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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
Cc1c(C(=O)O)sc2nc(-c3ccc(F)cc3)cn12	ir: 4 8 3 1 1 2 3 1 1 3 2 7 6 4 3 2 3 2 0 1 1 2 1 0 0 1 2 1 0 1 1 0 2 2 1 0 0 0 0 1 1 1 0 1 0 1 2 5 2 2 5 4 15 11 13 15 11 6 2 1 3 3 2 0 1 2 2 2 4 7 5 12 11 4 5 1 2 1 2 2 2 3 11 22 12 5 3 3 4 4 1 2 1 3 2 1 1 1 3 6 5 2 2 1 1 0 0 1 1 1 0 1 4 6 11 7 0 3 5 2 3 1 2 2 2 3 6 4 7 4 1 3 2 1 15 2 1 1 3 3 2 3 100 91 1 2 2 0 4 7 29 3 8 1 0 1 1 0 0 1 0 0 0 1 0 0 0 3 41 8 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 2 1 2 1 1 1 1 1 1 2 2 5 5 8 5 7 11 27 25 15 7 17 6 4 1 1 61 15 5 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H \| 79 78 m 2H \| 73 72 m 2H \| 25 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCc3cccc(O)c3)c2cc1C	ir: 2 2 2 2 2 5 4 2 2 4 2 2 6 2 2 2 2 2 2 2 2 3 2 2 2 6 12 3 8 2 4 5 2 2 2 2 2 2 2 2 2 2 3 9 2 4 4 12 3 3 2 2 2 2 3 10 71 6 2 0 2 3 2 2 4 5 3 6 2 3 5 6 3 3 2 1 4 4 2 3 6 6 10 34 4 2 2 2 5 6 3 1 2 2 2 5 2 3 6 2 2 1 2 2 5 3 7 4 3 3 3 2 2 3 2 2 5 3 4 2 2 3 2 14 3 3 2 3 5 2 1 2 3 2 1 3 6 6 3 2 4 3 1 2 5 4 3 15 3 2 1 4 5 5 12 5 7 13 2 2 5 4 5 21 2 3 4 2 2 2 2 1 2 2 2 2 2 2 1 2 1 1 1 1 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 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 2 1 1 2 1 1 1 1 1 1 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 1 1 2 2 2 3 2 2 2 2 2 3 3 1 3 3 5 0 6 33 8 4 2 1 2 2 5 100 11 5 2 1 2 2 2 1 2 2 2 3 3 2 5 19 29 5 1 10 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 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: 94 94 s 1H \| 77 76 s 1H \| 76 76 s 1H \| 72 71 dd 1H J 76 85 \| 69 69 m 1H \| 68 68 ddd 1H J 11 21 84 \| 66 66 tt 1H J 9 22 \| 54 53 s 1H \| 43 42 t 2H J 58 \| 27 26 tt 2H J 8 83 \| 24 24 s 3H \| 24 23 s 3H \| 21 20 tt 2H J 58 83	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C=C(Cl)Cl)NC(=O)c1nn(Cc2ccccc2F)c2ccccc12	ir: 4 4 5 5 7 4 3 3 5 5 3 4 3 5 4 4 6 10 13 8 9 4 8 9 12 12 26 11 7 4 3 3 4 5 11 10 4 4 4 5 8 29 18 41 21 83 100 19 5 0 3 4 3 1 3 4 3 1 4 4 3 2 3 4 27 7 6 3 2 3 6 5 3 5 8 6 4 4 3 3 2 3 4 4 3 4 4 4 4 7 14 7 4 16 4 5 4 3 3 3 4 4 5 4 3 5 5 5 4 4 5 4 4 10 11 14 7 9 10 9 9 7 12 17 8 15 23 10 32 6 5 3 3 3 4 4 6 5 4 16 43 28 29 15 11 10 10 14 17 9 5 28 21 22 10 4 5 3 4 3 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 3 3 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 3 2 3 3 3 2 4 3 4 3 4 4 4 9 8 12 21 18 39 69 38 15 9 8 4 3 4 4 2 2 3 3 3 2 3 3 3 3 4 3 3 7 13 9 11 48 24 12 6 3 3 4 3 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2; 1HNMR: 82 82 dd 1H J 14 80 \| 78 77 dd 1H J 14 74 \| 75 74 td 1H J 13 73 \| 74 74 dddt 1H J 8 18 36 84 \| 74 73 dddd 1H J 16 40 79 86 \| 73 72 ddd 1H J 14 71 84 \| 72 72 d 1H J 97 \| 72 71 m 2H \| 60 60 dt 1H J 8 37 \| 56 55 dd 2H J 9 38 \| 45 44 ddddd 1H J 16 34 52 68 104 \| 19 18 m 1H \| 17 16 m 1H \| 10 9 td 3H J 15 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1Cl)C(O)c1ccc(Br)s1	ir: 3 13 4 2 5 3 4 2 3 1 1 2 2 2 2 1 1 1 2 1 2 1 2 1 1 1 3 3 5 2 4 2 1 2 3 1 1 2 3 5 22 15 5 6 6 2 1 1 4 4 2 0 1 1 1 0 1 3 1 11 11 1 2 2 2 1 1 1 1 2 1 1 1 1 2 3 3 1 2 4 1 2 3 5 10 8 21 49 51 12 6 10 4 2 1 2 9 2 1 1 2 3 1 1 1 2 1 1 12 2 3 1 2 2 2 10 3 4 1 1 2 1 0 1 1 1 3 5 2 1 1 1 2 8 2 1 13 15 1 1 1 1 1 1 2 23 4 4 18 6 1 2 2 3 1 1 1 1 2 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 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 3 1 1 1 1 2 1 1 1 1 1 2 2 2 1 1 2 2 1 1 2 2 3 2 1 2 0 1 7 11 11 12 26 10 1 1 3 5 97 100 6 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 m 1H \| 75 75 m 1H \| 74 74 m 2H \| 71 71 m 1H \| 70 70 d 1H J 68 \| 61 61 m 1H \| 47 47 d 1H J 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSCc1cc(Nc2ncc(F)c(-c3ccc(F)cc3F)n2)cc(C(F)(F)F)c1	ir: 2 3 1 0 1 1 1 2 1 0 1 1 6 2 2 2 3 3 20 6 2 6 16 22 10 2 0 1 3 5 4 11 28 5 0 1 2 3 4 5 2 3 1 1 1 1 1 1 2 1 5 6 19 86 77 47 11 2 8 6 1 0 1 2 2 6 14 28 18 7 2 2 1 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 4 1 4 4 7 19 4 3 14 44 17 3 1 4 11 18 19 4 1 1 4 3 3 1 1 2 1 3 3 3 1 0 1 2 2 0 2 2 1 1 14 15 5 1 1 2 0 0 1 2 3 3 7 12 19 22 5 6 9 100 16 6 3 9 4 2 4 4 8 1 1 3 17 8 36 10 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 1 1 0 1 2 2 1 1 1 1 1 1 1 15 3 11 62 10 5 4 4 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 8 50 58 10 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 1H \| 82 82 d 1H J 139 \| 78 77 m 1H \| 76 75 t 1H J 22 \| 74 74 td 1H J 10 21 \| 72 71 m 2H \| 71 70 ddd 1H J 27 84 101 \| 39 39 t 2H J 9 \| 21 21 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1c(Br)nc2c(NCc3ccc(O)c(O)c3)ncnc21	ir: 0 3 1 1 1 2 2 2 3 4 4 4 3 1 1 2 3 1 3 2 1 1 1 1 1 1 2 2 2 1 0 1 1 0 1 2 3 7 2 1 1 1 1 0 1 1 2 1 0 1 1 1 1 1 1 0 0 1 0 2 1 0 0 0 1 1 2 1 1 0 0 0 0 0 0 1 1 6 5 6 4 3 1 3 1 0 1 2 3 1 1 2 1 1 1 1 1 1 1 2 5 0 1 0 0 5 1 2 2 1 1 1 1 0 0 1 1 2 2 1 1 3 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 1 2 4 0 1 0 1 1 1 1 3 22 1 1 1 4 2 1 1 1 17 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 0 0 1 1 1 1 1 1 1 0 0 1 4 6 100 18 7 3 1 0 0 0 0 0 0 0 0 1 1 3 3 21 5 2 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; 1HNMR: 83 83 s 1H \| 83 82 t 1H J 59 \| 75 75 s 1H \| 68 67 ddt 1H J 9 16 86 \| 67 67 m 2H \| 62 62 s 1H \| 49 48 m 3H \| 17 16 d 6H J 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1CC1(c1ccccc1)c1ccccc1	ir: 0 1 1 1 0 2 2 5 2 4 1 1 1 1 2 8 9 2 2 1 1 2 4 2 1 2 7 2 2 5 4 16 39 41 25 4 4 2 10 12 40 39 15 5 7 15 17 24 10 5 10 1 3 4 3 2 1 2 1 0 1 3 2 1 1 2 2 10 25 11 1 2 3 12 35 6 6 5 8 1 2 5 2 1 2 2 0 1 7 15 2 3 9 4 1 1 8 6 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 3 14 6 6 1 5 6 3 2 2 2 2 2 3 1 3 10 53 7 1 1 3 7 14 50 29 23 9 5 7 3 4 2 12 16 3 2 2 4 2 2 2 2 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 40 1 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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 3 3 14 13 15 12 20 41 100 66 20 11 5 9 11 4 1 2 3 1 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 6H \| 73 72 m 4H \| 38 38 t 1H J 44 \| 24 23 dd 1H J 44 77 \| 21 21 dd 1H J 44 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc([C@@]23CCC[C@H]2CN(C)CC3)c1	ir: 3 1 1 1 1 2 3 2 3 0 1 0 0 1 4 1 1 1 1 1 1 2 1 1 2 4 1 0 0 1 1 0 6 3 5 0 0 1 1 0 0 1 1 0 6 0 4 39 100 34 3 3 1 2 1 1 1 5 7 1 8 7 2 2 10 3 19 11 4 5 19 6 2 6 20 5 14 4 2 6 17 4 16 3 3 16 6 2 4 1 0 8 26 3 4 6 5 4 18 2 2 2 2 1 2 7 6 3 1 2 1 2 1 1 6 3 4 2 3 5 2 1 2 3 2 2 4 5 1 7 4 9 9 1 1 2 5 3 2 3 2 5 32 3 5 1 1 1 1 0 1 1 3 6 2 1 17 10 2 2 2 5 5 2 3 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 2 1 4 3 3 1 2 3 2 2 3 11 10 16 47 20 12 13 7 7 2 1 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 1H \| 71 70 ddd 1H J 13 22 81 \| 69 69 t 1H J 21 \| 68 68 ddd 1H J 13 22 75 \| 38 38 s 2H \| 29 28 m 2H \| 27 26 m 2H \| 23 23 s 2H \| 22 21 ddd 1H J 37 64 130 \| 20 19 m 1H \| 20 19 m 2H \| 19 18 m 1H \| 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.
CCc1ccc(-c2sc(C)c(C(F)(F)F)c2CO)cc1	ir: 8 10 21 22 9 24 39 19 9 6 8 5 2 6 11 5 2 15 7 3 1 26 20 4 3 10 6 3 2 10 12 1 2 6 5 1 2 7 6 3 10 30 13 4 4 10 12 24 50 21 8 16 7 15 18 0 7 14 15 13 10 19 30 17 13 10 5 10 9 17 21 19 13 7 12 25 11 10 10 9 6 10 8 4 25 22 34 43 46 13 9 12 9 94 68 20 8 11 20 69 27 100 11 17 14 6 3 11 12 17 4 5 10 19 24 22 15 23 24 19 25 8 3 11 12 11 5 7 11 6 6 19 16 7 4 7 6 3 3 6 7 4 4 14 8 3 10 21 36 19 6 7 5 2 3 6 5 1 3 7 6 1 4 8 7 11 4 7 15 2 4 8 6 0 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 5 6 3 2 5 6 2 2 5 5 2 2 5 5 1 2 5 5 1 2 6 4 1 3 6 4 2 3 6 4 1 3 6 4 1 4 7 4 0 3 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 5 6 3 2 5 5 3 2 5 6 2 2 5 6 2 3 6 6 3 4 7 6 4 5 11 14 5 8 20 8 11 16 16 18 29 24 13 19 31 87 79 69 100 26 13 11 4 8 6 8 41 23 11 4 4 7 7 5 1 6 6 3 3 5 6 3 3 7 6 3 3 5 5 2 3 6 4 2 3 5 5 2 3 5 4 2 3 5 4 1 3 5 4 1 3 6 4 1 3 6 3 1 4 5 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 6; 1HNMR: 76 76 m 2H \| 73 73 dq 2H J 9 72 \| 49 49 d 2H J 49 \| 47 47 t 1H J 49 \| 27 26 qt 2H J 9 73 \| 24 23 s 2H \| 12 12 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC1(SC)C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	ir: 5 5 6 3 4 3 3 6 6 4 6 2 3 4 7 5 7 18 6 6 5 9 3 4 2 10 11 3 3 5 4 4 3 11 7 3 2 3 3 2 2 2 3 2 2 3 5 3 4 18 22 13 4 2 4 4 26 8 6 5 8 9 3 3 9 8 9 5 4 12 7 5 4 8 7 9 12 7 27 12 4 4 11 4 5 6 8 62 73 15 16 35 12 8 4 11 23 5 4 5 3 4 3 3 4 4 5 11 5 5 8 8 18 7 7 16 14 7 9 11 4 5 7 16 8 13 12 4 5 3 4 5 6 4 8 3 4 6 5 5 4 5 21 17 37 4 5 4 3 3 2 4 11 21 3 3 3 1 2 4 3 0 2 100 4 6 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 3 3 3 3 4 3 5 4 3 4 3 7 15 8 4 6 9 8 13 9 14 39 37 30 15 7 5 4 2 3 2 7 68 7 4 2 2 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 72 dd 1H J 38 110 \| 63 62 d 1H J 110 \| 61 61 s 1H \| 44 43 m 1H \| 27 26 m 2H \| 26 24 m 2H \| 24 23 dd 1H J 35 57 \| 23 22 m 1H \| 22 22 s 5H \| 22 21 dd 1H J 35 139 \| 21 20 ddt 1H J 34 53 72 \| 19 18 m 2H \| 17 16 m 1H \| 15 15 s 3H \| 11 10 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=NC2=Cn3c(cc4c(C5CCCCC5)cccc43)-c3cc(C(=O)O)ccc3N2C1	ir: 1 1 2 2 1 4 3 5 5 7 4 3 3 2 6 10 6 16 22 8 9 90 27 13 3 2 1 5 5 2 2 1 1 2 6 8 7 2 4 3 2 3 3 2 6 28 35 20 12 3 4 3 4 8 30 16 5 20 3 4 2 2 2 2 1 3 2 6 11 9 6 5 6 3 3 2 10 86 28 4 3 13 3 5 7 2 1 9 3 1 1 2 2 2 4 2 4 6 6 11 2 1 1 1 1 5 8 7 5 2 1 7 15 9 6 24 23 11 7 6 9 9 3 4 5 5 11 7 12 9 8 4 6 2 2 7 2 4 4 8 10 13 69 78 11 13 3 2 1 5 4 0 3 6 45 4 5 7 12 2 2 1 5 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 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 0 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 2 2 1 1 5 4 6 3 2 1 4 3 7 7 19 13 17 27 100 21 13 15 15 7 3 2 21 36 3 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 83 83 d 1H J 15 \| 80 80 s 1H \| 80 80 dd 1H J 15 77 \| 76 76 dd 1H J 14 65 \| 75 74 d 1H J 78 \| 74 73 s 1H \| 73 72 dd 1H J 66 75 \| 