0 1 1 0 1 1 0 0 0 1 0 1 1 1 1 1 2 1 0 1 1 1 1 1 2 3 5 8 6 4 66 19 4 2 2 1 0 1 2 1 0 1 1 1 1 2 2 1 2 5 6 17 16 23 33 77 56 5 1 3 2 2 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 dd 1H J 13 79 \| 74 73 m 2H \| 70 70 dd 1H J 11 82 \| 39 39 s 3H \| 38 37 s 3H \| 35 35 m 2H \| 35 35 s 3H \| 34 33 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cc([C@@H]2CC[C@@H]3CCCCN32)ccc1OCCCN1CCCCC1	ir: 3 3 2 2 9 3 3 1 3 3 7 2 4 3 3 14 5 3 1 3 5 6 5 7 4 2 4 2 2 2 1 1 1 2 3 3 4 4 7 3 4 3 2 3 2 3 8 6 3 8 15 8 9 95 76 85 8 12 6 4 6 1 8 3 3 1 7 8 9 20 27 14 15 12 3 4 2 3 7 10 26 53 21 15 13 8 14 46 47 40 14 10 3 3 4 14 9 19 14 8 7 8 15 7 10 4 13 5 12 6 11 32 21 15 21 22 8 9 5 17 16 9 5 7 13 12 9 6 9 8 13 13 9 10 18 7 12 4 2 3 1 1 2 2 4 4 7 6 49 47 8 6 17 14 3 2 2 2 1 1 1 1 5 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 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 2 2 1 0 2 2 0 1 4 4 5 5 14 6 9 6 6 8 7 12 19 50 29 100 93 32 24 9 4 3 6 6 1 2 2 1 1 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 1 0 1 1 0 0 0 0 1 1 1 0 0 1 0 0 1 0 0 1 0 0 1 0; 1HNMR: 72 71 m 2H \| 69 68 m 2H \| 40 40 m 2H \| 35 35 m 1H \| 28 27 m 2H \| 27 26 ddd 1H J 35 62 125 \| 26 25 m 2H \| 25 25 m 4H \| 21 20 ddddd 1H J 17 38 49 68 124 \| 20 19 m 1H \| 19 17 m 5H \| 16 16 m 4H \| 16 15 m 1H \| 15 13 m 5H \| 12 11 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3S(C)(=O)=O)n(C)c(=O)c2O)cc1C	ir: 56 6 1 5 16 8 10 23 8 16 11 11 13 3 2 5 11 2 2 5 4 2 1 5 5 2 3 10 7 21 13 37 21 36 15 17 16 6 4 4 4 5 15 43 100 25 12 7 6 5 6 14 29 0 75 26 13 3 5 10 4 0 4 5 3 6 22 35 10 5 7 11 9 4 4 5 3 2 5 3 3 8 15 12 16 46 15 13 3 3 9 4 16 21 16 25 3 4 13 14 3 4 6 5 22 40 43 29 40 9 11 14 24 10 8 6 3 7 20 10 2 16 21 18 1 9 5 3 3 4 6 7 8 9 15 8 3 6 14 19 6 5 36 13 44 19 37 56 13 15 11 6 5 8 11 6 2 4 3 12 3 7 4 1 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 4 2 1 3 3 1 1 3 3 1 2 3 4 2 2 4 3 1 2 4 3 2 4 6 3 1 2 5 3 2 2 5 4 5 17 39 21 19 24 52 21 14 66 67 22 5 5 4 3 2 3 4 4 2 3 4 3 2 4 6 11 7 9 25 60 22 8 5 3 3 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 93 92 s 1H \| 85 85 t 1H J 56 \| 82 81 dd 1H J 50 81 \| 79 78 dd 1H J 21 121 \| 74 73 ddd 1H J 22 81 103 \| 71 70 m 2H \| 70 69 dd 1H J 10 20 \| 45 45 dt 2H J 8 56 \| 36 35 s 3H \| 32 32 s 3H \| 23 23 d 3H J 10 \| 22 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(=O)N1C[C@@H](O)[C@H](O)[C@@H](C(F)F)C1	ir: 12 6 11 24 21 17 13 5 5 7 2 2 6 3 4 1 3 5 4 6 3 3 5 9 3 2 1 3 2 3 2 2 2 3 5 3 2 0 1 1 1 3 1 2 4 3 1 2 2 2 2 2 2 2 1 3 1 1 1 1 2 6 3 1 1 1 2 2 2 2 4 4 9 5 8 8 5 1 1 3 3 1 1 1 3 2 2 4 45 49 20 25 29 6 3 3 2 1 1 3 2 6 2 1 1 2 2 3 1 2 3 2 5 4 6 4 1 4 3 2 2 5 4 3 3 2 1 2 5 1 1 1 1 1 1 1 1 2 2 2 2 2 1 0 2 1 3 28 9 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 3 2 3 2 1 1 3 2 0 2 6 7 4 2 1 1 0 1 1 0 5 51 100 33 5 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 60 60 dd 0H J 24 47 \| 43 42 d 1H J 52 \| 40 38 m 5H \| 36 35 m 2H \| 24 23 t 2H J 82 \| 23 22 m 1H \| 16 15 tt 2H J 69 82 \| 14 13 h 2H J 72 \| 10 9 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nc(SC)c(C#N)c(C)c2cc1OCc1ccccc1	ir: 3 5 4 4 5 6 4 4 6 6 3 4 2 2 3 2 3 3 5 8 7 9 17 5 3 4 4 11 5 7 6 6 5 27 22 7 9 23 31 100 39 22 11 7 5 9 6 2 10 27 35 5 3 4 3 0 4 6 4 12 6 6 6 10 6 18 54 46 62 26 13 6 6 8 4 3 4 4 5 5 2 3 2 2 6 13 6 2 17 7 3 2 2 3 1 2 3 5 5 4 8 12 7 4 4 2 1 4 10 9 21 39 8 10 6 5 7 12 5 5 10 4 5 10 5 5 7 4 5 2 3 4 3 9 5 17 12 9 3 5 2 6 33 40 24 4 10 22 6 0 2 8 7 4 79 69 46 29 11 6 3 7 2 3 3 2 3 29 3 1 2 3 1 0 2 3 2 1 2 3 1 11 22 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 2 2 4 2 4 3 5 2 3 2 3 4 2 4 7 8 11 19 47 38 91 78 27 21 9 3 6 3 4 2 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 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 74 74 dq 2H J 10 74 \| 74 73 m 4H \| 73 73 m 1H \| 72 72 s 1H \| 51 51 d 2H J 9 \| 39 39 s 3H \| 27 27 s 3H \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)[C@H]1CN(c2ccc3c(c2)CCOC(=O)N3C)C(=O)O1	ir: 3 3 6 2 3 3 8 5 4 5 4 4 4 6 3 3 3 13 7 2 10 2 3 2 7 10 2 17 5 18 2 8 3 2 2 6 10 21 2 5 2 1 2 1 2 9 2 1 1 3 1 1 1 1 9 10 2 2 1 1 1 1 1 1 3 2 2 6 9 7 6 0 2 2 8 3 2 2 1 1 1 3 2 9 3 1 1 3 1 1 1 3 7 2 1 5 3 1 1 1 2 1 1 4 2 2 10 6 12 3 2 10 6 2 3 6 5 2 3 2 8 6 7 9 23 19 10 3 4 8 1 4 6 5 1 1 1 0 1 2 3 6 3 12 25 19 66 6 4 15 100 21 13 