72 72 m 1H \| 46 46 s 2H \| 31 30 pd 1H J 7 59 \| 21 21 s 2H \| 19 18 m 2H \| 17 14 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2oc(-c3ccc(NS(C)(=O)=O)cc3)cc(=O)c2c(OC)c1OC	ir: 11 11 14 10 10 23 7 33 12 10 6 9 9 5 12 10 15 4 10 8 9 5 3 5 4 5 9 6 12 10 7 13 9 9 9 7 11 16 28 9 15 15 5 7 7 23 10 4 4 5 1 3 5 7 10 12 13 20 20 14 7 3 8 25 36 24 31 21 10 55 18 11 7 6 3 1 4 4 4 2 3 1 1 1 2 4 14 19 34 9 9 4 9 6 4 4 22 11 8 12 30 76 20 32 16 13 6 3 2 16 0 1 1 1 2 3 4 11 24 8 25 25 13 9 7 15 18 12 5 8 6 6 9 26 1 3 3 1 2 2 1 5 1 1 1 2 2 6 7 100 22 5 23 12 6 3 4 2 3 5 42 15 2 6 18 17 2 2 2 1 1 1 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 2 2 4 5 3 1 1 1 1 1 2 2 1 3 6 12 15 18 31 60 99 41 29 17 4 5 5 2 1 2 2 2 1 1 1 1 1 1 2 1 1 3 2 1 9 40 35 96 26 22 5 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H \| 72 72 m 2H \| 70 69 s 1H \| 67 67 s 1H \| 66 66 s 1H \| 40 40 s 3H \| 39 38 s 3H \| 38 38 s 3H \| 29 29 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1nc(C(=O)O)ccc1NC(=O)c1coc2c1C(=O)N(CCOC)C(C)(C)C2	ir: 0 1 4 4 3 3 3 14 2 2 4 2 5 5 4 2 1 20 9 7 4 49 67 61 13 4 7 9 12 3 10 11 3 3 7 2 6 38 66 33 25 29 32 32 5 7 4 3 5 7 4 3 10 9 19 12 15 2 3 4 13 4 3 10 4 3 7 6 3 1 2 1 4 2 9 2 2 9 41 6 3 8 2 16 6 2 6 6 8 8 8 7 8 3 2 2 6 7 2 1 1 1 1 2 2 2 2 9 2 5 9 3 3 8 10 5 14 8 7 6 11 3 2 6 4 3 4 12 4 28 9 4 5 2 1 10 24 34 14 23 15 9 30 70 10 11 2 0 9 4 2 2 4 14 51 2 1 4 2 1 1 2 3 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 1 1 1 5 3 1 2 2 2 2 6 6 16 3 7 6 11 12 4 2 1 1 2 5 11 100 8 0 2 3 0 0 2 2 1 1 3 6 31 25 9 11 3 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 94 94 s 1H \| 87 87 d 1H J 84 \| 77 76 d 1H J 84 \| 75 75 s 1H \| 43 43 q 2H J 67 \| 38 37 t 2H J 57 \| 36 36 t 2H J 57 \| 33 33 s 3H \| 30 29 s 2H \| 15 14 t 3H J 67 \| 13 13 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(N)C(=O)NOC1CCCCO1	ir: 0 3 2 2 0 2 2 1 1 2 3 1 1 3 2 1 0 3 3 3 5 5 15 8 4 5 4 4 3 3 3 3 5 5 17 13 9 3 5 3 3 3 4 4 2 4 2 2 4 4 4 4 4 9 6 7 7 15 9 4 15 1 6 8 7 10 4 5 5 5 20 21 7 9 8 20 34 18 17 9 11 9 7 3 4 5 2 1 2 1 1 2 2 2 2 1 4 2 2 2 1 1 0 2 4 2 5 5 3 4 7 3 2 5 6 8 9 3 4 6 8 7 7 9 5 3 3 16 24 25 20 21 9 25 18 11 9 4 3 3 3 1 1 5 10 29 17 11 7 5 3 1 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 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 1 3 4 3 2 3 3 3 1 2 6 6 7 9 6 2 2 1 2 1 0 1 2 1 1 2 4 3 6 21 34 30 16 20 7 7 6 24 100 49 32 14 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 89 88 s 1H \| 49 49 t 1H J 32 \| 47 46 d 2H J 59 \| 38 38 ddd 1H J 37 59 111 \| 37 36 m 2H \| 19 18 dddd 1H J 33 63 87 148 \| 18 17 m 2H \| 17 16 m 3H \| 16 15 m 1H \| 16 14 m 1H \| 15 13 m 1H \| 14 13 m 4H \| 13 12 m 1H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(C(=O)NCCC2CCN(S(N)(=O)=O)CC2)c(=O)n(C)c1=O	ir: 8 2 2 1 1 3 4 8 8 3 1 3 3 4 8 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 2 1 2 16 17 7 2 2 1 1 1 0 1 1 1 0 1 2 6 3 15 79 38 2 1 2 4 3 1 2 2 1 1 1 2 1 1 5 2 2 2 2 3 3 3 3 3 4 12 10 12 20 22 21 13 7 11 6 15 17 15 9 11 10 6 6 2 3 2 2 2 3 3 6 1 1 1 1 1 2 2 1 1 4 6 3 10 17 30 31 13 4 6 1 1 6 3 2 3 4 3 3 3 3 2 2 2 1 1 1 2 1 1 2 3 6 8 31 10 4 5 4 11 17 1 1 1 1 1 1 2 7 10 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 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 2 1 4 4 2 1 1 1 2 2 3 1 1 0 0 1 1 1 1 1 2 1 0 2 3 21 32 6 5 7 40 100 10 6 4 3 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 q 1H J 9 \| 75 75 t 1H J 52 \| 64 63 s 2H \| 35 34 d 3H J 11 \| 34 33 m 2H \| 33 33 s 3H \| 33 32 m 4H \| 19 18 dddd 2H J 53 70 95 115 \| 17 15 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NS(=O)(=O)N1CCCCC1	ir: 6 7 5 5 5 6 4 6 8 7 19 4 6 10 5 4 3 4 3 6 3 3 3 3 3 6 7 11 11 6 5 6 9 9 5 12 13 7 7 8 7 10 5 7 8 16 20 3 10 6 12 5 3 11 18 30 50 22 11 3 8 7 11 12 7 5 4 3 6 14 11 7 26 2 4 3 4 3 4 7 10 8 17 11 5 4 3 5 9 100 17 10 7 4 5 7 6 9 16 14 23 11 11 24 6 9 5 5 9 8 14 8 11 8 7 11 15 16 6 10 5 4 5 4 3 5 5 4 6 9 27 6 10 8 6 8 9 6 20 8 5 7 7 5 36 4 6 4 5 6 9 39 8 14 8 27 9 0 3 5 3 2 3 6 3 2 3 3 2 2 3 3 3 2 3 3 3 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 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 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 5 4 3 4 4 4 3 3 4 4 4 9 4 6 60 16 4 4 4 3 3 4 3 4 4 3 3 3 3 3 6 3 5 5 10 17 32 61 21 20 9 7 4 6 4 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 83 82 s 1H \| 78 78 m 2H \| 75 75 dd 1H J 68 93 \| 75 74 dd 2H J 13 81 \| 72 72 dq 2H J 9 77 \| 60 60 d 1H J 104 \| 42 41 dt 1H J 79 103 \| 37 37 s 2H \| 32 31 m 5H \| 29 29 ddt 1H J 9 79 132 \| 17 16 p 4H J 56 \| 16 15 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1ccc(C#Cc2ccccc2)cc1C(=O)O	ir: 0 1 2 1 1 1 1 1 1 1 3 2 2 5 5 3 5 17 20 51 20 16 20 11 16 3 4 2 2 1 2 3 1 1 2 7 2 2 9 21 8 3 1 1 1 1 2 2 9 2 1 2 1 1 1 12 4 0 1 1 1 1 0 3 1 1 4 6 21 4 2 1 3 8 5 16 17 15 10 9 9 5 6 2 2 2 1 1 1 1 1 1 0 0 2 1 1 0 0 0 0 0 0 0 1 1 2 4 13 2 4 4 5 1 1 2 1 2 2 2 1 2 2 2 2 1 1 4 0 1 1 1 0 3 2 4 6 2 1 1 1 2 5 3 4 4 9 37 5 3 3 32 3 0 7 2 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 2 3 4 2 9 48 15 5 3 1 1 3 1 2 22 100 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 22 \| 76 76 m 2H \| 76 75 dd 1H J 21 81 \| 74 73 m 3H \| 70 69 d 1H J 81 \| 41 41 t 2H J 54 \| 20 19 qt 2H J 53 78 \| 11 11 t 3H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2cc(-c3cnccn3)ccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O	ir: 1 1 1 1 2 1 0 12 2 7 7 6 13 18 28 10 6 8 20 12 40 10 72 100 22 13 3 8 2 1 1 1 0 3 1 14 7 2 1 1 3 1 1 0 1 1 1 1 1 2 2 0 12 12 35 30 12 8 11 9 4 3 4 3 7 5 2 2 10 11 10 18 6 5 3 10 6 18 70 6 10 9 7 6 2 8 2 2 3 3 1 1 1 7 6 4 6 6 1 5 3 2 15 5 2 1 1 8 69 6 3 2 15 1 1 1 1 2 9 7 11 11 8 12 9 5 4 2 5 5 5 3 2 1 2 1 0 3 4 9 3 4 5 30 13 9 40 5 4 4 7 15 3 2 4 4 1 1 13 1 1 0 0 0 0 0 0 0 2 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 1 0 0 1 1 4 1 1 1 1 1 1 1 0 3 5 5 8 18 6 22 42 66 15 4 4 2 2 2 3 28 76 3 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 93 d 1H J 14 \| 88 87 d 1H J 35 \| 87 87 dd 1H J 14 34 \| 86 86 t 1H J 21 \| 83 83 d 1H J 88 \| 81 81 dd 1H J 22 90 \| 78 77 dd 1H J 11 19 \| 75 75 m 2H \| 74 74 m 2H \| 56 56 s 1H \| 24 24 s 3H \| 12 12 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN([C@@H]2CC[C@@H](n3nc(I)c4c(N)ncnc43)CC2)CC1	ir: 11 6 3 18 47 14 13 9 10 4 7 4 8 6 4 11 10 16 8 17 23 2 10 10 15 10 18 28 22 32 11 15 24 21 29 28 18 11 13 11 24 11 13 9 29 48 14 7 6 8 6 13 19 18 13 41 27 23 11 5 7 6 7 0 36 1 6 9 3 3 4 11 8 9 3 3 13 11 6 24 9 3 13 11 31 19 5 2 3 3 3 4 6 4 3 4 8 10 16 5 7 12 20 36 16 20 61 69 12 18 19 38 54 100 83 75 49 36 21 22 26 17 13 28 16 15 14 18 26 25 32 18 12 6 5 2 2 8 4 2 3 3 7 22 40 8 4 7 19 37 56 15 4 6 3 0 3 12 7 15 2 2 2 1 2 3 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 2 2 2 1 1 2 2 2 1 2 3 3 6 14 16 20 41 49 28 25 21 40 21 30 40 63 100 21 27 9 6 8 5 4 3 2 4 2 3 2 3 4 3 1 47 31 7 5 5 7 7 49 45 14 3 2 2 1 3 3 3 2 2 2 1 2 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 1; 1HNMR: 84 84 s 1H \| 68 68 s 2H \| 49 48 tt 1H J 29 57 \| 28 25 m 10H \| 24 23 s 2H \| 21 20 ddt 2H J 56 79 136 \| 19 17 m 4H \| 16 15 dddd 2H J 36 54 80 116	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CNC(=O)c2ccc(F)cc2N1	ir: 6 4 3 4 4 9 9 7 11 4 4 3 3 10 16 8 7 6 6 8 10 6 3 5 6 4 4 29 9 14 27 25 8 39 21 5 36 26 11 0 100 59 35 13 13 3 5 12 7 3 5 9 5 9 16 9 16 2 4 5 4 3 4 6 4 13 23 22 18 5 4 5 3 2 4 4 3 3 4 4 3 3 4 4 3 3 5 6 3 3 5 5 5 5 9 12 4 4 4 4 2 3 4 4 3 7 6 6 23 5 4 4 3 4 5 4 4 9 20 18 11 10 5 4 3 5 5 10 58 5 6 4 10 12 6 4 3 4 5 3 4 6 9 21 7 5 5 10 49 10 13 9 9 11 24 62 56 35 7 3 4 5 13 10 5 4 4 2 3 4 3 2 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 4 2 4 5 5 3 3 5 4 2 4 6 11 12 32 18 27 8 6 6 3 3 4 4 4 3 4 5 3 4 4 5 3 5 5 6 6 10 33 79 89 18 7 12 8 6 5 4 5 4 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 81 80 dd 1H J 50 82 \| 79 78 dd 1H J 22 121 \| 75 74 t 1H J 60 \| 72 71 ddd 1H J 22 82 103 \| 40 39 d 2H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N(CC(C)C)C1NC(=O)N(c2cccs2)C(=O)N1	ir: 3 5 4 4 4 9 10 8 4 4 4 3 3 6 4 4 6 4 5 14 15 14 21 16 56 25 38 9 27 12 7 8 6 5 4 9 13 13 9 32 17 8 7 6 5 6 3 5 10 35 36 61 24 11 19 10 4 6 3 4 6 7 8 10 7 5 7 8 12 15 13 8 5 29 4 5 4 5 5 4 7 16 6 5 4 3 3 2 3 3 4 5 15 8 8 3 3 3 3 4 4 5 4 4 6 11 3 5 12 6 26 9 8 12 9 20 21 15 8 14 19 12 14 5 6 8 6 8 9 13 14 15 10 11 12 8 6 13 17 8 6 3 3 6 4 4 16 51 4 2 4 6 5 1 14 37 26 87 69 100 19 12 9 0 4 5 3 0 3 5 2 1 2 4 2 1 2 4 2 1 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 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 3 3 3 3 2 3 3 2 2 3 2 2 2 3 3 2 3 3 3 5 4 4 4 3 3 4 3 3 3 4 5 8 9 9 14 15 6 5 9 51 30 44 6 4 5 5 3 3 3 4 3 3 3 3 4 4 6 5 10 9 36 98 70 28 15 16 5 4 5 3 3 3 2 2 3 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 3 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 86 85 d 2H J 57 \| 73 73 dd 1H J 16 57 \| 72 72 dd 1H J 16 59 \| 70 70 t 1H J 57 \| 61 61 t 1H J 57 \| 32 31 d 2H J 57 \| 21 21 s 2H \| 19 18 dtt 1H J 57 70 140 \| 9 9 d 6H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CNC[C@H](NC(=O)OCc1ccccc1)C(C)C	ir: 5 17 9 2 1 2 7 4 4 5 3 3 1 1 2 2 0 1 2 3 2 2 1 1 2 2 4 7 16 12 25 17 19 8 5 4 3 22 23 13 40 27 10 14 7 15 8 15 3 2 6 2 1 2 5 5 18 5 18 5 4 8 13 3 4 8 36 2 11 5 2 3 5 5 6 4 2 3 2 2 1 1 1 1 1 1 0 1 4 8 1 2 2 2 2 2 3 14 3 6 7 5 2 4 8 5 7 7 2 7 10 12 15 49 22 20 29 9 18 9 9 10 12 6 4 2 3 5 3 3 2 6 6 3 13 11 5 6 5 5 3 8 9 13 47 59 31 19 8 100 3 4 2 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 3 3 1 1 3 5 3 2 2 2 3 6 4 11 21 9 17 33 16 8 2 1 2 2 1 1 2 3 2 1 1 1 2 2 5 3 16 53 79 27 12 20 31 41 2 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0; 1HNMR: 74 73 m 5H \| 54 53 d 1H J 91 \| 51 51 s 2H \| 42 41 q 2H J 66 \| 39 38 m 1H \| 36 34 m 3H \| 31 30 ddd 1H J 48 66 132 \| 28 27 ddd 1H J 47 66 132 \| 18 17 m 1H J 62 \| 13 12 t 3H J 66 \| 9 9 dd 3H J 15 61 \| 9 8 dd 3H J 15 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)S(=O)(=O)NC(C)N2	ir: 12 4 5 5 5 6 20 5 2 4 8 40 9 4 9 20 9 4 3 4 4 3 2 3 2 2 3 3 1 2 2 1 1 3 5 3 2 6 4 2 1 2 2 1 1 1 2 4 3 7 6 8 12 83 17 4 10 7 15 0 3 6 2 3 5 9 2 3 10 3 1 2 2 3 11 7 3 7 4 1 2 2 9 5 15 31 7 2 5 4 1 1 2 2 1 2 2 2 3 8 17 10 7 47 15 6 5 5 5 3 9 3 4 3 7 3 4 6 6 4 5 14 21 8 7 2 2 2 3 6 3 2 3 1 2 4 6 43 14 3 3 3 12 9 2 1 1 2 2 1 3 32 22 6 2 2 2 2 1 1 1 2 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 2 3 2 5 7 4 6 22 2 2 2 2 2 2 1 1 1 2 1 0 1 2 1 1 3 5 2 0 36 100 32 27 31 4 5 3 1 2 4 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 d 1H J 22 \| 71 71 d 1H J 88 \| 69 69 dd 1H J 22 88 \| 60 60 m 1H \| 50 50 m 2H \| 38 38 s 3H \| 12 11 d 3H J 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1C[C@H](CSc2cnccn2)[C@@H](O)C1	ir: 3 5 9 9 44 23 18 13 19 17 42 52 92 41 18 33 11 12 3 10 17 10 3 12 5 3 2 5 2 3 2 4 2 2 1 1 4 2 2 2 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 2 1 5 4 7 7 8 5 12 15 23 100 35 5 7 3 4 1 1 2 8 7 2 1 1 1 1 3 3 13 6 7 29 44 35 19 13 21 7 4 5 3 8 11 14 30 21 8 4 3 2 1 32 23 3 14 15 15 7 7 4 11 4 5 3 3 3 2 7 5 6 7 14 9 15 12 4 2 1 1 0 1 1 1 1 4 6 2 1 4 4 45 87 4 2 2 1 1 1 0 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 3 2 4 4 3 2 2 3 6 2 4 13 55 19 3 0 1 4 4 21 27 15 12 3 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 dd 1H J 14 34 \| 84 83 d 1H J 13 \| 83 83 d 1H J 33 \| 43 42 dddd 1H J 17 34 52 75 \| 39 38 dd 1H J 14 117 \| 38 37 m 1H \| 36 35 dddd 2H J 18 40 117 145 \| 34 33 ddd 1H J 18 66 150 \| 31 30 ddd 1H J 18 68 150 \| 30 29 d 1H J 49 \| 24 24 m 1H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2C(F)(F)F)CN1C(=O)C1(c2ncc(Cl)cc2F)CC1	ir: 5 4 6 5 6 4 5 6 7 7 8 5 4 7 8 8 4 5 10 8 7 8 11 5 5 5 5 4 5 5 5 4 5 5 5 4 4 5 5 6 8 5 7 10 6 6 7 5 4 5 4 4 4 5 5 4 4 5 4 4 5 6 6 5 5 6 9 5 5 5 4 4 5 5 4 5 5 5 5 8 7 6 5 5 5 10 5 16 5 6 5 5 5 5 6 5 5 5 13 7 11 6 7 15 11 6 6 8 13 6 5 5 8 5 5 4 5 5 5 5 5 5 4 5 5 4 5 5 4 4 4 4 5 6 8 20 8 7 5 4 5 5 5 14 5 5 4 4 13 6 5 6 8 5 4 5 4 4 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 5 15 5 4 6 7 6 9 7 5 5 4 5 7 4 0 100 14 6 7 5 3 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 80 80 m 2H \| 78 77 dp 1H J 13 106 \| 76 76 ddd 1H J 14 65 105 \| 75 74 ddd 1H J 14 66 79 \| 74 73 dd 1H J 16 121 \| 45 45 dddd 1H J 8 18 53 72 \| 43 42 dd 1H J 40 123 \| 41 40 ddd 1H J 18 59 122 \| 39 38 ddddd 1H J 8 39 57 66 84 \| 27 26 ddd 1H J 53 85 138 \| 25 24 dt 1H J 68 136 \| 17 16 m 2H \| 14 13 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccco1)Oc1ccc2c(c1)CCN2Cc1ccccc1	ir: 4 2 3 4 2 2 1 2 2 1 1 1 1 3 0 1 1 2 1 2 1 4 4 7 2 8 7 3 3 3 3 7 5 4 3 2 7 15 19 38 23 41 17 30 4 2 2 2 2 2 3 1 2 3 10 18 3 1 1 3 3 1 1 2 2 1 8 15 13 10 6 7 1 1 1 2 1 2 3 2 1 3 5 3 1 1 2 7 6 6 1 3 1 2 2 2 5 3 4 1 1 1 2 1 0 0 1 0 0 0 0 1 1 0 4 1 0 1 1 3 2 5 4 6 5 9 4 7 3 3 5 3 2 1 3 5 3 2 1 2 4 7 13 22 30 15 11 8 13 100 15 29 20 12 6 2 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 2 1 1 1 1 2 2 11 20 13 53 39 22 15 6 3 0 1 2 1 1 1 1 0 0 1 0 0 1 1 1 1 3 7 6 11 9 4 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; 1HNMR: 75 75 t 1H J 16 \| 73 72 m 5H \| 70 70 dd 1H J 21 90 \| 69 68 dt 1H J 9 20 \| 68 67 d 1H J 90 \| 65 64 t 1H J 51 \| 64 64 dd 1H J 16 50 \| 63 63 ddt 1H J 9 17 50 \| 46 46 m 4H \| 36 36 m 2H \| 30 29 td 2H J 8 40	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Br)C(=O)c1ccccc1C(F)(F)F	ir: 23 11 2 11 18 9 1 11 18 8 2 14 22 13 12 14 19 10 9 15 16 9 4 14 17 26 11 15 16 12 8 16 16 4 7 23 37 17 14 35 21 7 35 39 18 4 9 18 11 2 9 18 11 1 10 20 10 0 11 25 12 5 12 19 12 15 12 18 18 3 13 21 16 9 15 23 16 5 13 15 6 5 15 19 10 5 14 14 5 6 14 13 6 8 17 14 6 12 27 84 21 17 36 20 11 26 35 27 6 11 18 13 4 33 39 47 4 16 35 25 24 31 18 12 3 12 17 11 8 13 16 7 4 15 16 15 37 21 17 13 26 43 24 14 15 17 15 6 7 31 21 6 7 15 12 4 7 16 12 4 14 17 11 2 9 17 10 2 9 18 10 2 10 17 9 2 11 17 8 3 11 16 8 3 11 16 8 4 12 15 7 5 12 14 6 5 13 13 6 6 13 13 5 6 14 13 5 7 14 12 4 7 15 11 4 8 15 11 3 8 16 10 3 9 16 10 2 9 17 9 2 10 16 9 3 11 16 8 3 11 15 8 4 11 15 7 5 12 14 7 5 12 13 6 6 13 13 6 6 14 12 6 7 14 12 6 8 14 11 6 11 15 12 5 10 15 12 7 12 21 19 5 15 29 24 5 18 100 77 7 12 17 9 4 11 15 9 5 11 15 8 5 11 14 7 5 12 14 7 6 12 13 6 6 13 12 6 7 13 12 6 7 14 11 5 8 14 11 5 8 14 11 4 8 15 10 4 9 15 10 4 9 15 9 4 10 15 9 4 10 15 9 5 11 14 8 5 11 14 8 5 11 13 7 6 12 13 7 6 12 12 7 7 13 12 6 7 13 11 6 8 13 11 6 8 14 11 5 8 14 10 5 9 14 10 5 9 15 10 4; 1HNMR: 79 79 dd 1H J 15 72 \| 78 77 dp 1H J 14 107 \| 77 77 ddd 1H J 15 66 106 \| 75 74 m 1H \| 52 51 q 1H J 71 \| 18 17 d 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCC/C=C/C(=O)NCC1CCOCC1	ir: 2 1 1 2 6 3 4 11 1 4 1 2 2 2 2 3 2 1 0 4 17 20 14 4 7 3 1 2 2 2 2 4 5 62 100 12 17 5 5 1 6 3 3 1 1 4 3 1 2 2 2 1 2 10 3 6 5 2 7 5 2 3 8 5 16 3 5 8 5 4 4 17 3 8 4 1 3 4 5 5 10 20 13 17 4 4 2 2 1 1 1 3 3 1 9 2 1 1 3 2 3 5 6 4 6 8 12 16 21 4 2 2 1 3 2 2 3 3 10 24 16 8 7 7 4 8 3 3 1 6 13 4 3 26 16 6 3 2 2 2 1 10 9 7 7 14 52 66 29 2 1 3 2 1 1 1 1 1 2 2 4 5 15 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 5 4 5 7 6 4 4 4 5 7 11 20 40 23 13 7 3 2 2 3 2 1 1 2 1 1 2 2 1 1 2 2 2 0 6 3 3 12 52 16 75 13 8 7 2 2 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 68 67 dtt 1H J 9 56 152 \| 67 66 t 1H J 60 \| 60 59 dt 1H J 13 152 \| 37 37 ddd 2H J 29 57 110 \| 35 34 ddd 2H J 30 57 112 \| 34 33 t 2H J 55 \| 33 33 s 2H \| 32 31 dd 2H J 46 60 \| 23 22 tdd 2H J 11 56 77 \| 20 19 pt 1H J 46 62 \| 18 17 dtd 2H J 31 59 147 \| 17 15 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C1=NC(N)C(=O)Nc2ccccc21	ir: 1 1 3 1 0 2 2 2 1 3 6 7 4 4 3 2 0 3 4 2 4 4 2 1 1 3 2 1 1 2 2 1 1 3 2 1 2 4 17 5 3 5 32 8 2 3 2 0 1 3 2 2 3 4 2 0 1 2 1 0 2 2 6 14 9 4 4 3 2 3 2 2 3 4 2 8 25 12 6 4 4 3 1 1 3 3 1 1 2 2 0 1 2 2 4 2 2 2 0 1 2 2 2 2 3 2 1 3 3 2 2 2 5 5 1 1 2 1 0 2 2 3 3 2 3 4 3 9 12 8 12 10 8 4 2 2 3 4 2 2 3 6 5 4 7 2 1 2 4 2 1 4 17 6 2 3 8 1 1 2 2 4 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 1 1 2 1 1 1 2 2 1 2 3 2 1 3 4 5 8 9 3 2 1 1 2 1 1 1 2 3 2 3 5 6 3 5 7 3 2 6 100 49 11 10 3 3 3 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 1 2 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 83 83 dd 1H J 14 79 \| 81 81 s 1H \| 78 78 dd 1H J 16 78 \| 75 75 td 1H J 15 80 \| 71 71 td 1H J 14 78 \| 45 45 t 1H J 65 \| 36 36 d 2H J 64 \| 32 31 p 1H J 64 \| 12 11 dd 6H J 64 110	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-n2ccc3ccccc32)cc1	ir: 1 1 10 7 3 1 1 7 2 1 0 2 1 4 2 4 2 2 2 2 4 2 3 1 1 1 1 2 4 15 10 3 1 1 4 7 4 0 1 2 5 25 19 10 1 2 1 0 1 1 2 2 4 10 11 2 3 4 1 1 1 0 1 2 2 2 2 7 4 3 5 6 10 8 6 3 1 1 0 1 0 1 2 1 2 2 3 3 2 2 2 1 10 21 4 6 3 1 5 3 1 2 3 8 14 4 1 1 1 1 1 1 1 2 4 2 2 1 1 1 1 2 3 3 16 10 4 3 2 1 1 1 1 1 1 14 8 2 2 1 4 7 20 12 4 0 37 19 10 3 2 6 13 20 3 4 1 1 1 0 1 4 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 3 4 2 5 13 50 81 60 100 43 31 26 5 3 5 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 78 dt 1H J 9 69 \| 76 76 dd 1H J 15 65 \| 75 75 d 1H J 51 \| 74 73 m 6H \| 72 71 td 1H J 13 67 \| 68 68 m 1H \| 24 24 d 2H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1sc(SC)c(C#N)c1-c1ccc(C(C)(C)C)cc1	ir: 1 1 3 2 1 1 3 5 0 3 2 5 1 1 1 0 0 1 1 1 10 2 4 1 0 7 38 4 4 1 1 1 1 4 2 3 7 1 4 2 1 2 1 0 1 1 7 0 1 2 4 1 22 9 8 8 17 63 10 9 5 25 32 23 3 2 1 0 2 4 4 1 6 3 1 1 1 1 2 5 6 1 0 1 1 2 1 0 1 1 0 1 1 1 0 0 2 1 1 3 2 1 2 2 3 3 4 5 7 22 30 16 12 42 27 16 8 28 24 12 15 10 8 16 11 15 7 6 8 7 8 5 6 9 3 1 1 1 1 1 2 7 8 0 1 1 1 1 1 10 6 6 1 7 2 1 1 1 1 2 21 0 1 3 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 2 3 2 2 3 3 8 13 8 3 4 5 2 4 5 7 8 6 9 10 23 100 23 19 30 17 10 3 2 2 3 1 0 1 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 76 75 m 2H \| 73 73 m 2H \| 44 43 q 2H J 64 \| 27 26 s 2H \| 14 13 t 3H J 63 \| 14 13 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn(C)c(=O)[nH]c1=O	ir: 2 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 1 1 2 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 2 3 1 1 1 2 3 100 20 5 2 1 1 2 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 3 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 4 3 2 2 2 1 1 1 2 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 7 11 6 18 4 1 1 1 0 1 2 2 3 42 3 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 18 23 4 3 9 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 94 94 s 1H \| 75 75 p 1H J 14 \| 34 34 d 3H J 11 \| 18 18 d 3H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N)cc2c1NC(=O)CC2(C)C	ir: 4 8 13 26 17 8 3 4 7 3 2 5 3 3 2 4 5 3 3 3 3 3 5 3 3 3 4 5 2 5 6 22 10 5 3 3 3 2 4 5 7 3 3 3 3 3 2 3 5 3 3 7 3 3 6 3 3 2 3 3 3 2 3 5 3 4 3 9 3 2 3 4 3 2 3 3 2 2 3 3 2 12 3 2 3 2 3 2 2 2 3 2 2 2 3 4 2 2 3 3 4 4 12 3 2 2 3 3 6 3 3 4 2 3 3 3 2 3 4 3 2 3 3 5 3 3 3 3 3 4 4 3 7 6 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 8 3 2 2 3 4 27 39 23 66 8 4 2 2 5 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 3 3 3 2 3 3 3 7 8 4 3 6 6 3 3 3 3 3 2 2 2 3 2 2 2 3 2 2 3 6 13 1 4 4 4 4 27 8 1 0 10 100 13 7 0 1 4 3 1 2 4 3 1 2 3 3 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 90 89 s 1H \| 67 67 d 1H J 22 \| 65 65 d 1H J 23 \| 42 42 s 2H \| 29 28 s 2H \| 23 23 s 3H \| 14 14 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(=O)Nc2ccc(CCC#N)cc2)nn(C(C)(C)C)c1NC(=O)c1ccccc1F	ir: 2 4 13 4 1 5 8 10 6 6 8 6 5 7 6 3 4 7 8 7 3 7 7 4 4 5 6 7 9 23 15 11 36 15 20 4 5 9 7 4 11 36 79 25 9 10 12 14 27 13 7 12 8 3 15 27 8 13 16 2 7 10 6 0 6 7 4 2 7 7 3 5 9 9 4 3 9 6 3 2 5 5 4 2 6 7 5 4 5 5 2 2 6 8 4 6 6 12 5 5 6 6 4 7 20 7 1 3 6 5 2 4 7 4 1 5 7 6 4 6 9 9 1 5 8 9 7 16 22 24 12 16 13 8 15 24 10 13 5 6 10 2 3 5 6 9 5 39 28 7 6 15 63 100 21 32 20 3 3 6 9 2 4 10 5 2 4 6 4 1 3 7 3 0 4 6 3 0 4 52 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 6 3 1 3 5 3 1 4 6 3 1 4 5 3 