6 14 4 3 1 1 1 1 1 1 4 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 2 4 2 3 2 2 6 3 3 11 9 10 9 30 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 9 30 22 12 15 4 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1; 1HNMR: 74 74 d 1H J 81 \| 73 72 m 2H \| 65 64 q 1H J 51 \| 52 51 dd 1H J 12 32 \| 44 44 t 2H J 70 \| 42 42 dd 1H J 13 130 \| 40 40 dd 1H J 31 130 \| 34 34 s 2H \| 30 29 td 2H J 8 69 \| 28 27 d 3H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1cc2c(c(OC(C)=O)c1)[C@H]1CC[C@]3(C)[C@@H]4O[C@@H]4C[C@H]3[C@H]1CC2	ir: 8 4 7 4 5 10 3 3 4 4 8 7 18 16 3 9 15 6 5 7 6 7 4 3 3 7 4 7 13 4 3 17 7 24 7 12 5 19 19 6 5 3 3 4 4 3 4 4 4 5 12 4 3 5 3 4 4 4 9 7 12 10 6 14 13 30 68 87 76 21 20 11 8 9 11 9 3 4 7 13 13 6 5 8 4 4 4 4 6 9 12 5 4 7 13 39 34 29 61 18 18 23 22 18 6 11 14 7 6 8 22 14 17 11 7 10 5 7 38 12 17 10 22 35 39 35 55 31 13 7 13 7 8 6 11 8 5 7 8 3 14 19 37 29 64 85 7 17 19 17 3 6 5 1 2 7 11 19 4 6 6 1 74 0 3 4 3 4 3 2 3 4 3 3 4 4 4 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 4 3 4 3 5 4 4 6 11 11 13 8 7 6 29 24 22 12 17 16 9 19 58 70 70 32 100 58 8 14 10 11 6 7 7 4 3 4 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 68 67 d 1H J 22 \| 66 66 dt 1H J 9 20 \| 33 32 ddd 1H J 29 37 55 \| 30 30 d 1H J 29 \| 30 29 dddd 1H J 8 52 77 139 \| 28 27 dddd 1H J 8 52 77 139 \| 27 27 m 1H \| 27 27 s 3H \| 23 23 s 2H \| 21 20 m 2H \| 19 16 m 6H \| 15 14 m 2H \| 10 9 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC2=C(C1=O)C(c1ccc(C#N)cc1)N(CC(N)=O)C(=O)N2c1cccc(C(F)(F)F)c1	ir: 9 18 24 16 7 11 16 13 14 32 37 18 16 35 23 22 10 18 22 24 20 19 44 17 16 49 40 28 60 24 30 64 36 39 23 0 52 30 38 26 16 19 21 12 23 55 33 57 21 25 31 29 17 19 22 34 41 20 17 16 16 14 14 7 12 15 13 11 18 18 12 12 12 15 11 12 14 18 10 16 15 16 13 12 17 23 17 16 13 14 8 23 19 14 26 29 23 14 8 34 55 13 9 12 13 13 12 33 45 24 15 19 21 20 11 20 16 19 24 24 27 19 12 15 15 16 10 30 26 12 8 15 18 12 27 33 14 10 9 16 34 34 35 42 17 13 54 22 16 11 11 17 24 21 27 23 18 23 100 17 28 17 39 14 12 8 9 12 9 6 9 11 9 7 9 12 9 7 9 12 9 7 15 11 8 7 10 11 8 7 10 11 8 7 10 12 8 7 11 11 8 7 11 10 8 8 11 10 7 8 11 10 7 8 11 10 7 8 11 9 7 9 11 9 6 9 12 9 7 9 11 9 7 9 12 9 7 10 11 9 7 10 11 8 7 10 11 8 7 10 11 8 8 11 11 8 8 10 11 8 9 11 10 8 8 11 10 7 9 11 11 8 10 15 12 9 14 13 14 10 11 16 13 21 21 36 32 17 91 25 13 9 13 15 10 7 10 11 9 7 12 13 12 8 14 66 11 11 14 12 9 9 12 12 13 12 12 29 51 9 14 14 10 10 12 10 7 8 11 10 7 8 11 9 7 9 11 9 7 9 11 9 7 9 11 9 7 9 11 9 7 9 11 9 7 9 11 8 7 10 11 8 7 10 11 8 8 10 10 8 8 10 10 8 8 11 10 8 8 10 10 7 8 11 10 7 9 11 9 7 9 11 9 7 9 11 9 7 9 11; 1HNMR: 78 78 t 1H J 22 \| 77 76 m 2H \| 75 74 m 3H \| 74 73 ddd 1H J 12 21 71 \| 73 72 ddd 1H J 12 22 106 \| 68 68 s 2H \| 57 56 q 1H J 9 \| 45 44 d 1H J 150 \| 43 43 d 1H J 152 \| 37 36 t 2H J 50 \| 30 30 s 3H \| 28 27 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=Cc1ccccc1)C(=O)c1cccc(C)c1	ir: 1 6 6 1 7 5 3 1 1 1 1 0 1 0 0 1 1 1 0 1 4 1 2 1 0 1 1 1 1 1 2 7 4 2 1 1 1 3 2 6 15 19 15 29 10 5 1 1 5 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 2 1 2 5 1 1 3 2 3 1 1 3 1 2 0 0 0 0 2 2 1 1 0 1 4 4 1 2 0 0 0 1 1 4 2 1 0 0 1 3 1 0 0 0 0 0 1 1 2 0 3 8 11 2 2 5 2 3 1 2 3 3 8 5 3 2 1 0 1 10 1 1 15 15 3 3 13 10 3 2 1 2 47 47 2 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 0 0 1 2 2 6 3 16 100 15 6 2 2 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 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 ddd 1H J 13 22 77 \| 78 78 s 1H \| 78 78 m 1H \| 76 76 m 2H \| 74 73 m 4H \| 73 73 m 1H \| 43 42 q 2H J 71 \| 24 23 d 3H J 8 \| 13 12 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1(COc2ccc(-c3ccc(C#N)cc3)cc2)CCN(C(=O)c2ccc(Cl)cc2)C1	ir: 5 2 3 6 2 3 2 6 3 2 2 5 3 3 2 2 2 1 1 1 1 2 1 2 2 2 2 5 2 3 4 6 8 6 6 15 13 41 13 4 3 6 3 2 1 3 2 1 4 2 3 3 11 26 48 100 16 12 5 4 2 0 2 2 2 0 3 4 12 58 3 1 3 4 1 2 1 3 3 4 2 1 2 2 2 2 3 3 4 5 4 1 2 3 4 3 3 2 5 3 5 5 1 2 3 2 0 1 1 4 4 25 9 8 9 8 11 4 2 4 5 3 8 13 4 4 6 3 6 6 5 8 35 6 2 1 1 2 1 1 3 2 3 21 55 80 8 8 3 6 16 3 10 3 2 0 1 2 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 4 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 5 2 2 1 2 2 2 4 7 9 43 37 21 14 8 5 2 2 2 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 79 m 2H \| 79 78 m 4H \| 76 76 m 2H \| 76 75 m 2H \| 70 70 m 2H \| 45 45 d 1H J 119 \| 43 42 m 1H \| 42 41 dq 2H J 60 73 \| 41 40 dd 1H J 8 124 \| 39 38 m 1H \| 37 36 ddd 1H J 29 47 124 \| 36 35 ddd 1H J 30 48 124 \| 24 23 ddd 1H J 28 48 129 \| 21 20 ddd 1H J 31 49 129 \| 13 12 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1Cn1ccc2cc(NN)ccc2c1=O	ir: 2 3 2 5 3 2 2 2 5 3 2 4 3 3 5 4 5 10 10 12 1 7 96 50 33 20 5 6 7 9 33 13 4 1 4 3 6 4 7 11 13 1 91 38 28 15 33 30 23 10 6 1 4 7 1 2 10 3 2 1 2 4 3 3 4 12 11 24 6 0 3 1 1 2 4 3 1 1 1 0 2 3 1 2 3 5 16 4 15 3 6 7 1 1 2 2 2 3 19 4 5 1 2 6 2 5 2 3 11 4 2 2 2 1 1 2 3 3 1 2 2 1 2 14 6 12 38 3 1 2 2 8 4 9 9 7 6 40 17 93 14 30 30 21 14 3 5 3 7 44 9 3 3 10 7 8 44 9 6 4 4 2 1 1 1 10 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 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 2 1 1 1 2 2 1 1 1 1 2 3 3 4 2 18 58 33 18 21 12 8 3 1 1 1 1 0 1 6 56 51 4 4 1 1 4 4 8 47 100 79 27 6 3 1 2 2 1 1 1 1 0 1 1 1 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 79 78 d 1H J 83 \| 76 75 dt 1H J 9 76 \| 73 73 ddt 1H J 9 18 81 \| 73 72 m 3H \| 70 70 td 1H J 10 78 \| 68 68 m 2H \| 67 66 d 1H J 75 \| 56 56 d 2H J 38 \| 52 51 t 2H J 9 \| 38 38 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-c1cc2c(O)ncnc2[nH]1	ir: 5 9 14 13 12 17 9 4 4 3 4 5 6 9 6 5 10 12 52 36 9 3 3 5 5 3 4 3 3 4 6 3 3 4 4 2 5 11 18 100 66 30 20 16 12 4 4 4 5 2 5 7 7 3 3 4 3 2 3 4 4 5 8 10 12 20 10 6 4 3 4 13 14 17 6 4 9 8 4 4 3 2 4 5 5 6 37 5 4 5 3 3 3 3 3 3 3 3 5 11 3 3 9 4 3 3 3 3 4 4 3 3 3 3 3 3 3 5 5 4 5 4 4 8 4 4 3 3 3 3 3 3 3 3 3 5 12 9 8 13 4 9 13 5 5 3 2 5 5 5 3 6 5 14 76 51 32 24 12 0 2 6 7 1 2 5 3 1 3 4 3 1 3 4 3 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 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 4 3 2 3 4 4 3 4 14 11 8 11 6 4 3 3 3 5 31 21 3 3 2 3 3 3 3 4 3 3 3 3 4 6 17 11 9 5 5 4 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 81 81 s 1H \| 75 75 dd 1H J 13 75 \| 74 74 td 1H J 13 76 \| 71 71 td 1H J 11 75 \| 71 71 s 1H \| 70 70 dd 1H J 12 77 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CCC(N)=C1C(=O)OC	ir: 0 40 31 33 39 60 60 35 25 56 58 37 21 56 46 24 26 40 52 39 25 42 42 23 22 31 40 60 31 38 37 36 17 42 60 20 35 39 34 25 34 43 33 18 22 38 28 15 25 35 23 13 29 41 30 8 29 35 27 10 27 40 21 11 26 34 22 11 27 35 22 14 28 33 17 14 26 34 18 15 41 35 28 21 59 40 38 22 28 28 12 15 27 25 14 15 35 38 20 35 32 25 14 17 44 25 20 27 38 23 7 18 33 22 10 19 31 19 11 25 33 23 9 25 33 22 12 23 31 18 9 30 30 19 17 37 37 50 29 59 40 14 13 27 26 12 15 31 29 29 29 90 77 78 54 49 38 100 56 81 28 10 19 29 23 7 18 31 21 7 19 31 18 6 20 30 18 7 20 29 16 8 21 28 15 9 21 27 15 10 22 26 15 11 23 25 13 12 24 24 12 12 25 23 11 13 25 22 10 14 26 21 10 15 27 21 9 16 28 20 8 16 28 19 7 17 29 18 7 18 29 17 7 19 28 16 8 20 27 16 9 20 27 15 10 21 25 14 11 22 24 13 12 23 24 13 12 24 23 12 13 25 22 12 15 25 22 11 15 29 22 11 16 27 22 12 18 31 23 10 22 29 30 18 42 33 23 9 20 29 19 11 21 28 18 11 22 28 16 15 21 30 18 13 27 44 21 34 24 24 15 14 24 23 16 20 36 79 53 41 42 24 12 15 26 21 10 15 26 20 9 16 26 20 10 17 29 19 10 18 27 19 9 18 28 18 9 19 27 17 10 19 26 16 11 20 25 15 11 21 24 15 12 21 23 14 13 22 23 13 13 22 22 13 14 23 21 12 14 23 21 12 15 24 20 11 16 24 19 11 16 25 19 10 17 26 18 10 18 26; 1HNMR: 80 79 s 2H \| 37 37 s 2H \| 27 26 dtdd 1H J 15 42 56 68 \| 24 23 dddd 1H J 11 50 69 152 \| 23 22 dddd 1H J 10 50 68 150 \| 18 17 m 1H \| 16 15 dqd 1H J 53 78 123 \| 15 14 m 1H \| 14 13 dqd 1H J 53 78 122 \| 10 9 td 3H J 15 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1csc(CCc2ccn3c(=O)c(C(N)=O)cnc3c2)n1	ir: 6 5 13 8 8 9 18 5 4 5 5 7 22 11 5 6 4 2 3 2 2 2 3 2 1 2 3 2 6 4 5 4 2 2 3 1 2 5 5 3 3 5 4 2 3 3 2 3 2 4 6 10 15 15 4 2 4 4 6 5 8 5 2 3 10 28 100 22 17 6 5 6 3 2 2 5 5 2 4 7 9 6 2 2 2 6 18 12 4 4 4 1 3 8 3 2 2 8 41 13 5 6 13 13 6 13 10 13 6 6 7 17 8 22 13 4 12 6 12 6 6 6 7 3 10 5 17 18 10 10 6 4 3 2 1 5 5 7 7 2 2 2 2 2 4 25 5 1 2 2 3 1 5 8 28 41 52 4 4 6 3 1 1 3 2 1 1 2 2 1 7 3 2 1 20 6 24 4 2 3 3 28 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 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 2 2 5 4 3 4 4 7 2 2 3 4 5 8 6 8 10 16 20 84 72 48 10 6 2 2 5 2 0 2 3 1 1 2 3 1 0 13 34 4 3 2 2 1 1 1 1 1 2 2 5 19 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 87 86 d 1H J 71 \| 86 86 s 1H \| 84 83 s 2H \| 74 73 q 1H J 12 \| 70 70 d 1H J 7 \| 70 69 m 1H \| 31 30 m 2H \| 30 30 s 3H \| 14 13 d 6H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCC(O)(c2cc(F)c(Br)cc2F)CC1	ir: 1 2 4 8 5 1 8 5 4 2 3 2 2 2 1 1 2 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 0 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 4 2 1 2 1 1 2 1 6 11 3 2 1 1 1 1 3 3 3 2 2 2 2 1 4 1 1 1 1 1 1 1 1 1 0 1 1 3 2 9 1 1 1 1 1 1 10 3 3 4 2 1 1 2 3 2 2 1 3 1 1 1 1 3 4 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 5 2 2 3 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 4 4 20 4 2 1 0 1 4 6 100 3 1 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 1 1 0 1 1 0 1 0 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 dd 1H J 43 121 \| 71 70 dd 1H J 41 121 \| 41 40 q 2H J 66 \| 38 38 ddd 2H J 38 65 125 \| 35 34 ddd 2H J 38 65 125 \| 32 32 s 1H \| 25 25 ddd 2H J 37 64 134 \| 22 21 ddd 2H J 37 65 134 \| 12 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2[nH]c(C3(CN)CCN(C(=O)OC(C)(C)C)CC3)nc2c1	ir: 3 3 2 8 6 4 1 6 5 8 17 11 7 12 4 4 6 2 0 6 3 2 3 5 4 8 6 12 7 6 5 8 1 2 1 2 2 1 1 2 2 4 3 4 2 2 7 7 14 17 8 10 18 11 4 8 11 4 5 8 7 1 5 3 4 4 5 8 4 9 5 5 13 16 13 30 28 20 7 5 5 5 5 4 5 9 7 5 2 1 3 4 4 2 2 2 2 1 3 7 9 6 3 3 1 2 9 15 2 1 1 2 9 7 9 7 5 14 10 15 4 10 11 16 21 8 8 8 10 15 18 12 17 24 9 10 10 8 13 7 4 4 3 2 2 22 11 2 1 3 41 8 8 5 10 9 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 2 3 2 2 3 3 3 3 3 3 3 2 3 7 18 16 16 13 6 7 3 5 1 1 1 3 3 4 3 12 13 12 12 20 8 10 10 8 14 68 100 11 15 7 9 7 5 2 2 2 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 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; 1HNMR: 74 74 m 1H \| 73 73 d 1H J 75 \| 73 72 m 1H \| 40 39 ddd 2H J 41 68 125 \| 38 37 ddd 2H J 41 68 126 \| 33 32 t 2H J 70 \| 24 24 d 3H J 8 \| 24 23 ddd 2H J 41 69 145 \| 21 20 m 5H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(-c2cc3c(Nc4cccc(Cl)c4)ncnc3[nH]2)cc1	ir: 7 2 6 2 3 3 4 1 22 5 4 4 6 9 9 2 17 4 5 11 28 46 40 32 8 6 3 2 2 6 4 3 2 2 2 3 1 6 7 0 50 1 8 12 3 0 4 7 6 2 1 1 5 2 1 1 8 1 2 2 1 1 1 1 1 1 3 5 6 5 3 3 7 1 2 5 4 12 6 8 3 8 2 2 11 4 3 4 5 2 1 1 1 1 1 1 1 1 8 6 1 4 3 1 5 19 5 1 1 1 1 1 2 2 3 7 6 4 2 1 2 1 2 8 3 2 2 5 1 1 1 1 1 1 1 1 3 17 3 1 3 4 14 36 8 13 83 12 3 1 8 8 10 3 4 25 43 4 3 31 2 3 8 28 2 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 7 18 100 15 11 4 1 3 2 1 1 6 46 4 1 2 1 1 2 2 3 2 3 5 5 13 88 60 38 5 7 3 4 3 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 s 1H \| 84 84 s 1H \| 79 79 s 1H \| 79 78 m 2H \| 77 77 m 2H \| 76 76 t 1H J 22 \| 73 72 t 1H J 78 \| 71 71 ddd 1H J 13 22 77 \| 71 71 ddd 1H J 12 21 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)C1	ir: 8 10 9 4 11 20 6 4 4 17 14 24 6 10 6 4 2 2 4 3 1 2 1 1 1 1 2 1 1 1 1 0 1 3 4 1 1 1 3 3 1 4 2 2 1 1 2 1 2 10 7 2 8 60 68 6 9 6 10 5 2 3 5 6 1 2 1 3 15 9 1 1 4 2 5 0 2 2 2 9 1 1 1 1 2 8 7 1 1 1 2 2 3 6 3 2 2 4 3 3 2 3 4 1 2 2 1 3 4 2 1 2 4 5 19 10 15 17 54 36 21 23 27 15 3 3 7 5 6 16 35 20 11 4 2 2 3 3 2 11 9 4 2 4 11 35 36 3 3 4 17 100 12 4 2 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 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 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 2 1 2 3 4 3 2 2 3 8 2 3 2 5 9 9 16 37 39 35 49 18 10 6 15 2 2 3 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 4H \| 41 41 t 2H J 10 \| 38 38 m 2H \| 30 30 ddq 2H J 10 41 58 \| 18 18 t 3H J 10 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CCNC(=O)OC(C)(C)C)CC3)cc12	ir: 2 12 5 4 2 15 5 2 2 5 3 3 2 2 2 1 7 6 2 1 1 3 3 2 2 3 8 4 7 9 31 48 15 7 5 11 2 14 4 8 37 6 7 2 1 2 2 11 2 19 3 20 24 100 7 2 2 0 1 1 1 4 7 5 3 3 3 4 4 4 2 0 2 1 6 3 2 2 4 8 5 12 18 3 4 15 2 2 1 1 0 1 9 3 4 3 2 14 10 6 6 2 3 1 0 1 2 3 1 2 2 1 1 2 2 7 3 4 4 4 10 10 6 6 12 3 2 3 3 18 6 6 4 1 2 16 0 1 1 0 2 5 10 10 24 24 23 7 7 44 5 9 31 14 1 3 8 2 8 2 2 1 3 4 2 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 1 1 1 0 1 1 1 1 1 1 1 2 2 1 1 3 1 1 3 1 20 15 12 24 11 17 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 6 19 18 54 40 26 3 2 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 1H \| 85 84 d 1H J 46 \| 76 76 s 1H \| 75 75 d 1H J 44 \| 73 72 dd 1H J 23 121 \| 70 69 m 2H \| 59 59 tt 1H J 9 33 \| 54 53 t 1H J 45 \| 39 39 s 3H \| 34 33 dt 2H J 9 33 \| 33 33 q 2H J 48 \| 31 31 