1 4 5 2 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 1 3 5 5 3 4 5 5 3 4 6 4 2 6 5 6 8 16 15 25 58 33 26 7 3 6 9 5 2 4 6 4 1 5 6 4 2 6 6 4 4 9 10 42 27 46 36 16 8 8 5 3 4 5 5 3 3 5 4 2 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 4 2 3 5 3 1 3 5 3 1 3 5; 1HNMR: 92 92 d 2H J 33 \| 78 78 ddd 1H J 17 40 92 \| 77 77 m 2H \| 75 75 dddd 1H J 17 40 79 88 \| 73 73 td 1H J 14 88 \| 72 71 m 3H \| 29 29 tt 2H J 9 57 \| 28 27 t 2H J 57 \| 24 24 s 3H \| 17 17 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC[C@H]1CCCN(CC2CCCCC2)C1	ir: 0 6 8 4 5 6 9 5 0 3 3 4 1 2 3 1 2 4 4 1 1 4 6 5 2 3 3 2 1 2 1 1 1 2 1 1 1 3 3 1 3 2 2 2 2 3 3 1 2 11 8 7 6 5 7 8 3 4 2 3 3 9 11 2 1 3 3 3 3 2 3 5 5 3 8 5 5 6 1 7 18 100 63 9 11 20 38 92 91 50 20 20 6 12 10 8 5 5 3 7 15 4 8 14 12 6 11 12 7 8 8 22 19 11 4 9 3 4 2 2 3 1 4 4 5 4 3 2 4 2 3 3 3 2 2 2 2 5 3 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 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 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 2 1 1 2 2 2 2 4 6 4 4 6 5 3 5 8 4 7 17 8 3 2 2 2 2 1 2 3 20 23 6 3 2 1 2 1 1 1 2 2 2 1 1 2 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 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: 37 36 m 1H \| 34 33 m 2H \| 28 27 dd 1H J 37 113 \| 26 25 m 2H \| 25 24 dd 1H J 64 113 \| 24 24 d 2H J 53 \| 18 17 m 3H \| 17 13 m 12H \| 13 12 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(CBr)c(Br)c1	ir: 4 2 1 4 7 3 1 2 3 1 0 2 3 2 1 2 5 2 1 4 14 3 1 2 3 1 1 3 21 7 7 11 6 2 2 4 5 3 3 3 3 1 2 4 2 1 2 3 2 1 2 4 3 20 44 15 18 10 3 2 3 7 6 4 5 6 33 15 5 2 4 6 2 1 3 3 2 2 4 3 3 2 3 3 2 2 3 3 9 10 11 17 3 7 4 4 3 2 4 4 3 2 4 3 5 11 6 3 1 2 5 4 0 11 11 8 1 3 4 6 4 5 4 4 4 5 6 5 13 10 14 9 9 9 6 3 2 3 3 3 6 11 4 2 1 3 3 3 4 10 13 16 4 12 18 3 2 3 2 1 2 7 9 2 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 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 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 3 2 3 5 3 1 4 9 8 2 2 4 4 6 12 15 22 10 43 25 100 6 6 7 4 3 3 3 2 1 2 3 2 1 2 3 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1; 1HNMR: 74 74 d 1H J 24 \| 73 72 dd 1H J 24 68 \| 72 71 dt 1H J 9 69 \| 46 45 d 2H J 9 \| 14 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(OC)c(S(=O)(=O)N(CC(=O)O)c2nc(-c3ccc(C(C)C)cc3)cs2)c1	ir: 8 9 5 8 2 5 8 11 11 15 13 24 8 7 28 11 9 9 13 10 9 19 5 5 3 2 6 5 3 9 3 4 6 1 4 9 3 6 7 9 10 8 3 3 2 2 13 5 3 1 1 4 4 11 25 3 7 2 2 2 1 3 5 9 23 15 100 8 4 5 5 3 2 2 3 5 1 2 2 2 3 8 23 28 21 4 8 32 99 36 37 10 7 6 3 4 3 4 6 10 11 13 4 2 2 2 2 2 4 2 1 1 1 1 2 3 3 3 10 4 5 9 12 8 6 2 5 8 10 3 11 5 10 19 3 2 0 1 1 1 3 25 11 5 4 2 1 1 2 9 7 10 4 4 1 2 2 1 0 0 0 0 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 1 2 5 1 4 4 2 6 7 12 11 8 20 63 34 14 2 1 1 2 2 13 7 2 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 s 1H \| 77 76 m 2H \| 73 72 m 3H \| 71 70 m 2H \| 69 68 dd 1H J 21 85 \| 48 48 s 2H \| 40 39 s 3H \| 38 38 s 3H \| 30 29 tt 1H J 63 73 \| 13 12 d 7H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C(=COc1ccccc1)Cc1ccccc1	ir: 0 0 0 1 1 1 2 1 5 5 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 5 24 49 36 7 1 3 2 7 11 46 93 100 67 37 9 2 1 3 5 2 1 1 1 1 1 2 1 0 0 0 0 0 0 1 1 3 2 3 11 37 14 2 1 1 1 1 3 4 7 5 3 2 2 5 6 6 2 1 1 4 12 3 1 1 0 1 0 1 6 4 2 2 3 2 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 3 5 4 3 3 1 3 2 1 1 0 1 0 1 1 3 12 44 21 3 4 17 30 32 41 73 28 5 3 2 1 2 7 32 13 3 2 2 3 2 1 4 4 1 0 1 0 1 1 1 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 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 1 1 1 1 1 2 2 1 2 1 2 2 2 3 8 17 53 49 81 90 12 11 5 5 2 2 2 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 72 m 8H \| 70 69 m 2H \| 64 64 dt 1H J 13 139 \| 56 55 dt 1H J 66 141 \| 33 33 dq 2H J 9 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Br)c(C)c(C(=O)O)n1	ir: 2 2 2 2 1 2 3 2 2 3 4 4 5 9 14 8 23 50 30 26 45 68 14 9 24 6 4 2 2 1 1 2 2 2 2 2 5 10 10 5 5 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 4 3 3 2 1 2 2 2 3 4 10 4 3 6 8 10 4 8 18 24 36 25 7 23 7 7 6 10 26 16 6 3 4 5 8 2 2 1 2 1 2 2 7 2 2 2 2 1 1 2 4 7 1 2 2 2 2 3 3 3 2 5 17 12 2 2 3 2 3 4 2 2 2 2 2 2 2 3 10 29 9 3 6 34 9 2 3 3 1 2 2 4 2 6 32 4 3 2 2 2 57 4 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 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 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 1 2 2 2 3 3 4 2 2 7 4 6 9 19 3 2 2 4 2 0 5 7 18 100 39 5 5 4 1 1 2 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 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 77 76 s 1H \| 26 26 s 3H \| 26 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cnc(Oc2ccc(C3CC3)cc2)cn1	ir: 3 4 5 4 4 5 12 35 7 12 10 18 8 12 14 49 4 7 7 5 11 6 5 3 3 8 6 3 3 5 5 4 3 7 6 8 15 21 13 31 24 12 7 3 4 6 6 3 4 8 15 49 6 12 6 0 94 71 9 10 5 1 9 5 4 5 4 4 9 13 42 100 5 3 5 5 4 4 4 3 4 4 4 4 4 4 4 11 9 15 16 13 9 5 6 12 6 5 4 4 5 4 5 18 60 70 11 5 5 5 4 9 4 20 48 45 10 5 5 4 4 4 3 5 6 4 3 5 5 7 38 35 5 3 3 5 6 6 15 8 4 4 11 12 4 5 9 7 8 83 28 19 18 4 8 6 4 3 4 16 5 3 3 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 7 19 25 6 7 9 18 16 58 22 7 9 8 7 4 3 4 5 5 3 5 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4; 1HNMR: 88 88 s 1H \| 80 79 s 1H \| 72 71 m 2H \| 70 69 m 2H \| 26 25 m 1H \| 19 18 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.
O=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(Cl)cc(Br)c1O	ir: 8 4 3 3 8 4 6 4 8 17 3 3 4 3 3 4 4 5 3 3 3 3 3 3 6 5 3 3 4 3 4 6 4 3 4 4 4 3 4 8 15 11 7 5 4 3 3 3 3 3 3 4 4 4 5 16 4 3 3 3 3 3 4 3 3 4 7 30 8 4 5 3 3 3 3 3 3 3 3 3 4 4 5 13 5 4 3 4 15 10 4 4 3 9 3 3 3 3 15 13 5 3 6 4 6 3 3 3 5 16 6 3 3 4 8 3 3 4 4 4 3 3 3 3 8 4 5 12 18 4 3 3 3 3 4 6 6 11 2 4 3 3 3 3 3 3 3 4 3 3 3 3 3 5 4 3 3 4 9 41 22 3 3 16 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 4 4 3 4 11 34 10 4 4 4 3 0 8 100 5 5 3 2 4 4 3 2 3 5 4 4 4 4 5 18 7 6 3 4 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 78 77 dp 1H J 9 24 \| 76 76 d 1H J 69 \| 76 75 m 4H \| 74 74 d 1H J 22	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)N(CC(=O)c2cccnc2)C(=O)C1(C)CCc1ccccc1	ir: 6 10 3 3 4 3 4 1 3 2 2 2 2 2 2 4 2 1 1 4 4 4 3 1 1 1 1 4 3 7 4 4 9 13 7 20 7 6 8 33 100 12 17 13 20 43 21 6 3 0 2 6 2 1 2 7 5 6 2 2 3 5 10 5 2 1 6 5 2 3 5 1 2 2 2 1 2 3 9 2 2 1 1 2 2 2 3 3 2 4 3 2 1 1 2 3 1 2 3 2 3 2 2 1 1 1 2 1 1 2 2 2 2 4 15 4 2 7 14 9 10 6 9 22 10 11 6 3 3 2 5 3 2 4 12 9 7 5 6 12 6 4 9 9 7 5 6 6 9 7 2 2 2 6 10 26 8 0 1 8 9 7 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 2 3 1 2 3 5 5 13 12 18 27 25 13 6 2 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 91 91 t 1H J 17 \| 88 87 ddd 1H J 16 26 45 \| 83 83 m 1H \| 74 74 dd 1H J 49 77 \| 73 72 m 3H \| 72 71 ddt 2H J 9 17 77 \| 54 52 m 2H \| 29 29 s 2H \| 28 27 dtt 1H J 8 74 137 \| 27 26 dtt 1H J 9 75 139 \| 23 22 dt 1H J 76 136 \| 21 20 dt 1H J 75 134 \| 13 13 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN(c2ncc(Br)cn2)C2C3CCN(CC3)C2C)c(OC)c1	ir: 4 8 5 5 4 9 6 5 4 5 3 4 5 4 4 7 5 7 10 9 5 5 5 4 6 7 5 6 13 12 4 4 8 4 3 4 3 4 3 2 3 4 4 7 8 7 5 14 6 6 7 0 29 66 32 69 35 15 18 17 6 5 5 8 7 18 18 14 13 12 8 22 12 4 12 8 4 4 5 6 34 5 3 4 4 3 31 6 11 6 4 4 3 3 7 3 3 9 10 30 12 20 10 9 6 4 3 9 8 8 5 7 5 4 4 8 8 12 19 10 5 4 7 8 5 9 5 11 18 42 14 23 22 10 13 12 12 10 4 8 10 8 14 9 35 24 25 10 7 6 15 11 8 5 12 13 4 100 7 1 2 6 21 7 3 3 3 2 3 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 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 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 3 3 4 3 3 4 4 6 6 5 6 7 6 12 10 17 7 11 14 33 9 6 4 3 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 83 83 s 2H \| 72 71 dt 1H J 9 87 \| 66 65 dd 1H J 23 87 \| 65 64 d 1H J 23 \| 48 48 dd 1H J 8 171 \| 47 46 dd 1H J 8 171 \| 43 43 ddq 1H J 15 55 85 \| 38 38 d 6H J 40 \| 34 34 p 1H J 58 \| 32 31 ddd 2H J 48 74 116 \| 30 30 m 2H \| 23 22 dt 1H J 44 84 \| 20 19 ddt 2H J 46 75 121 \| 18 17 ddt 2H J 47 75 121 \| 12 12 dd 3H J 15 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(C)nc2c(O)cccc21	ir: 7 6 3 5 7 5 4 8 12 10 5 7 12 17 11 12 11 19 62 46 1 8 6 5 4 5 6 4 5 5 5 4 4 5 5 4 5 5 5 8 12 7 5 4 4 7 11 30 41 0 4 8 6 6 5 6 5 4 7 7 5 4 5 6 6 4 7 9 7 8 9 7 5 5 7 11 15 8 8 9 12 15 7 5 4 4 5 7 51 46 6 5 4 6 5 5 5 5 5 5 5 5 5 6 4 5 5 5 4 5 6 5 5 7 7 7 8 6 6 6 5 6 5 10 6 6 6 5 4 10 6 5 4 6 7 11 7 18 7 6 5 9 6 4 5 21 19 4 4 5 5 4 4 5 5 4 4 5 6 7 7 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 6 5 4 5 5 5 4 5 5 5 5 6 9 9 7 7 16 15 6 6 5 5 5 9 100 69 5 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 4 5 4 4 5 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4; 1HNMR: 91 90 s 1H \| 73 72 dd 1H J 73 88 \| 72 71 dd 1H J 13 73 \| 70 69 dd 1H J 13 88 \| 42 41 q 2H J 55 \| 25 25 s 2H \| 13 13 t 3H J 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)C(CCI)c1ccccc1	ir: 5 13 3 3 2 1 1 2 1 1 0 1 4 5 15 12 24 2 1 1 1 1 1 1 2 1 2 2 4 5 6 42 12 5 11 5 7 17 75 36 15 20 34 10 3 3 5 5 2 1 1 1 1 1 2 1 9 2 1 0 1 1 2 2 1 5 3 15 9 7 4 1 2 0 2 2 2 2 3 5 1 1 1 1 1 2 8 15 17 10 15 21 7 6 11 14 11 16 7 12 39 38 99 61 2 6 5 10 9 12 29 18 23 10 6 3 4 6 12 8 8 4 3 3 6 4 3 5 2 3 2 2 1 2 6 52 12 2 2 2 2 11 9 12 18 10 5 6 5 1 1 3 39 4 1 0 1 1 1 3 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 5 6 3 15 5 4 5 5 8 10 11 50 44 18 21 100 31 12 7 5 4 7 5 3 2 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 72 m 5H \| 35 34 m 1H \| 34 33 dt 1H J 46 106 \| 33 32 dt 1H J 46 104 \| 24 23 ddtd 1H J 23 45 89 121 \| 22 21 dddq 1H J 23 46 91 121	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1oc(-c2ccc3ccccc3c2)nc1/C=C/c1ccc(/C=C/CO)cc1	ir: 3 4 3 5 4 8 4 3 3 7 13 24 7 5 6 3 2 3 3 3 3 2 2 2 2 3 3 3 5 2 3 2 3 3 2 2 2 2 2 12 13 4 84 0 5 5 7 3 3 9 8 5 17 15 35 11 10 6 5 5 16 15 8 4 5 4 4 7 7 11 5 6 6 12 17 89 27 11 8 7 9 6 12 12 41 42 35 34 24 14 9 6 6 6 4 4 14 15 10 7 36 10 15 44 8 18 1 3 7 3 2 3 6 3 3 3 6 5 8 5 4 7 4 9 11 9 6 10 7 5 14 7 8 4 5 5 5 6 3 4 3 5 2 5 4 6 18 11 10 3 6 3 7 29 8 3 3 8 7 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 3 2 2 3 4 4 5 4 11 10 12 23 40 54 100 52 19 16 9 8 4 7 12 6 4 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 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2; 1HNMR: 86 85 t 1H J 22 \| 82 81 d 1H J 105 \| 81 81 m 2H \| 80 79 dt 1H J 9 81 \| 76 74 m 7H \| 72 72 d 1H J 153 \| 67 66 m 1H \| 63 62 dt 1H J 41 156 \| 43 43 ddd 2H J 13 40 55 \| 34 34 t 1H J 57 \| 25 25 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccccc2)cc1	ir: 19 11 5 3 1 6 6 4 1 2 4 3 1 2 7 2 1 3 4 2 8 3 3 1 1 3 3 1 5 8 5 6 4 5 59 12 9 10 14 33 17 81 7 4 5 6 5 7 30 4 4 1 3 13 21 18 7 3 3 7 10 6 3 48 8 2 7 1 14 13 4 1 2 3 4 2 20 4 4 2 3 2 3 3 3 2 2 9 6 29 3 3 2 5 16 3 4 7 9 92 40 11 4 4 3 2 18 15 2 3 1 3 5 3 6 28 31 6 2 7 12 7 12 6 7 4 3 4 3 2 2 2 5 16 17 30 11 3 4 0 2 12 16 100 8 3 2 3 19 8 20 10 17 4 2 4 3 0 4 4 1 0 1 3 2 1 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 1 0 0 2 1 0 1 2 1 1 1 2 2 1 1 2 2 0 2 3 3 3 3 6 4 10 16 35 39 99 80 20 9 11 3 6 3 6 3 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 82 81 dd 1H J 13 75 \| 79 79 dp 1H J 13 113 \| 75 75 dd 1H J 75 114 \| 73 72 m 5H \| 72 71 ddt 2H J 8 25 57 \| 69 68 m 2H \| 55 55 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.
CS(=O)(=O)c1cc(C(=O)O)ccc1F	ir: 10 5 0 8 12 7 5 15 11 7 21 54 10 6 6 7 10 5 7 11 20 45 71 72 16 5 5 8 8 3 3 8 8 3 8 11 23 15 13 14 7 1 4 9 7 1 5 10 6 0 5 12 12 32 24 23 8 0 6 10 5 1 5 12 9 100 88 16 6 3 9 9 5 2 7 10 36 41 17 45 20 4 25 26 5 73 29 71 7 6 10 9 21 5 8 7 6 16 8 6 2 5 9 7 7 18 25 11 1 5 10 5 1 7 37 11 40 9 12 9 7 18 10 5 2 7 14 8 2 7 9 4 3 7 8 4 3 7 10 23 32 46 18 6 7 10 8 5 4 11 17 5 7 9 7 4 12 9 6 1 4 9 8 2 4 9 6 1 5 9 5 1 5 9 5 1 5 9 4 1 6 8 4 2 6 8 4 2 6 8 4 2 7 7 3 3 7 7 3 3 7 7 3 4 7 7 2 3 8 6 2 4 8 6 2 4 8 6 2 4 8 5 1 5 9 5 1 5 9 5 1 5 8 5 1 5 8 4 2 6 8 4 2 6 8 4 2 6 7 3 3 7 7 3 3 7 7 3 3 7 7 3 4 8 7 3 4 8 7 3 6 9 6 2 4 8 6 2 5 9 6 2 25 19 12 11 15 28 40 5 5 9 5 2 6 10 35 20 15 8 5 3 6 8 4 3 6 7 4 3 6 7 3 3 7 6 3 3 7 6 3 4 7 6 3 4 7 6 2 4 7 5 2 4 8 5 2 5 8 5 2 5 8 5 2 5 8 5 2 5 8 4 2 5 7 4 3 6 7 4 3 6 7 4 3 6 7 4 3 6 6 3 3 6 6 3 4 7 6 3 4 7 6 3 4 7 6 3 4 7 5 2 5 7 5 2 5 8 5 2; 1HNMR: 83 83 dd 1H J 21 35 \| 81 80 ddd 1H J 22 39 82 \| 75 74 dd 1H J 83 102 \| 33 33 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(c3c1NC(=O)CC3)OC(CNC#N)C2	ir: 0 4 8 5 0 5 7 4 3 6 10 6 1 5 8 2 4 5 8 4 6 10 11 18 9 6 4 6 6 5 12 9 12 13 7 8 8 43 17 42 16 28 14 18 13 9 5 0 5 12 10 7 6 9 7 1 4 7 4 2 5 10 3 4 9 9 6 8 7 13 4 4 6 8 2 2 5 6 2 2 7 7 5 1 5 5 1 1 6 5 2 2 6 7 7 6 6 5 2 5 17 9 4 4 9 5 2 4 8 5 7 8 35 11 21 19 19 29 23 11 11 15 1 24 18 15 13 13 23 4 16 6 8 11 10 14 7 3 2 6 5 1 1 5 5 1 2 6 10 16 50 14 5 1 2 6 6 100 57 15 11 12 4 4 4 2 3 5 3 1 3 5 3 0 3 5 3 1 3 5 3 1 4 6 6 3 4 5 2 1 4 5 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 4 1 2 5 4 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 0 3 5 3 1 3 5 3 1 3 5 2 1 4 5 2 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 1 2 5 4 2 3 5 4 1 3 6 7 4 6 5 5 2 4 8 7 11 13 7 16 11 14 14 4 1 4 6 4 4 4 5 3 2 4 7 7 7 8 10 54 62 34 13 35 40 67 12 11 5 6 5 3 4 7 6 2 3 5 4 2 3 5 3 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1 3 5; 1HNMR: 92 92 s 1H \| 71 70 m 1H \| 55 55 t 1H J 49 \| 49 48 tt 1H J 16 35 \| 39 38 ddd 1H J 18 51 128 \| 36 35 ddd 1H J 17 50 128 \| 32 32 ddd 1H J 8 37 150 \| 31 31 m 2H \| 30 30 ddd 1H J 9 38 152 \| 28 27 m 2H \| 22 22 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1cc(C(C)C)c(OC)c(C(C)C)c1	ir: 2 1 1 3 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 4 1 2 1 1 1 1 1 1 1 2 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 6 6 1 2 6 7 4 3 2 1 1 2 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 3 6 3 1 1 1 1 2 2 2 4 2 3 2 5 5 2 3 3 2 1 1 1 1 1 1 1 1 4 4 6 6 5 2 1 2 2 1 2 2 3 2 1 1 1 1 1 1 1 5 5 3 3 1 26 3 3 2 2 1 1 1 1 1 1 1 1 1 1 0 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 1 2 3 3 7 12 5 3 100 4 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 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 71 70 q 2H J 7 \| 38 37 s 3H \| 37 36 s 3H \| 36 36 d 2H J 9 \| 32 31 heptd 2H J 9 71 \| 12 12 d 12H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)NC(=CC#N)c1ccc(Cl)cc1Cl	ir: 2 2 3 2 1 1 2 2 4 1 2 2 1 1 1 1 3 1 1 1 0 1 1 1 1 2 2 0 1 1 1 0 1 2 2 1 1 4 3 1 2 2 2 2 2 11 8 4 10 5 4 1 1 2 10 1 3 2 1 1 2 4 19 2 2 2 1 10 1 1 1 1 3 2 3 1 1 2 1 0 1 1 1 2 4 2 1 2 22 3 0 0 1 1 0 0 1 2 1 1 1 1 1 3 2 1 7 1 1 1 0 1 2 3 3 2 1 1 1 2 2 1 0 1 2 1 0 2 2 2 0 1 1 1 1 1 1 1 1 5 13 1 1 1 2 1 12 40 10 1 10 4 2 2 2 5 1 1 1 2 1 1 4 3 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 3 3 5 28 4 2 3 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 4 4 7 100 23 1 1 2 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 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: 76 75 d 1H J 83 \| 74 74 d 1H J 21 \| 73 72 dd 1H J 21 83 \| 70 70 s 1H \| 50 50 s 1H \| 43 42 q 2H J 63 \| 13 12 t 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CC(O)(Cn1cncn1)C(C)(C)C	ir: 3 2 3 2 1 2 1 3 3 3 6 2 1 2 1 1 1 5 8 9 3 2 3 4 5 2 2 1 1 2 2 13 12 7 3 4 10 15 3 6 3 2 2 1 7 1 27 17 5 5 7 3 2 2 2 1 8 9 3 3 2 7 18 13 4 2 17 4 1 1 12 9 7 11 12 15 24 17 32 29 23 16 4 3 3 3 1 3 4 5 3 6 4 4 14 7 6 5 7 9 6 3 1 3 2 2 4 8 6 2 6 5 6 3 5 4 4 4 5 5 13 13 16 8 8 6 1 2 4 7 18 23 22 11 3 3 3 1 1 2 1 1 1 1 2 0 1 2 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 4 5 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 8 5 4 1 2 2 2 2 4 6 4 4 10 36 53 36 8 8 18 90 100 12 5 5 2 5 8 2 1 0 1 2 1 4 4 2 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 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: 82 82 dt 1H J 9 16 \| 78 78 d 1H J 16 \| 44 43 dd 1H J 8 147 \| 42 41 dd 1H J 9 148 \| 35 35 s 1H \| 29 28 s 1H \| 11 11 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(CC1CCCC1)n1ncc(Oc2ccccc2)cc1=O	ir: 1 1 1 1 2 2 2 3 5 14 6 3 9 5 2 4 5 8 5 19 37 65 14 3 2 3 3 4 5 4 2 5 2 3 3 6 2 3 3 4 2 6 13 5 3 5 2 1 2 2 1 0 1 2 1 1 2 3 2 0 1 2 1 1 3 6 4 18 25 3 3 2 2 4 2 3 4 36 85 14 2 2 2 6 4 3 2 3 2 1 1 2 5 10 1 1 4 2 2 1 2 2 1 1 2 2 3 2 2 8 5 3 4 6 2 2 2 4 5 5 6 3 3 3 2 2 6 7 8 3 2 4 1 1 2 8 2 1 1 2 2 2 11 45 19 5 2 1 1 1 1 4 2 1 2 2 2 1 1 1 1 4 35 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 3 1 2 4 4 3 1 3 4 3 7 34 9 31 10 2 2 2 1 1 3 100 7 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 77 d 1H J 13 \| 74 73 m 3H \| 71 70 m 2H \| 63 63 d 1H J 13 \| 44 43 m 1H \| 20 19 m 1H \| 18 17 m 2H \| 16 15 m 4H \| 15 14 m 2H \| 14 13 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1Cl	ir: 2 2 3 4 2 4 6 9 1 4 6 5 3 4 4 3 1 1 1 1 1 1 1 1 1 3 7 4 2 2 4 8 8 23 3 3 2 5 4 20 18 100 15 5 3 4 1 3 2 2 2 1 3 2 7 36 5 4 2 0 3 2 1 2 1 1 1 6 1 9 1 5 3 3 5 10 6 7 3 14 30 1 7 8 3 2 1 4 21 15 3 1 1 1 2 3 2 2 3 2 1 1 2 2 1 1 3 2 3 2 1 1 1 4 3 3 4 6 6 4 2 5 11 3 4 8 9 6 11 3 1 2 1 2 10 7 11 4 3 1 2 2 2 9 9 14 22 4 21 2 2 13 5 3 3 2 1 1 1 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 1 2 2 1 1 1 1 2 1 2 3 2 1 4 7 2 2 7 3 3 7 96 6 2 3 2 3 2 11 95 9 2 2 1 2 1 1 1 1 1 2 2 3 3 10 6 50 3 5 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 77 77 m 1H \| 75 74 m 3H \| 70 69 m 3H \| 68 67 m 2H \| 65 65 s 1H \| 47 47 dt 1H J 71 93 \| 42 41 m 2H \| 33 32 ddt 1H J 9 71 143 \| 30 30 ddt 1H J 9 73 143 \| 13 12 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)(C)N1	ir: 6 5 2 3 5 3 9 3 15 5 2 1 2 3 4 4 3 2 2 10 6 16 18 14 3 6 3 3 6 3 10 3 31 53 50 9 9 7 6 20 74 24 10 13 5 2 1 3 1 1 4 3 1 1 2 1 1 1 1 2 5 2 3 5 3 6 9 6 3 2 3 2 1 1 2 6 8 3 3 6 9 53 15 9 16 9 6 11 8 5 1 4 5 2 2 2 1 1 1 2 4 4 14 9 3 3 3 2 5 5 2 5 5 5 4 4 7 6 5 12 9 10 12 6 11 33 6 27 13 9 12 12 16 7 18 31 100 18 8 5 3 7 10 14 12 14 54 75 18 23 22 6 5 2 1 0 1 1 1 0 0 0 0 0 1 1 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 4 3 1 1 1 2 3 2 1 2 2 2 6 19 26 15 7 8 14 3 2 0 2 4 2 18 63 1 4 4 5 1 7 18 16 24 21 28 9 15 20 18 49 37 7 4 6 5 2 1 1 1 0 1 1 1 1 0 0 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 s 2H \| 70 70 d 1H J 66 \| 60 60 s 1H \| 40 39 dp 1H J 48 68 \| 19 18 dd 2H J 48 137 \| 16 15 dd 3H J 47 136 \| 15 15 s 1H \| 14 14 s 17H \| 13 13 s 6H \| 12 11 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(=CCN)CC(C)(C)N1	ir: 2 4 4 5 10 11 3 3 2 2 3 3 4 2 3 1 2 5 5 4 4 1 1 2 1 2 2 2 3 1 1 1 2 1 1 2 2 2 7 13 7 3 3 2 11 21 27 7 72 82 7 4 3 2 5 5 15 14 9 21 5 9 10 8 10 6 10 20 35 72 14 1 6 100 70 13 8 1 3 5 12 11 6 6 2 3 8 5 1 2 4 3 1 2 6 3 2 2 5 6 6 6 7 2 2 3 8 3 2 2 2 2 0 3 5 5 4 6 25 30 22 13 5 10 10 20 35 11 20 19 12 69 60 36 15 7 9 5 5 3 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 4 2 2 3 3 3 2 2 2 2 0 3 12 16 7 8 5 2 1 2 2 2 1 2 3 3 3 4 4 6 19 28 25 14 15 45 69 35 65 61 6 5 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 53 53 tp 1H J 9 19 \| 34 33 tdt 2H J 10 20 65 \| 30 30 t 2H J 66 \| 23 22 s 1H \| 22 21 q 5H J 10 \| 13 12 s 11H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc(Nc2nc3c(cc(C(=O)N(C4CC4)C4CC4)n3CC)c3c2ncn3C)sc1C(=O)O	ir: 42 10 20 17 13 11 2 5 4 6 9 7 6 3 3 7 5 6 12 9 2 5 4 3 3 6 3 10 3 4 4 4 4 14 18 25 48 27 29 76 35 17 16 68 22 14 7 5 4 6 30 24 13 15 25 24 29 15 15 16 4 4 7 14 8 15 9 5 15 9 8 5 11 14 13 4 4 7 5 1 10 16 15 20 81 13 16 27 30 18 34 19 11 11 4 5 6 8 4 10 14 8 11 21 33 19 5 9 12 5 8 19 14 26 61 29 23 100 22 30 25 16 39 24 25 28 68 14 12 17 11 10 6 9 10 18 12 7 3 5 6 6 5 18 48 20 17 15 18 33 8 47 22 6 9 10 8 10 8 2 1 3 4 6 3 4 2 1 36 6 0 1 1 1 0 1 1 1 1 1 0 0 1 1 0 0 1 0 1 0 0 1 1 0 0 1 0 1 0 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 0 0 0 1 1 0 1 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 1 0 1 0 1 1 1 0 1 1 0 1 0 1 1 1 3 4 2 3 8 8 6 6 5 5 8 11 10 9 11 16 35 50 20 88 67 27 59 61 61 94 38 