tq 2H J 10 51 \| 29 29 m 2H \| 28 27 t 2H J 49 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1CC(=O)CN1C(=O)OC	ir: 7 10 14 33 34 21 26 12 73 27 2 4 5 3 2 3 4 3 3 6 6 5 2 4 3 3 3 5 10 3 2 3 4 3 2 3 3 2 2 2 2 2 5 4 4 2 3 2 2 2 2 3 2 1 2 6 15 16 3 2 4 6 2 2 26 24 9 4 3 6 6 4 2 2 4 5 7 2 2 2 2 2 2 2 2 2 4 4 5 5 12 4 2 2 3 4 3 9 10 3 2 2 3 35 12 3 3 3 6 6 22 59 19 23 8 4 3 5 8 4 4 9 93 73 24 15 7 11 11 7 5 8 61 12 7 1 1 5 6 1 8 11 9 97 54 20 3 4 7 11 23 100 7 0 1 3 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 4 3 4 9 16 8 3 4 6 7 19 6 15 17 42 3 2 3 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 47 46 ddd 1H J 18 52 70 \| 43 43 d 1H J 138 \| 42 41 dd 1H J 18 140 \| 37 36 d 6H J 145 \| 30 30 dd 1H J 51 152 \| 28 27 dd 1H J 71 152	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(=O)c1c(CC)nc2c(-c3c(C)cc(C)cc3OC)nccn12	ir: 3 6 2 3 4 3 7 4 4 6 5 4 5 2 3 4 4 11 8 34 4 6 7 4 5 3 5 3 9 23 16 3 2 3 7 2 2 4 2 4 6 22 9 5 7 19 14 18 11 9 6 12 8 12 4 8 4 8 6 6 3 9 14 4 11 8 6 4 10 3 4 12 9 10 4 2 6 6 8 16 10 5 5 5 18 17 3 2 3 5 3 8 5 9 46 10 6 3 3 2 2 4 2 2 4 15 0 4 4 2 2 4 15 8 4 9 4 11 11 17 23 6 3 11 13 4 10 30 22 3 5 3 6 4 3 2 1 3 2 3 2 2 2 2 2 5 4 5 3 100 13 7 3 14 26 1 27 7 67 28 7 11 8 6 3 1 2 4 2 0 2 3 2 0 1 3 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 2 3 9 3 2 5 8 4 6 5 5 5 3 5 7 37 46 31 12 36 11 12 6 10 4 13 20 13 14 11 4 2 2 2 2 2 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1; 1HNMR: 80 80 d 1H J 70 \| 80 79 d 1H J 70 \| 69 69 m 1H \| 68 67 d 1H J 27 \| 39 39 s 3H \| 30 30 t 2H J 62 \| 30 29 q 2H J 70 \| 24 23 s 3H \| 23 23 s 3H \| 17 16 qt 2H J 62 74 \| 13 13 t 3H J 70 \| 10 9 t 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(=O)OCc1cc(O)ncn1	ir: 5 57 50 94 81 12 0 7 10 5 7 6 12 11 16 10 13 6 4 6 8 9 11 11 12 6 5 6 20 12 7 7 6 9 23 31 47 20 14 10 11 7 6 6 6 5 7 8 7 5 4 6 5 4 5 7 6 5 9 11 7 8 11 20 50 52 21 14 20 11 25 90 72 28 29 18 8 6 6 6 4 4 5 6 7 6 31 10 5 5 5 7 5 5 6 6 5 4 7 8 5 9 5 7 7 6 7 7 12 34 14 9 12 10 8 8 6 8 15 10 7 9 8 7 10 12 14 6 4 5 7 4 4 8 9 19 9 12 11 11 20 99 41 27 33 34 10 6 5 4 5 4 4 4 4 6 6 3 100 63 6 7 4 2 4 6 4 2 4 6 4 2 4 5 4 3 4 5 4 3 4 6 4 3 4 5 4 3 5 5 4 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 4 5 5 4 3 4 4 4 3 4 4 3 4 4 4 3 4 5 5 4 4 5 6 13 5 8 7 4 5 7 5 5 6 15 11 15 14 22 11 8 6 8 5 4 5 7 33 79 8 7 5 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 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 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3; 1HNMR: 82 82 d 1H J 15 \| 62 62 dt 1H J 8 15 \| 53 52 d 2H J 10 \| 24 23 t 2H J 81 \| 17 16 m 2H \| 14 13 m 5H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1CCC2(CC1)OCCO2	ir: 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 3 2 4 5 5 16 13 5 3 3 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 4 4 4 2 2 2 1 2 2 3 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 4 4 4 2 2 3 6 4 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 5 8 6 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 2 2 2 2 2 2 2 4 3 2 2 2 1 1 1 2 1 0 2 16 100 82 4 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 39 39 s 3H \| 23 22 p 1H J 60 \| 20 17 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N(c1ccc(Oc2ncccc2Br)cc1)c1nc2ccccc2s1	ir: 1 3 7 12 6 2 5 4 3 6 21 7 2 2 1 3 1 1 1 2 3 3 3 9 5 6 10 3 7 2 2 1 2 3 7 10 12 24 12 12 12 14 19 11 11 8 3 2 2 2 1 4 5 6 48 0 9 4 2 1 2 4 4 1 1 1 1 0 2 12 5 2 1 1 1 2 2 1 1 5 18 9 3 1 1 7 3 5 2 1 2 1 1 1 1 1 2 1 3 1 1 1 3 3 3 7 1 4 2 1 0 1 1 1 0 4 1 1 5 8 5 3 2 2 5 8 3 3 6 11 17 5 3 2 1 1 11 3 2 7 3 2 17 19 12 4 2 8 4 3 1 8 39 100 33 13 4 7 3 1 2 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 1 0 0 2 2 2 1 6 7 13 10 27 73 54 19 6 1 2 2 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 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; 1HNMR: 82 82 dd 1H J 22 42 \| 78 78 dd 1H J 20 81 \| 77 77 dd 1H J 13 70 \| 77 76 dd 1H J 14 76 \| 74 74 m 2H \| 73 73 m 2H \| 73 72 td 1H J 14 73 \| 71 71 m 2H \| 15 15 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCOc1ccc(C(=O)O)cc1	ir: 1 2 1 1 1 1 1 2 3 1 1 3 2 3 6 7 4 6 4 10 33 51 28 35 15 3 2 1 1 1 2 2 1 1 1 1 1 1 1 0 0 1 0 0 0 0 1 1 1 3 1 1 1 4 4 2 5 7 1 3 1 2 1 1 2 1 2 1 1 3 5 4 4 5 8 9 5 3 14 8 6 8 0 0 1 3 2 4 3 5 2 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 