17 8 15 52 14 8 4 5 4 7 5 2 5 8 27 38 4 1 2 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 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 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; 1HNMR: 95 95 s 1H \| 80 79 d 1H J 9 \| 78 77 s 1H \| 44 44 q 2H J 58 \| 40 39 s 2H \| 34 34 p 2H J 61 \| 29 28 q 2H J 69 \| 14 14 t 3H J 59 \| 14 13 t 3H J 69 \| 9 8 m 4H \| 6 6 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1	ir: 9 19 7 14 5 4 3 4 5 7 14 6 7 5 6 6 3 2 2 2 5 5 1 3 3 2 2 1 2 3 2 1 2 3 4 1 1 2 2 1 1 2 1 1 2 3 2 0 1 4 6 4 14 100 27 18 14 2 6 4 2 0 2 4 1 4 5 12 16 12 2 2 5 8 12 9 6 2 2 7 29 23 13 16 12 14 14 7 5 20 24 35 21 31 26 9 8 7 6 7 3 4 6 9 3 3 2 1 1 1 0 1 1 2 5 2 2 6 6 7 7 8 5 3 2 3 7 7 4 2 5 3 3 4 2 4 1 0 1 1 2 3 4 23 9 15 7 3 6 11 3 2 4 6 2 0 1 0 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 2 2 1 3 1 1 1 1 3 2 10 10 13 20 94 36 11 9 12 3 2 5 6 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 4H \| 74 74 dd 1H J 23 91 \| 73 73 dt 1H J 8 20 \| 68 68 d 1H J 91 \| 51 51 d 0H J 17 \| 51 51 s 2H \| 44 43 s 1H \| 37 37 m 5H \| 30 29 ddd 2H J 38 66 126 \| 28 27 ddd 2H J 38 66 126 \| 23 22 ddd 2H J 38 66 134 \| 20 19 ddd 2H J 38 66 134	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(NS(=O)(=O)CCCCl)c(C)c1	ir: 25 7 7 6 12 14 10 24 10 5 6 6 5 4 7 7 9 6 4 9 6 3 5 6 3 4 5 5 6 3 8 7 10 4 7 7 7 10 6 13 10 10 12 18 8 2 6 4 3 4 2 7 5 5 4 21 23 30 17 9 9 8 9 4 3 4 4 2 10 26 7 6 2 1 1 1 2 3 2 3 3 4 2 3 13 10 57 68 13 6 2 3 3 6 8 5 8 30 100 34 6 5 4 11 19 10 5 4 4 2 15 7 4 7 9 30 67 12 19 16 20 11 8 15 7 28 35 9 6 5 3 3 3 3 1 1 1 1 0 1 2 1 1 7 13 38 42 16 6 8 7 36 12 2 4 6 2 1 1 0 1 1 2 10 12 0 0 1 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 1 0 0 0 1 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 6 3 5 2 2 3 3 1 8 13 34 28 38 30 38 11 5 3 2 3 1 1 1 2 1 0 1 1 1 0 1 1 1 1 2 3 3 4 12 24 43 75 21 18 4 2 2 2 1 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1; 1HNMR: 79 78 m 1H \| 78 77 dd 1H J 22 86 \| 71 71 d 1H J 86 \| 70 69 s 1H \| 39 39 s 3H \| 37 37 t 2H J 44 \| 32 31 t 2H J 91 \| 24 23 s 3H \| 22 22 tt 2H J 44 89	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](O)C(=O)Nc1cnc2ccsc2c1NC1CCN(C(=O)OC(C)(C)C)CC1F	ir: 5 2 9 5 21 13 4 3 4 8 13 8 2 15 33 13 5 4 3 3 2 5 4 3 5 5 5 10 9 9 16 37 7 6 3 9 10 12 36 9 21 31 5 19 11 4 1 3 2 3 1 4 7 2 2 1 2 5 10 6 5 5 2 1 1 2 2 3 2 3 3 4 3 2 2 2 2 1 5 1 2 1 1 2 3 4 2 14 42 78 10 16 4 2 4 2 2 1 4 13 6 2 2 2 3 2 4 5 26 13 8 4 4 6 8 7 11 10 17 8 4 6 16 35 9 5 3 3 5 8 8 4 13 8 3 3 5 5 7 25 4 3 1 2 4 12 4 11 42 5 15 100 3 7 6 3 1 1 1 0 10 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 1 0 0 0 0 0 1 1 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 1 1 1 1 0 1 0 1 0 0 0 1 1 1 1 1 2 1 1 1 1 2 1 1 2 3 3 3 4 3 7 5 2 4 3 14 16 6 3 3 10 75 8 2 1 1 1 2 1 2 2 6 4 5 4 4 15 36 89 44 8 8 8 3 3 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 s 1H \| 87 87 s 1H \| 75 75 d 1H J 55 \| 74 74 d 1H J 53 \| 63 62 dd 1H J 38 82 \| 49 49 q 1H J 35 \| 48 47 m 2H \| 44 43 qd 1H J 48 61 \| 39 37 m 4H \| 36 35 ddd 1H J 35 137 171 \| 35 34 ddd 1H J 70 97 130 \| 22 21 ddddd 1H J 33 49 69 99 130 \| 20 19 m 1H \| 15 14 s 7H \| 14 14 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCn1c(CCCc2ccc(O)cc2)nn(Cc2ccc(C)cc2)c1=O	ir: 2 2 2 1 1 1 4 3 3 2 1 2 2 2 3 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 0 1 5 1 2 2 2 2 9 9 3 1 1 1 2 2 2 1 1 6 3 2 9 13 6 2 1 1 1 2 1 1 1 1 0 0 1 15 1 1 1 0 1 1 1 1 2 12 8 15 5 1 1 1 2 4 17 5 1 2 1 2 1 8 2 1 2 1 0 1 0 0 1 0 4 1 1 3 2 1 1 1 3 2 2 4 2 2 2 3 1 1 2 3 4 2 1 1 1 5 2 1 0 1 2 2 1 1 0 1 0 1 1 2 6 42 10 5 2 2 10 1 1 2 39 3 1 1 0 1 1 0 0 1 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 3 2 3 5 2 2 2 2 2 2 2 2 1 1 1 2 1 3 5 8 14 18 10 3 4 4 6 8 8 78 100 14 4 4 2 1 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 1 1 1 1 1 4 2 2 1 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 dt 2H J 9 79 \| 72 71 m 2H \| 71 70 dq 2H J 9 81 \| 67 67 m 2H \| 65 65 s 1H \| 52 52 t 2H J 8 \| 38 38 t 2H J 67 \| 27 27 tt 2H J 8 78 \| 26 26 t 2H J 79 \| 24 23 d 3H J 8 \| 19 18 p 2H J 79 \| 18 16 qt 2H J 67 78 \| 10 10 t 3H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(O)(CC)COc1cccc(CCCN2C(=O)c3ccccc3C2=O)c1	ir: 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 2 1 1 2 2 5 4 1 1 1 1 1 3 4 3 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 3 2 2 1 1 1 1 1 3 4 5 2 2 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 3 2 1 1 1 1 1 1 3 2 2 1 1 1 1 1 1 1 1 2 2 8 3 5 1 2 2 2 2 1 1 2 1 3 3 2 1 1 2 8 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 9 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 8 5 2 2 2 1 0 11 100 14 4 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 dd 2H J 31 51 \| 77 77 dd 2H J 31 51 \| 72 72 t 1H J 80 \| 69 69 ddd 1H J 12 22 82 \| 69 68 ddq 1H J 9 20 77 \| 67 66 dq 1H J 10 21 \| 40 40 s 2H \| 38 38 s 1H \| 37 36 t 2H J 60 \| 27 26 tt 2H J 10 76 \| 21 20 tt 2H J 60 77 \| 18 17 dq 2H J 71 141 \| 15 14 dq 2H J 72 143 \| 9 9 t 6H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccccc1OCCCCl	ir: 5 2 21 11 8 4 4 9 3 3 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 3 8 54 58 7 0 2 2 3 1 1 2 1 1 1 2 1 1 1 2 1 0 1 1 2 2 1 3 3 2 2 1 1 1 4 3 3 2 2 1 1 1 1 1 1 2 5 7 1 1 1 1 1 1 1 1 4 4 3 2 4 5 4 3 2 2 2 1 1 1 1 1 1 2 2 2 1 3 7 3 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 2 2 2 5 3 2 4 20 11 15 44 16 2 1 8 12 2 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2 1 1 3 4 5 1 5 17 8 3 1 2 1 1 1 1 1 1 1 1 1 1 1 2 4 50 62 4 1 1 2 1 1 1 2 5 6 43 100 15 10 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 68 67 m 3H \| 67 66 m 1H \| 41 40 t 2H J 49 \| 38 37 t 2H J 38 \| 37 37 s 2H \| 22 21 tt 2H J 38 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)c1ccc(CNc2ccc(F)cc2)cn1	ir: 2 6 4 19 21 32 26 44 22 16 24 9 1 8 6 4 0 3 5 3 4 5 4 1 1 3 2 2 1 4 4 1 2 24 16 22 10 19 5 18 4 3 2 1 1 4 3 2 9 5 8 18 38 35 83 28 33 18 8 12 2 2 2 2 3 4 2 3 4 13 11 6 3 3 2 5 8 3 3 2 3 3 5 5 6 7 4 5 10 5 2 3 5 3 3 4 3 5 3 6 6 7 3 7 27 16 7 2 2 2 1 2 6 4 4 4 7 5 9 4 4 4 8 7 8 12 7 3 2 2 3 4 9 7 6 5 5 12 33 35 18 15 14 11 4 1 4 5 35 100 16 13 7 12 12 3 2 2 2 1 17 75 25 9 2 3 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 2 1 1 1 1 2 2 1 1 1 1 1 1 2 2 2 2 4 8 6 10 18 25 49 15 12 6 7 6 2 3 2 2 1 1 2 2 1 2 3 3 3 5 5 4 4 39 78 22 38 16 3 4 3 0 1 3 2 1 1 3 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 1 1 0 1 1 1 0 1 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 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 81 dt 1H J 10 20 \| 74 74 ddt 1H J 9 19 87 \| 70 69 m 2H \| 69 69 m 2H \| 67 66 d 1H J 87 \| 51 50 t 1H J 62 \| 47 46 dt 2H J 9 62 \| 34 33 q 4H J 74 \| 12 11 t 6H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2N1	ir: 2 1 1 4 1 2 11 1 2 5 1 0 6 2 2 2 3 1 1 14 6 2 4 1 1 1 0 2 2 4 26 14 3 2 7 3 4 4 9 18 69 42 8 4 10 3 3 0 1 1 7 1 2 1 7 45 18 8 2 6 0 1 8 0 3 5 2 2 7 16 3 1 1 1 0 1 1 6 3 10 12 2 2 2 18 3 2 12 6 11 1 7 1 3 7 1 2 7 23 8 2 1 3 2 1 2 1 2 3 1 1 2 2 5 2 9 2 1 5 8 5 7 3 3 27 1 2 1 2 11 10 4 36 5 3 30 7 0 0 1 2 2 9 17 3 2 29 7 7 6 12 17 7 2 29 19 17 4 2 3 1 0 0 22 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 2 2 4 1 1 1 1 1 2 16 9 15 15 46 23 5 4 2 1 1 2 2 1 1 1 0 1 1 0 0 1 2 2 5 9 2 1 19 100 6 4 4 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 s 1H \| 78 78 dt 1H J 9 19 \| 78 78 dd 1H J 19 87 \| 73 72 m 5H \| 71 70 d 1H J 87 \| 38 37 dt 2H J 44 114 \| 37 36 d 2H J 8 \| 35 34 dt 2H J 44 114 \| 29 29 m 2H \| 28 28 t 4H J 44 \| 27 27 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC(=O)NN	ir: 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 6 11 4 1 1 1 1 1 3 7 4 2 1 3 5 4 1 1 2 2 2 1 5 3 0 0 1 0 0 1 2 4 3 11 26 30 9 10 4 2 1 1 0 0 0 0 0 1 0 0 2 3 1 3 10 17 5 2 3 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 2 2 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 2 1 5 32 17 4 1 0 0 0 1 0 0 0 1 17 11 3 1 4 10 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 1 1 1 2 2 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 1 1 6 3 2 1 1 1 2 25 100 29 4 1 1 1 0 0 0 0 1 0 0 0 1 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 0 0; 1HNMR: 75 75 t 1H J 38 \| 40 40 d 2H J 38 \| 23 23 d 2H J 74 \| 21 20 m 1H \| 10 9 d 6H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(CCN2CCCC2)cc1	ir: 16 9 2 7 12 6 0 7 14 21 11 15 12 5 1 8 12 5 3 9 11 4 3 13 17 18 6 10 10 3 3 10 11 7 10 14 15 8 11 11 9 2 6 15 8 3 7 15 9 1 6 13 9 3 30 35 43 26 11 16 11 3 9 15 12 11 19 20 10 19 11 12 5 2 8 13 7 16 37 17 12 6 12 14 8 13 13 33 34 10 16 17 12 17 19 13 13 14 16 16 5 6 13 10 10 24 43 25 6 7 15 10 6 10 13 8 1 8 13 12 8 13 15 11 17 19 24 6 4 9 10 5 2 8 10 6 3 8 9 4 3 9 11 6 5 40 53 36 22 11 8 14 4 22 8 3 7 10 7 2 5 10 7 2 5 11 6 1 5 11 6 1 6 11 6 1 6 10 5 2 7 10 9 2 7 10 4 2 7 10 4 3 8 9 4 3 8 9 3 3 8 8 3 4 9 8 3 4 9 7 2 4 9 7 2 5 10 7 2 5 10 6 1 5 10 6 1 6 11 6 1 6 10 6 2 6 10 5 2 7 10 5 2 7 9 4 3 7 9 4 3 8 9 4 3 8 8 3 4 9 8 3 5 10 8 3 5 9 7 3 5 10 9 3 6 14 8 6 7 12 8 3 8 19 17 26 89 100 43 14 17 16 10 4 8 9 6 4 8 9 5 3 7 9 5 3 7 8 4 4 7 8 4 4 8 8 4 4 8 7 3 4 8 7 3 5 9 7 3 5 9 7 3 5 9 6 2 5 9 6 2 6 10 6 2 6 9 5 2 6 9 5 3 6 9 5 3 7 8 5 3 7 8 4 4 7 8 4 4 7 8 4 4 8 7 4 4 8 7 4 5 8 7 3 5 8 7 3 5 9 6 3 5 9 6 3 6 9 6 2; 1HNMR: 76 75 m 2H \| 73 72 dt 2H J 9 81 \| 28 28 m 5H \| 28 27 m 3H \| 19 18 p 4H J 20	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CN1CCC(Cc2ccc(F)cc2)CC1)Nc1cccc(NCc2ccccc2)c1	ir: 2 5 3 5 3 3 9 5 7 6 5 1 2 2 6 2 7 8 5 2 1 1 1 1 1 2 2 4 5 5 4 5 5 6 5 11 11 5 2 7 9 4 3 2 2 5 7 21 9 3 1 2 2 8 9 22 5 2 2 2 2 1 0 0 2 4 2 11 11 3 1 1 1 0 0 0 0 1 1 1 1 7 4 1 1 6 4 1 1 1 1 2 3 6 2 2 1 3 7 3 3 2 3 9 2 2 2 8 4 2 1 1 0 0 1 0 1 2 1 3 2 1 2 2 3 2 2 1 1 1 3 1 1 1 2 2 2 2 5 7 4 26 5 10 9 5 6 20 11 6 1 2 3 4 2 0 1 18 5 2 1 2 2 23 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 2 5 5 15 18 11 6 3 1 2 2 2 1 1 1 1 0 0 1 1 1 1 0 2 2 2 2 10 23 100 10 4 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H \| 74 73 m 3H \| 73 72 m 4H \| 72 72 ddt 2H J 9 35 79 \| 70 70 m 2H \| 69 69 t 1H J 21 \| 66 66 ddd 1H J 11 21 77 \| 51 50 t 1H J 53 \| 44 43 dt 2H J 9 54 \| 32 32 s 2H \| 29 28 m 2H \| 27 26 m 2H \| 26 26 dt 2H J 9 70 \| 19 18 m 3H \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NCCCc2c1c1cccc3c1n2CCC3	ir: 4 3 1 2 4 4 3 4 4 3 3 10 5 4 2 6 7 3 6 5 7 2 1 6 6 4 4 20 30 4 3 4 10 7 8 10 30 17 4 8 9 0 30 100 81 10 46 54 98 6 12 12 15 2 4 6 2 1 5 8 4 1 3 5 3 2 5 9 3 3 5 5 3 2 3 5 3 10 9 5 40 18 4 3 3 3 3 3 2 3 5 9 7 6 8 5 1 2 7 4 3 2 5 4 2 5 9 34 9 4 5 13 29 15 15 17 3 11 29 29 7 10 7 10 11 10 5 3 3 7 11 27 22 3 2 4 4 12 14 26 31 29 12 19 24 9 31 10 5 7 6 3 2 4 3 16 15 24 11 17 18 8 5 3 3 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 3 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 4 2 2 4 3 2 2 4 3 2 3 5 4 5 6 7 7 3 4 5 3 4 4 17 33 6 16 22 58 22 6 6 3 3 3 4 3 2 3 4 3 3 3 4 4 7 6 9 5 5 29 33 45 50 74 14 14 3 4 6 3 3 4 4 2 2 3 3 2 2 3 3 2 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 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 2; 1HNMR: 78 78 dd 1H J 11 73 \| 73 72 m 1H \| 71 70 dq 1H J 10 71 \| 70 70 t 1H J 49 \| 40 39 m 2H \| 33 32 q 2H J 52 \| 29 28 m 4H \| 21 20 dddd 2H J 42 49 58 67 \| 20 19 tt 2H J 54 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)OC(C#N)c2ccc(C(=O)c3cccs3)cc2)cc1	ir: 3 5 35 16 11 4 6 3 6 16 15 20 55 26 8 3 3 4 8 4 3 3 10 10 24 5 4 3 2 4 4 9 27 9 8 10 100 12 75 28 4 4 5 6 11 12 7 11 4 6 4 3 6 55 8 14 6 28 12 2 4 7 9 4 16 21 15 16 4 13 10 6 3 3 5 6 16 13 22 4 10 20 2 3 62 3 7 6 31 6 8 9 0 92 42 1 6 4 2 4 5 3 1 2 4 3 2 3 4 3 1 3 6 8 2 5 9 3 5 37 22 18 27 17 11 14 17 13 4 4 10 12 4 3 2 4 4 3 4 8 31 21 3 4 5 5 14 6 11 10 8 7 4 4 2 4 4 2 3 4 9 4 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 5 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 3 3 3 3 3 3 4 3 4 4 5 7 9 5 8 56 91 86 75 34 9 4 6 5 3 3 4 3 2 3 3 2 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3; 1HNMR: 81 81 dd 1H J 17 53 \| 78 78 m 2H \| 78 77 m 2H \| 77 77 dd 1H J 17 61 \| 76 76 m 2H \| 75 74 m 2H \| 73 73 dd 1H J 54 61 \| 67 67 d 1H J 9 \| 24 24 d 3H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cc(C(=O)/C=C/c3ccc(C(=O)O)cc3)cc(C(C)(C)C)c2OCC(C)C)cc1	ir: 6 3 4 1 2 2 5 2 3 2 1 4 12 9 21 9 12 12 11 16 5 23 43 12 20 7 3 6 3 3 3 2 2 2 3 2 2 9 26 15 5 5 2 1 2 2 2 3 2 2 3 2 5 7 50 44 37 9 3 3 4 3 3 4 4 4 8 6 15 8 26 3 4 4 12 6 7 14 13 50 31 9 16 4 2 3 4 9 8 5 4 2 1 3 3 4 2 3 5 3 4 2 2 2 2 1 5 4 5 8 6 9 8 6 9 25 5 7 12 6 3 6 4 10 11 16 12 20 25 16 7 6 7 2 3 3 6 3 8 16 11 6 35 57 21 10 12 2 9 37 7 9 43 5 8 2 2 5 2 2 2 7 2 1 2 1 1 5 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 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 3 2 3 2 3 2 3 2 3 5 5 8 18 34 49 63 74 33 33 3 8 5 7 2 7 100 35 9 5 1 0 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 d 1H J 22 \| 80 79 m 3H \| 78 77 dd 1H J 10 159 \| 76 76 m 2H \| 75 74 m 3H \| 74 73 m 2H \| 39 38 d 2H J 51 \| 24 24 d 3H J 9 \| 20 19 dtt 1H J 51 72 143 \| 14 14 s 8H \| 10 10 d 6H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(Br)C(=O)OCCN	ir: 3 12 9 7 5 4 6 3 5 2 5 4 5 14 8 4 4 2 3 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 5 4 2 2 2 5 2 7 4 7 7 23 24 50 17 13 5 6 4 5 3 8 18 10 34 9 29 40 6 6 4 6 8 3 4 7 16 41 41 32 35 14 6 4 6 5 13 29 24 27 5 3 3 3 4 4 3 2 2 5 6 3 1 1 2 1 1 2 2 2 2 1 1 1 2 2 1 3 13 13 1 10 2 6 11 16 14 21 13 13 9 15 29 28 16 20 12 30 74 64 25 18 7 15 12 8 3 5 4 8 7 26 6 2 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 5 3 2 1 5 2 2 2 3 3 3 3 13 8 5 2 2 2 1 2 2 1 2 3 3 3 3 14 7 16 21 49 36 22 21 7 8 7 84 100 28 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 43 43 t 2H J 38 \| 32 31 tt 2H J 39 70 \| 24 24 t 2H J 70 \| 20 19 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](SC(=O)c2ccccc2)[C@H](O)C1	ir: 11 9 11 8 1 4 3 4 4 5 16 25 29 8 6 9 9 24 16 7 14 21 25 14 15 27 18 18 14 43 42 9 26 29 15 15 49 8 11 21 26 25 7 3 6 8 6 4 8 4 4 2 2 4 4 3 4 6 8 5 7 9 7 3 3 2 14 6 4 3 4 4 2 3 5 2 4 3 19 20 7 3 3 4 2 3 4 5 4 3 3 11 11 10 13 16 60 42 40 20 0 4 6 5 4 12 22 7 9 47 18 52 23 8 5 5 3 5 4 10 6 8 10 19 7 7 6 7 7 17 21 16 13 21 7 5 5 4 7 89 37 5 10 24 100 99 27 7 2 35 26 3 2 4 3 1 2 3 3 1 2 2 2 1 2 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 1 2 1 2 2 2 3 3 3 3 5 3 5 5 4 7 6 6 21 8 19 29 30 30 39 34 5 11 20 22 9 7 3 3 3 3 4 4 3 3 2 2 1 2 3 2 5 14 47 73 28 6 2 3 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 m 2H \| 77 76 m 1H \| 76 75 m 2H \| 49 49 d 1H J 82 \| 42 41 m 1H \| 38 37 m 2H \| 36 35 d 1H J 55 \| 22 20 m 2H \| 20 19 dddd 1H J 29 55 83 137 \| 19 17 m 2H \| 16 15 ddt 1H J 55 82 136 \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(c1ccccc1C(F)(F)F)S(=O)(=O)Cl	ir: 6 4 5 2 2 4 3 3 5 10 12 6 3 21 21 4 4 7 7 4 3 6 4 4 3 5 3 1 1 2 2 1 1 3 3 4 4 2 2 2 2 5 18 33 3 3 2 1 1 3 5 2 2 3 2 1 2 3 2 0 2 3 2 1 9 8 14 10 7 9 4 4 6 5 5 5 7 6 1 0 3 5 3 2 27 97 90 46 11 2 4 3 19 13 4 4 5 5 100 40 17 18 20 28 15 25 9 4 2 2 3 2 2 2 2 4 9 7 10 6 5 4 2 3 4 5 8 9 7 3 1 2 3 1 1 4 8 23 12 1 3 3 2 7 6 3 3 2 4 9 10 2 3 2 2 5 6 2 2 2 3 3 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 3 3 5 6 12 11 12 7 6 7 20 29 21 11 4 2 3 3 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 77 77 dp 1H J 14 105 \| 75 74 m 1H \| 74 74 dt 1H J 18 31 \| 74 73 td 1H J 14 72 \| 52 52 m 1H \| 18 18 d 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(Oc2ncnc3c2cnn3C2CCN(Cc3cccc(C#N)c3)CC2)cc1	ir: 9 16 11 3 2 6 4 5 4 24 6 12 7 5 18 2 1 2 4 3 11 6 4 3 1 3 4 1 1 4 10 3 5 11 36 28 12 13 6 4 11 30 11 39 4 5 7 13 5 4 17 28 4 6 4 20 13 5 5 0 2 4 3 7 7 21 10 7 10 12 4 1 3 4 2 2 5 6 11 3 24 10 4 14 9 20 13 18 90 13 3 1 5 3 1 7 3 10 11 12 5 5 5 7 5 30 15 4 10 12 4 12 10 4 2 3 3 4 3 7 17 16 11 9 25 16 11 10 5 4 5 12 20 3 2 5 10 8 7 4 15 4 7 9 3 3 6 10 10 7 5 41 8 14 11 13 3 2 100 3 5 6 1 4 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 9 2 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 1 3 2 1 2 4 5 2 2 3 3 2 3 4 2 2 3 5 7 19 18 14 22 50 27 4 8 4 4 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 82 82 d 2H J 88 \| 78 78 m 2H \| 77 77 m 2H \| 75 74 dd 1H J 65 73 \| 74 73 dtd 1H J 9 20 71 \| 73 72 m 2H \| 47 46 p 1H J 37 \| 36 36 t 2H J 9 \| 33 32 s 2H \| 29 28 ddd 2H J 49 76 115 \| 27 26 ddd 2H J 49 77 115 \| 23 22 dddd 2H J 38 49 77 134 \| 20 19 dddd 2H J 38 49 77 134	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F	ir: 1 1 1 1 3 1 0 7 2 1 0 1 6 1 1 1 1 0 0 4 1 1 2 1 1 0 0 1 1 0 0 2 1 0 1 2 4 0 6 2 7 12 57 100 33 2 1 0 1 1 1 0 0 0 1 1 1 1 2 1 1 1 1 1 1 0 1 1 1 2 1 1 4 1 4 5 3 0 1 1 4 1 3 3 0 2 1 1 0 0 1 1 0 1 2 2 1 0 1 1 1 3 2 1 0 0 1 1 1 1 2 1 0 3 4 1 0 1 4 1 0 1 1 5 0 1 1 6 11 2 2 1 1 7 4 12 42 6 9 1 7 3 2 1 3 3 11 23 31 4 1 1 1 1 1 1 1 2 1 1 2 4 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 2 4 5 1 19 71 34 8 3 0 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 80 79 m 1H \| 79 78 ddd 1H J 16 35 79 \| 77 76 m 2H \| 76 75 m 2H \| 75 73 m 4H \| 73 73 dd 1H J 18 69 \| 73 72 ddd 1H J 17 68 102 \| 26 26 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1c2ccc(C(=O)Cl)cc2C(Nc2cccc(C)n2)C(C)C1C1CC1	ir: 5 5 10 3 10 8 7 7 22 12 2 8 8 5 5 6 14 7 2 9 9 13 4 9 15 10 12 34 16 5 12 8 10 11 6 10 12 13 7 7 6 4 5 8 14 27 47 8 9 4 3 7 5 3 3 6 4 1 11 11 4 2 5 7 5 5 4 6 5 8 11 20 4 2 4 4 3 3 5 7 8 7 5 4 4 4 5 6 4 7 5 4 6 8 6 5 3 3 5 5 4 3 6 4 2 5 5 10 10 12 12 4 0 6 11 7 5 4 7 3 2 4 7 8 5 5 14 14 7 6 7 6 2 8 8 6 5 10 10 5 3 19 30 6 14 11 40 31 23 15 10 4 7 11 7 21 11 31 6 3 3 4 4 5 2 3 2 0 2 4 2 1 2 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 2 2 4 3 2 4 4 3 1 2 4 3 2 4 4 5 3 9 5 10 17 24 99 21 8 6 11 4 2 4 3 2 1 3 3 2 2 3 3 2 3 4 3 2 4 9 9 26 100 79 18 11 5 4 3 2 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 80 80 m 2H \| 75 74 m 2H \| 67 67 ddd 1H J 7 13 73 \| 65 64 dd 1H J 11 77 \| 60 60 d 1H J 75 \| 52 51 m 1H \| 45 44 tq 1H J 16 68 \| 25 24 m 4H \| 23 23 s 2H \| 20 19 dp 1H J 57 66 \| 13 12 m 2H \| 11 10 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)C4CCC3CC4)sc3c2CCCC3)n1	ir: 11 4 3 4 4 4 7 3 4 3 5 7 9 17 32 14 3 9 7 7 3 4 6 4 3 12 10 7 9 8 5 3 1 2 3 2 3 4 8 18 4 23 7 4 9 11 12 4 11 15 9 4 9 33 33 4 6 7 5 4 3 3 3 5 4 4 3 1 2 3 4 2 2 3 7 4 3 5 3 2 11 8 10 13 16 13 10 4 8 5 2 2 7 2 1 2 5 6 5 4 5 4 3 5 8 21 25 9 17 11 0 16 17 29 31 43 7 24 15 25 43 15 19 17 6 7 9 3 4 8 11 15 4 11 13 10 11 4 5 3 13 22 8 3 3 2 6 10 17 9 2 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 0 1 1 1 0 2 13 4 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 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 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 1 2 2 1 2 1 1 1 3 2 2 2 4 5 5 3 12 18 15 14 16 26 22 20 15 25 91 100 43 8 4 8 5 2 1 2 4 9 39 68 11 3 2 1 1 1 1 1 2 2 1 2 2 2 2 3 7 7 19 18 9 12 11 5 4 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 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 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 30 29 tddd 4H J 14 25 52 69 \| 27 26 m 2H \| 25 24 s 2H \| 20 17 m 9H \| 17 15 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C(=O)O)c1ccc(-c2ccc3c(c2)ncn3-c2cccc(NC(=O)NCC(F)(F)F)c2)cc1	ir: 1 1 3 1 1 1 1 1 0 0 1 3 4 1 2 5 2 3 6 11 7 25 7 4 6 5 3 1 1 1 1 2 1 4 2 1 2 2 5 17 9 7 8 4 5 1 1 5 9 8 1 1 1 1 16 2 4 2 1 0 1 0 0 0 1 1 1 4 8 2 9 0 5 1 1 1 1 3 6 26 3 2 2 2 1 1 1 2 2 3 5 2 1 1 1 2 5 2 2 5 2 4 11 3 7 9 2 1 0 1 1 4 5 2 1 1 1 3 2 3 1 2 1 5 5 2 1 4 4 2 1 1 1 0 0 0 1 0 0 1 1 3 1 9 3 2 1 2 6 9 37 0 3 19 2 0 0 3 3 1 1 1 0 6 1 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 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 1 1 1 1 1 1 2 1 1 2 2 1 3 13 15 4 2 1 1 1 1 3 47 100 14 4 1 1 0 1 0 0 0 1 1 2 5 5 8 4 3 