7 9 4 3 2 2 2 1 2 1 3 4 1 1 0 0 0 0 0 0 0 0 0 0 1 2 10 12 7 10 4 1 1 0 3 6 3 4 4 1 1 0 0 0 0 0 0 7 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 1 0 0 1 1 1 2 2 2 13 12 13 5 1 2 1 1 1 8 100 64 36 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H \| 69 69 m 2H \| 52 52 s 2H \| 35 35 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1ccc2[nH]ccc2c1	ir: 1 2 6 9 29 4 5 4 1 1 2 5 1 2 1 5 5 2 6 1 10 41 39 2 2 1 2 1 0 1 3 2 8 2 2 1 2 2 3 4 1 1 3 2 1 1 2 8 75 16 7 4 8 9 19 7 9 4 1 1 5 2 1 1 2 4 23 8 10 3 2 0 3 7 26 18 5 5 6 21 1 1 0 1 2 3 7 2 3 5 5 3 8 6 8 9 6 5 4 7 1 8 7 48 5 11 7 1 2 1 1 1 3 1 1 1 2 1 2 2 2 5 2 11 19 11 6 2 5 5 1 4 2 1 3 3 1 11 5 8 4 16 15 5 5 1 1 1 6 17 5 7 50 13 16 24 17 2 3 54 14 10 1 2 1 1 2 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 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 2 4 3 11 9 5 25 53 36 100 15 29 13 1 3 0 1 2 1 0 1 1 2 0 1 1 1 0 2 3 5 5 1 45 12 2 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 94 93 d 1H J 66 \| 78 77 dp 1H J 12 29 \| 74 73 m 1H \| 73 72 d 2H J 13 \| 72 72 dd 1H J 32 67 \| 69 69 m 1H \| 69 68 m 1H \| 65 64 dd 1H J 22 32 \| 59 59 q 1H J 13 \| 53 53 dd 2H J 9 35 \| 52 51 d 2H J 9 \| 24 24 d 3H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccn([C@H]2CC[C@@H](CO)S2)c(=O)n1	ir: 3 2 4 4 3 3 3 4 4 5 5 2 3 2 3 2 4 4 4 5 3 4 2 5 4 3 3 4 2 2 3 3 3 4 2 2 2 2 3 2 2 3 2 3 4 13 15 15 3 10 7 15 8 6 2 2 2 2 2 4 4 2 3 3 4 4 2 1 2 3 2 2 2 3 1 3 3 3 1 2 2 3 3 5 6 13 21 5 5 5 7 10 15 3 2 1 2 2 2 1 3 3 3 3 5 6 22 3 3 2 4 8 3 2 2 2 5 2 2 2 2 2 2 2 3 5 7 4 4 3 2 4 3 5 2 2 2 2 2 2 2 2 2 2 3 3 5 7 7 49 7 6 12 39 7 3 2 2 3 20 2 1 2 2 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 2 2 2 3 2 4 3 4 4 6 3 2 1 4 5 10 4 3 3 9 43 18 3 3 2 3 3 2 2 4 6 13 2 2 2 1 1 3 4 0 0 7 100 25 5 1 1 3 3 1 1 2 2 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 dd 1H J 18 66 \| 69 69 s 2H \| 61 60 m 2H \| 39 38 ddd 1H J 39 52 106 \| 36 35 ddd 1H J 38 52 106 \| 34 34 dddd 1H J 12 24 33 69 \| 26 26 t 1H J 53 \| 24 23 m 1H \| 22 21 m 2H \| 19 19 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cc1)c1ccccc1	ir: 2 3 3 8 3 2 4 2 4 2 1 2 3 2 3 19 3 4 5 4 6 5 3 3 3 3 6 4 6 4 2 5 14 28 31 48 44 17 8 3 2 6 2 2 3 4 4 6 5 5 5 2 5 20 20 16 12 12 3 3 2 4 3 13 3 2 1 3 6 25 8 6 14 8 4 3 3 5 8 5 3 2 11 3 4 2 2 4 5 3 3 2 0 1 4 6 1 1 73 12 8 2 0 12 5 2 0 1 3 1 3 6 24 4 3 5 3 7 3 5 7 24 12 14 7 10 8 5 2 2 2 4 5 4 4 2 15 4 5 10 15 100 18 11 15 30 16 17 10 5 5 4 37 4 5 36 5 1 1 3 2 3 10 9 3 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 2 2 1 1 2 1 1 1 2 1 1 1 2 2 3 1 2 2 1 2 3 6 4 5 7 42 72 55 34 16 9 4 3 4 3 3 3 2 1 2 2 2 1 2 3 2 3 3 11 17 30 35 8 4 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 d 1H J 19 \| 87 86 dd 1H J 17 48 \| 82 81 dt 1H J 19 70 \| 78 78 m 2H \| 77 77 m 2H \| 75 74 m 6H \| 72 71 t 1H J 57 \| 71 71 q 1H J 17 \| 46 45 dt 2H J 9 56	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cnc(Oc2cccc(C(F)(F)F)c2)c(Br)c1	ir: 1 3 2 4 3 4 5 10 4 5 3 3 2 2 2 2 3 2 3 3 2 2 2 1 3 2 2 2 2 3 5 10 11 11 5 16 64 12 6 8 4 7 7 6 2 4 2 16 25 6 4 6 2 4 3 1 5 6 3 2 3 3 7 2 2 4 5 5 33 9 3 1 5 3 2 2 2 4 4 8 8 40 12 6 8 19 39 16 23 15 14 16 10 30 7 4 4 3 14 10 23 6 1 2 5 3 18 13 3 2 1 2 2 5 36 10 7 2 2 2 6 7 6 15 5 4 3 43 3 9 5 7 59 4 1 2 3 2 2 3 22 11 4 2 53 4 0 3 2 0 1 4 10 38 3 14 3 1 4 20 13 4 2 3 2 0 1 2 1 0 1 3 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 3 2 2 2 3 2 2 3 2 7 0 33 100 60 8 4 1 3 7 3 26 6 4 2 1 3 3 2 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 79 79 tp 2H J 9 17 \| 75 74 dd 1H J 73 106 \| 74 74 ddd 1H J 13 20 106 \| 73 73 t 1H J 21 \| 72 71 ddd 1H J 14 21 71 \| 48 48 dt 2H J 9 61 \| 42 41 t 1H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCC(=O)c1ccc(Cl)c(O)c1	ir: 0 0 0 1 2 1 1 2 1 2 3 2 2 2 2 1 2 2 3 14 6 15 6 8 4 1 2 2 1 1 0 1 0 1 0 1 1 1 1 1 0 1 2 4 0 1 1 0 1 1 0 0 1 2 3 3 2 0 1 1 0 0 0 0 0 0 0 1 0 3 0 0 0 1 2 1 1 1 3 9 4 4 3 1 1 1 3 1 1 1 2 7 1 1 1 0 1 1 3 4 0 1 0 0 0 0 0 0 1 1 0 0 1 0 1 1 1 1 2 2 1 2 2 0 0 1 2 1 1 1 1 0 1 0 1 1 0 0 0 2 2 6 7 8 2 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 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 1 0 1 1 1 0 0 0 0 0 1 1 1 2 10 6 1 1 0 0 0 2 100 15 22 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 dd 1H J 21 89 \| 75 74 d 1H J 89 \| 73 73 d 1H J 21 \| 69 68 s 1H \| 34 33 t 2H J 91 \| 28 27 t 2H J 91	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(C)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ir: 2 2 4 3 4 2 1 2 4 3 2 2 2 2 1 2 2 1 1 2 3 2 2 2 2 2 2 5 3 2 2 2 2 2 2 3 4 2 3 3 12 8 9 4 3 2 2 2 2 2 2 2 2 1 2 2 5 2 1 2 4 2 3 5 4 4 4 11 7 4 3 3 3 5 4 5 4 4 8 8 6 9 38 11 2 4 8 4 1 1 2 2 1 2 6 6 3 2 2 4 4 17 3 2 1 1 2 1 2 2 3 3 1 2 3 3 3 3 5 4 3 3 2 3 4 4 3 2 2 3 4 3 3 3 3 5 3 2 2 1 2 2 3 11 10 14 8 2 3 7 6 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 1 2 1 1 2 2 2 3 3 2 1 1 2 2 1 2 2 2 4 4 6 12 5 3 11 16 7 2 0 2 6 5 98 100 2 3 4 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 78 77 s 2H \| 61 60 s 1H \| 50 49 q 1H J 57 \| 38 37 dq 1H J 60 119 \| 36 36 dq 1H J 60 112 \| 14 14 s 16H \| 14 13 d 4H J 57 \| 13 12 t 4H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCc1cc(C(=O)O)cc(OC)c1O	ir: 1 1 2 3 4 5 4 16 34 52 34 10 11 7 4 9 15 5 8 5 9 30 100 23 2 4 5 3 1 3 3 1 1 1 1 2 6 2 2 1 2 5 1 1 1 1 1 1 1 2 1 0 4 2 5 2 1 1 4 4 3 5 1 3 2 2 2 4 13 5 2 11 13 7 7 5 8 5 26 2 3 4 13 2 4 12 27 4 7 5 4 2 2 1 0 0 1 1 0 1 5 29 2 1 5 7 1 1 1 1 0 1 6 1 2 1 2 3 4 8 2 3 1 1 2 1 8 1 5 2 3 2 1 1 1 2 7 5 4 5 6 2 1 1 3 16 6 2 1 0 1 0 1 0 0 1 0 1 3 1 1 0 0 2 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 1 0 0 1 1 1 8 4 3 3 3 7 9 26 11 3 2 2 1 4 5 7 18 53 7 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 dt 1H J 9 18 \| 74 74 d 1H J 22 \| 69 69 s 1H \| 59 58 ddt 1H J 77 101 169 \| 51 50 m 1H \| 50 49 m 1H \| 39 38 s 3H \| 33 33 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3Cl)CC2)c(C)c1	ir: 7 10 14 6 1 10 6 10 11 9 6 2 3 5 3 5 4 11 7 3 3 25 9 3 8 5 5 2 3 2 7 9 5 17 8 10 32 34 13 10 28 6 9 9 8 6 4 3 3 3 2 4 4 7 50 25 9 25 3 0 13 6 3 22 6 10 18 15 10 15 5 2 9 4 2 1 3 6 4 8 10 4 13 24 4 8 16 16 9 8 5 5 9 5 3 6 7 13 9 6 6 6 19 5 3 13 5 4 7 18 21 9 10 7 11 12 10 7 2 8 15 36 34 13 10 10 17 5 12 14 21 8 16 54 5 4 10 2 5 93 8 8 5 4 6 3 5 14 19 100 26 7 12 26 37 6 5 4 3 3 19 6 44 5 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 1 3 3 2 1 2 2 2 2 3 3 1 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 3 3 1 2 3 3 2 2 3 3 2 2 6 3 2 5 5 5 4 7 8 6 6 4 4 9 27 49 9 24 67 30 9 4 4 5 4 3 2 3 4 2 1 2 3 2 1 3 3 2 2 3 3 1 2 3 3 2 2 3 2 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 78 78 m 2H \| 75 74 d 1H J 22 \| 74 73 dd 1H J 21 83 \| 71 71 m 1H \| 39 38 dd 2H J 37 47 \| 37 36 m 4H \| 36 36 m 4H \| 26 26 t 2H J 54 \| 24 23 d 3H J 8 \| 22 21 s 2H \| 21 20 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCN1N=CN(Cc2ccccn2)N1	ir: 1 5 8 17 5 2 4 3 3 3 5 3 4 1 1 1 1 1 0 1 1 1 2 2 2 2 2 2 2 2 8 6 15 6 6 8 17 20 14 24 6 2 2 2 3 3 4 4 5 3 3 9 5 18 13 6 8 12 6 4 4 22 19 34 32 34 12 8 5 15 8 3 6 4 4 1 2 4 12 10 11 6 5 2 28 9 3 2 6 11 5 3 3 3 1 3 12 32 4 3 2 3 4 8 10 21 6 14 12 5 2 8 8 5 6 7 1 12 4 12 13 8 4 9 6 4 6 4 3 5 8 5 5 3 10 6 15 8 10 9 8 1 2 5 13 53 43 48 15 7 8 5 5 11 7 4 100 39 8 5 2 1 1 1 1 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 3 2 3 4 5 6 2 2 3 4 4 8 9 28 16 32 47 28 8 6 7 2 18 10 12 9 9 72 61 12 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 17 42 \| 77 76 td 1H J 17 76 \| 75 75 t 1H J 10 \| 73 72 m 2H \| 47 47 d 2H J 11 \| 31 31 m 2H \| 18 17 p 2H J 67 \| 14 13 m 2H \| 13 12 m 17H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2	ir: 2 1 1 1 3 3 3 1 1 1 2 2 2 1 1 2 2 2 2 2 1 2 2 10 11 2 1 2 2 1 2 5 11 1 1 1 2 1 1 3 5 8 2 2 4 20 10 25 31 5 2 1 20 5 2 2 3 2 2 1 1 2 2 8 4 1 2 6 4 3 2 2 3 1 5 4 3 4 23 30 5 5 9 4 2 1 1 2 1 16 28 13 3 7 2 1 2 2 1 1 1 1 1 1 0 1 1 1 0 4 17 17 6 2 3 1 0 2 8 17 22 9 2 1 2 1 4 6 5 9 12 2 1 3 2 2 3 1 1 4 6 4 5 1 1 0 0 1 1 1 0 1 1 0 0 1 3 1 1 3 2 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 6 8 5 3 14 16 4 2 1 1 2 6 100 86 12 1 1 1 1 1 2 3 1 32 32 16 4 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 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; 1HNMR: 71 70 dd 1H J 67 81 \| 67 67 dd 1H J 13 68 \| 67 66 dd 1H J 12 81 \| 53 53 s 1H \| 34 34 dt 1H J 27 76 \| 33 32 ddd 1H J 40 68 77 \| 31 30 dd 1H J 39 164 \| 30 29 ddt 1H J 28 55 135 \| 28 27 m 2H \| 21 20 ddd 1H J 28 55 137 \| 19 18 ddd 1H J 29 57 139 \| 12 12 s 2H \| 10 9 d 6H J 86	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC2CC(C)(CN2C(=O)c2ccc(OC3CCC(C(N)=O)CC3)cc2)C1	ir: 1 1 1 2 1 1 1 2 6 5 3 7 3 15 51 12 34 13 12 11 13 2 8 6 2 2 2 12 8 12 9 27 57 59 60 19 12 7 23 13 5 3 2 9 5 2 2 4 2 3 3 4 4 23 26 8 29 11 5 4 2 4 3 4 2 5 6 1 3 17 3 7 2 5 3 3 7 13 4 1 1 2 2 3 8 2 2 4 3 2 3 3 4 4 5 3 1 1 2 2 4 2 3 2 3 5 4 4 11 10 13 17 10 10 16 10 4 6 10 10 9 5 9 6 10 20 13 2 9 6 17 14 35 14 3 2 5 3 2 2 3 2 2 7 70 100 8 5 4 7 45 11 3 16 9 6 9 65 47 7 3 12 38 1 1 1 1 0 1 1 1 0 0 1 0 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 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 2 2 1 5 6 7 3 2 6 4 4 12 20 39 8 29 45 30 8 7 4 3 2 2 1 1 1 1 1 2 2 2 2 31 24 2 5 3 1 1 0 1 1 2 3 7 85 23 6 4 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0; 1HNMR: 77 76 m 2H \| 70 70 m 2H \| 64 63 s 2H \| 45 44 p 1H J 50 \| 40 39 tt 1H J 37 48 \| 37 36 d 1H J 119 \| 34 34 d 1H J 119 \| 24 23 p 1H J 57 \| 21 19 m 7H \| 18 18 dd 1H J 37 123 \| 18 16 m 6H \| 15 15 d 1H J 130 \| 12 12 d 1H J 130 \| 10 10 s 3H \| 10 9 s 3H \| 9 9 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(C3CC3)c(Cl)c2)cc1Cl	ir: 10 13 0 50 1 22 16 11 6 7 9 6 6 8 10 8 6 8 13 13 24 16 46 31 21 16 8 10 8 11 16 11 9 10 19 19 13 16 26 38 50 20 27 13 14 11 12 7 7 8 9 21 21 8 7 6 7 12 19 9 8 8 6 9 15 18 18 50 38 29 16 11 6 7 7 6 6 6 7 17 16 8 6 9 10 13 23 71 100 19 11 9 15 10 6 14 16 8 11 10 10 11 6 11 28 19 10 6 8 7 10 7 7 6 6 7 7 7 7 8 15 16 18 26 31 12 17 7 6 7 9 10 9 34 100 10 20 63 12 11 9 12 16 28 10 8 12 17 15 17 18 32 39 28 11 8 6 5 6 8 8 18 7 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 6 6 5 6 6 6 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 7 6 5 6 6 6 5 6 6 5 5 6 6 5 5 6 6 6 6 6 6 6 6 13 12 6 6 6 6 6 6 6 6 6 9 17 10 25 14 22 21 31 30 11 12 11 10 6 6 6 6 6 6 7 6 6 7 6 6 6 6 6 6 8 17 32 66 34 12 8 8 8 6 6 7 6 5 5 6 6 5 5 6 6 5 5 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 6 6 6 5 5 6 6 5 5 6 6 5 6 6 6 5 6 6 6 5 6 6; 1HNMR: 81 81 d 1H J 16 \| 79 79 s 1H \| 73 72 d 1H J 16 \| 71 71 s 1H \| 70 69 s 1H \| 33 33 s 3H \| 25 24 p 1H J 59 \| 20 19 m 2H \| 12 12 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(CC(C)N)cc1OCC	ir: 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 2 2 2 13 4 1 1 1 1 1 1 1 9 2 1 1 1 0 1 1 3 1 1 1 1 2 3 1 1 1 3 1 0 0 1 1 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 1 1 1 1 1 0 1 1 1 2 2 4 2 2 1 1 5 8 2 1 0 0 0 1 3 0 0 0 0 0 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 2 2 1 4 4 1 0 0 0 0 0 0 0 1 1 1 3 8 6 3 2 2 1 0 3 65 100 4 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 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; 1HNMR: 68 67 d 2H J 8 \| 67 66 p 1H J 9 \| 42 41 dq 4H J 63 171 \| 33 33 d 2H J 60 \| 32 31 m 1H \| 29 28 ddd 1H J 9 56 143 \| 26 26 ddd 1H J 9 57 141 \| 15 14 t 6H J 62 \| 12 11 d 3H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC(=O)c1cnc(Oc2ccc(F)cc2F)nc1Oc1ccc(F)cc1F	ir: 1 1 0 1 2 2 1 0 1 1 2 1 1 1 1 1 1 2 2 2 1 2 2 1 1 1 2 2 2 1 1 1 2 2 4 4 8 15 9 9 16 16 10 42 22 15 6 3 1 2 2 0 2 4 11 21 9 3 2 5 2 1 1 3 4 2 3 16 6 3 2 1 1 1 1 1 1 1 0 0 2 1 1 0 0 1 2 5 2 2 1 1 1 2 1 1 1 1 0 2 3 2 1 0 1 0 1 1 2 2 3 2 2 1 3 3 2 2 1 2 3 10 5 1 3 1 2 4 1 15 34 6 3 2 0 1 2 7 11 13 2 10 16 33 64 11 1 2 9 22 54 5 31 4 2 4 4 8 100 71 8 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 4 4 8 12 12 80 33 5 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H \| 72 71 m 2H \| 70 69 m 4H \| 30 30 d 2H J 72 \| 22 21 dh 1H J 71 141 \| 10 10 d 6H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1[nH]c(C(=O)O)nc1Cl	ir: 11 25 7 14 1 4 3 7 11 6 7 16 21 9 10 19 6 2 2 3 3 2 2 6 5 2 2 2 2 2 2 3 2 1 2 3 2 2 3 5 5 1 5 4 3 2 2 4 3 3 3 3 4 3 3 6 4 4 3 4 2 2 3 3 3 3 3 5 3 2 4 7 6 11 8 5 7 2 5 5 4 4 4 8 22 11 3 4 13 12 20 20 16 11 10 14 24 45 22 6 6 6 6 10 1 6 4 9 6 15 23 10 10 15 12 23 82 23 26 33 8 10 11 11 13 6 4 3 4 4 8 6 4 3 3 6 8 32 6 4 3 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 14 0 3 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 5 6 5 6 5 11 9 10 9 8 6 7 10 4 11 17 17 25 6 7 3 4 4 2 3 4 10 20 31 15 100 24 39 11 7 6 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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; 1HNMR: 29 28 t 2H J 60 \| 19 18 qt 2H J 60 74 \| 11 10 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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