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 s 1H \| 81 80 m 4H \| 78 78 dd 1H J 22 77 \| 75 73 m 6H \| 72 71 m 2H \| 41 40 qd 2H J 50 130 \| 38 37 m 1H \| 15 14 d 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(OCCCCBr)c1	ir: 1 1 1 1 1 1 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 2 11 8 3 1 1 1 3 1 1 1 2 1 1 1 11 33 3 1 1 1 1 1 1 6 1 2 5 3 1 1 3 1 1 9 9 8 10 2 2 1 1 1 1 1 1 5 1 1 1 1 1 1 1 1 1 1 2 8 3 1 1 2 2 1 1 1 1 2 1 2 1 1 4 5 1 2 2 4 5 3 1 1 1 2 2 4 2 1 1 2 1 1 1 2 3 2 1 2 1 0 1 2 1 0 2 4 0 100 1 0 2 2 1 1 1 1 1 1 4 5 20 16 3 2 1 1 1 4 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 2 2 1 1 1 1 2 5 17 3 6 49 10 6 2 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 76 75 ddd 1H J 13 22 66 \| 75 74 m 1H \| 74 73 t 1H J 22 \| 71 71 ddd 1H J 12 22 71 \| 41 40 t 2H J 58 \| 35 35 t 2H J 44 \| 20 19 m 2H \| 19 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Cl)/C=C/c1ccc(Br)s1	ir: 1 1 1 1 1 1 1 4 14 2 2 1 1 1 1 1 1 1 5 10 2 1 3 12 14 1 0 1 1 1 1 1 1 1 1 1 2 1 1 3 4 6 5 1 1 1 1 1 1 1 2 5 1 1 1 1 1 1 1 1 1 1 1 1 6 7 3 1 1 1 1 1 1 0 1 1 1 0 2 4 14 1 7 100 4 8 13 6 2 2 0 1 2 1 0 1 3 1 1 3 3 1 0 1 1 1 1 5 4 5 20 14 19 2 0 1 3 2 4 40 0 1 3 2 6 9 16 3 1 1 1 6 7 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 10 3 1 2 1 1 1 1 1 3 8 1 1 1 1 1 1 1 1 1 1 1 1 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 7 5 5 9 11 15 5 3 3 5 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 dd 1H J 6 176 \| 73 72 d 1H J 174 \| 71 71 m 1H \| 71 70 d 1H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(C(F)(F)F)c(CS(=O)(=O)C2=NOC(C)(C)C2)c1Cl	ir: 3 13 9 16 28 10 16 10 12 14 18 10 5 5 12 4 1 16 16 2 4 15 13 7 2 4 6 7 4 6 3 1 2 3 2 2 3 3 2 1 2 4 3 3 4 5 4 4 4 3 2 1 2 3 2 1 2 5 4 1 4 5 8 6 21 24 47 7 6 4 3 2 3 3 2 1 4 9 13 3 4 5 5 90 35 10 3 12 7 8 16 3 6 5 0 2 8 5 1 100 14 3 12 4 4 5 7 16 13 5 4 2 2 2 3 3 4 6 6 7 7 8 24 11 8 7 10 8 14 17 7 7 4 2 2 17 4 2 2 2 2 2 2 2 3 2 1 3 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 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 2 2 2 2 2 2 2 2 2 3 2 1 2 3 4 3 3 4 4 9 21 6 4 5 4 7 9 8 23 29 9 1 4 4 3 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 49 49 s 2H \| 39 38 s 3H \| 31 30 s 2H \| 14 14 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)N(c1ccc2c(c1)OC(F)(F)O2)C1CCCC1)c1ncc(SCC(=O)O)s1	ir: 22 10 3 8 17 4 3 8 5 6 2 5 4 4 6 8 4 4 3 5 6 5 9 15 19 10 7 5 5 6 17 7 4 5 5 5 5 8 3 3 4 5 8 13 11 7 7 6 6 7 9 16 7 11 20 20 21 13 8 10 5 7 6 8 5 6 5 8 8 8 8 7 7 6 5 12 22 15 6 5 3 3 7 15 13 9 9 7 6 5 8 9 6 16 35 15 0 100 28 48 16 5 4 5 4 10 28 14 13 20 21 10 22 12 24 7 10 17 6 5 5 8 5 8 13 20 14 12 7 8 4 4 4 4 4 4 5 4 4 3 3 6 15 35 14 4 2 4 4 3 11 13 6 6 3 3 3 2 2 3 3 3 24 3 2 2 3 3 3 2 2 3 2 2 3 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 3 2 2 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 3 2 2 2 3 3 2 3 2 2 3 3 3 2 3 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 5 5 4 4 6 7 9 30 11 6 12 14 10 9 25 69 26 20 19 36 75 17 3 7 4 5 22 9 4 3 2 3 3 2 3 3 3 2 2 3 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 82 81 s 1H \| 71 71 m 1H \| 71 71 s 2H \| 71 70 dd 1H J 7 73 \| 39 38 q 1H J 53 \| 39 38 s 2H \| 35 34 s 2H \| 22 21 m 1H \| 20 17 m 5H \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CCC(C(=O)N2CCC[C@H]2C(=O)O)C1S	ir: 2 2 1 2 6 2 0 2 4 5 4 5 9 10 8 9 9 4 6 15 61 100 43 5 1 4 4 2 3 6 9 13 11 3 4 5 11 9 9 3 4 2 3 2 3 5 5 8 6 10 4 13 9 3 3 6 6 11 1 2 2 1 2 9 6 3 3 2 2 2 2 1 2 3 2 2 3 5 28 46 2 2 3 2 2 5 8 4 5 8 7 5 9 6 10 9 5 9 3 4 5 2 5 11 9 12 6 11 21 18 18 6 1 8 15 5 4 2 4 3 2 3 3 4 5 6 12 5 8 3 9 7 1 2 2 2 6 5 9 7 3 2 6 68 7 3 30 99 2 2 2 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 2 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 4 20 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 5 4 5 6 6 3 5 14 16 2 2 2 1 0 1 1 1 1 1 1 44 37 3 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 43 42 ddt 1H J 18 38 59 \| 37 36 ddd 1H J 36 54 119 \| 36 35 m 1H \| 29 29 ddp 1H J 15 44 76 \| 27 26 dt 1H J 54 64 \| 22 21 dddd 1H J 41 51 69 122 \| 21 20 ddtd 1H J 37 53 71 125 \| 20 18 m 4H \| 17 16 m 2H \| 15 14 m 1H \| 11 10 d 3H J 15 \| 10 10 d 3H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2ncccc2c1	ir: 2 2 1 1 2 1 1 0 1 0 1 1 5 2 2 1 3 6 3 4 2 1 1 0 1 2 1 1 1 2 1 0 1 3 1 1 1 0 1 2 19 0 1 1 0 0 0 12 1 1 0 2 1 2 2 4 100 6 4 0 2 6 2 2 5 2 5 7 30 41 10 6 4 2 1 0 0 1 2 1 1 0 0 1 0 4 3 1 1 4 6 7 1 1 1 1 4 23 3 1 7 1 1 1 0 0 1 1 3 2 3 0 0 0 0 0 0 0 2 1 1 4 3 1 1 3 4 1 1 0 1 0 0 0 1 0 0 1 11 1 0 1 1 0 2 1 14 34 2 9 70 29 9 2 3 3 63 4 2 2 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 2 4 12 17 61 71 15 2 2 3 1 0 0 1 1 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; 1HNMR: 89 88 dd 1H J 16 42 \| 81 80 dt 1H J 19 81 \| 79 79 d 1H J 84 \| 75 75 dd 1H J 41 83 \| 72 72 dd 1H J 24 84 \| 71 70 t 1H J 23 \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(-c2nccs2)cc1C(F)(F)F	ir: 4 3 6 5 7 12 6 3 3 5 4 6 3 11 1 5 3 5 1 2 3 4 2 3 3 5 4 40 5 2 2 7 5 2 7 19 1 4 2 2 2 0 5 3 24 3 5 1 2 11 10 12 28 5 24 100 19 2 4 2 4 5 7 6 6 9 10 36 36 48 10 3 2 7 10 5 1 1 3 3 3 6 3 8 11 54 12 8 6 6 4 7 4 22 18 2 11 18 22 81 12 9 10 17 6 6 71 12 4 3 3 2 1 2 3 2 1 2 3 6 12 21 9 5 19 5 6 5 5 26 23 13 11 3 2 2 2 1 1 3 3 13 19 7 2 2 1 1 2 1 48 33 5 7 9 5 2 1 1 1 1 1 2 1 12 9 3 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 4 2 1 3 2 1 3 4 7 11 100 38 59 31 18 3 5 4 3 1 2 1 2 2 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 dt 1H J 12 25 \| 80 80 dd 1H J 21 60 \| 78 78 d 1H J 60 \| 78 78 d 1H J 42 \| 74 73 d 1H J 44	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CO)c1ccc2c(c1)Cc1ccccc1-2	ir: 8 10 12 9 7 14 10 5 3 3 3 5 5 3 2 3 5 6 3 10 4 4 5 6 5 5 7 3 3 2 5 6 4 3 3 4 4 9 8 5 6 14 100 43 3 3 2 3 3 1 2 5 13 32 39 8 6 9 4 9 5 1 6 7 2 2 3 9 9 13 10 21 10 3 5 10 3 1 4 5 4 16 18 20 60 22 78 73 23 31 22 7 9 15 21 14 8 4 2 3 9 16 3 2 1 2 2 2 0 1 2 1 1 1 1 2 1 2 3 3 6 8 6 5 5 6 9 5 4 8 3 1 1 3 2 5 17 12 21 5 25 33 4 3 1 1 2 1 6 3 8 2 6 5 3 2 1 2 3 1 1 3 3 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 2 1 1 5 5 3 3 7 3 7 7 10 14 13 42 84 94 23 7 9 4 6 9 23 11 1 1 2 2 1 2 2 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 77 77 m 2H \| 76 76 m 1H \| 74 74 q 1H J 9 \| 74 73 td 1H J 12 75 \| 73 73 td 1H J 13 74 \| 73 72 dt 1H J 9 86 \| 42 41 dq 2H J 9 150 \| 39 38 ddd 1H J 49 60 117 \| 36 35 m 1H \| 30 29 m 1H \| 26 26 t 1H J 61 \| 13 13 d 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(C(=S)NN)cc(C(C)(C)C)c1O	ir: 4 2 1 2 3 2 1 2 3 1 0 1 2 1 0 2 2 1 1 3 3 2 1 2 2 2 2 6 7 12 16 12 9 3 2 3 2 1 1 2 6 8 4 3 2 2 1 2 2 0 1 2 1 0 2 3 2 0 1 3 5 2 7 20 16 13 14 10 11 5 4 5 13 3 2 2 1 2 4 2 6 18 16 5 4 3 6 34 5 2 2 2 1 2 2 2 1 2 2 1 1 7 6 2 0 1 3 2 1 1 3 1 0 1 3 2 0 2 4 4 1 2 3 2 4 3 4 4 2 5 6 11 13 38 18 8 2 3 3 2 2 3 4 11 2 2 2 2 14 26 10 1 2 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 2 2 3 4 11 4 4 25 11 3 2 3 2 3 2 100 50 2 1 2 4 14 22 40 4 3 3 5 5 7 60 17 15 12 3 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 3 3 2 2 2 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0; 1HNMR: 95 95 t 1H J 39 \| 78 78 s 2H \| 57 57 s 1H \| 45 45 d 3H J 38 \| 14 14 s 17H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2cc3nc(NN)cc(N4CCOCC4)n3n2)no1	ir: 1 2 1 2 3 2 2 4 7 3 4 4 6 6 13 14 15 9 7 5 3 2 2 3 4 2 2 2 5 2 6 6 4 1 2 1 2 2 2 2 2 2 6 10 9 6 6 4 5 6 5 3 16 4 9 11 6 6 6 6 2 1 4 3 5 5 6 2 5 1 3 15 26 34 4 1 2 2 1 1 2 2 3 3 8 13 3 3 3 2 2 2 2 3 2 3 4 2 4 2 1 1 2 2 10 40 36 17 15 3 4 12 19 21 17 5 3 10 9 5 2 7 9 14 38 11 4 8 5 4 4 4 9 5 5 6 8 12 12 5 6 6 3 8 6 3 1 1 1 2 4 1 1 1 1 1 1 1 1 4 2 1 1 1 9 48 3 3 1 0 1 2 1 5 21 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 6 6 4 6 13 11 9 11 4 4 5 3 2 14 49 100 49 18 13 22 22 9 2 2 3 2 1 1 2 2 1 1 14 8 0 2 3 2 2 2 7 13 12 13 6 2 2 2 2 1 1 1 2 22 29 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 t 1H J 41 \| 71 71 s 1H \| 68 68 s 1H \| 58 58 s 1H \| 49 48 d 2H J 42 \| 38 37 m 5H \| 36 36 m 4H \| 25 25 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1c([C@H](C)NC(=O)OC(C)(C)C)nc2ccc(F)cc21	ir: 8 11 11 12 7 5 3 6 6 8 3 2 4 5 1 2 2 2 1 3 4 4 4 3 11 3 1 4 7 1 22 38 35 31 14 6 2 10 7 4 2 4 5 1 2 1 2 3 2 3 12 7 3 66 100 10 5 2 3 2 2 6 8 4 4 4 13 9 4 4 2 1 6 6 6 3 3 2 2 1 2 4 6 3 1 2 3 6 2 1 1 1 2 3 4 3 3 2 9 7 3 3 1 3 7 15 3 6 3 6 10 2 2 8 13 9 10 6 4 10 13 7 12 10 10 6 20 11 15 9 7 20 9 3 12 18 16 8 9 37 12 7 1 10 25 83 89 20 20 47 32 22 4 7 9 2 2 4 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 2 2 3 4 2 2 2 1 3 3 3 3 6 7 12 10 55 16 16 37 21 7 4 4 1 2 3 2 1 1 1 2 2 1 1 1 2 2 1 1 3 5 7 49 72 12 3 4 2 1 2 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 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; 1HNMR: 78 77 dd 1H J 46 77 \| 73 72 m 2H \| 57 57 d 1H J 70 \| 51 50 dq 1H J 55 70 \| 48 47 p 1H J 50 \| 18 17 d 3H J 55 \| 16 15 dd 7H J 51 108 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(NCCNc2nc(-c3ccc(Cl)cc3Cl)nn3cnnc23)ccc1C(=O)C(F)(F)F	ir: 8 11 20 12 28 11 13 7 12 10 6 8 13 7 5 13 9 10 6 8 21 17 9 14 9 11 13 51 36 22 22 17 8 15 8 16 9 15 5 17 20 32 51 74 34 15 11 15 15 8 12 11 12 16 25 4 20 5 4 2 5 4 5 5 6 4 10 9 2 6 4 3 4 1 3 5 3 8 4 2 1 2 1 3 3 3 8 11 3 4 15 5 2 2 3 3 2 4 11 22 8 11 6 4 3 15 22 12 9 6 5 4 2 3 4 3 2 38 10 25 12 10 12 22 8 12 8 4 9 4 8 23 4 2 2 8 13 14 6 13 29 45 28 15 39 28 49 38 14 31 22 25 73 13 70 99 41 15 13 10 68 33 6 2 2 3 1 0 2 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 2 1 3 2 1 2 2 4 1 2 3 2 2 2 3 4 12 6 45 15 5 3 4 3 2 2 4 3 1 2 3 3 2 3 4 7 38 29 13 5 1 26 15 46 70 70 17 14 10 100 21 11 5 1 2 3 2 1 2 2 1 1 2 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 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; 1HNMR: 93 93 s 1H \| 84 83 t 1H J 48 \| 79 78 dd 2H J 80 176 \| 77 77 d 1H J 21 \| 75 74 dd 1H J 21 78 \| 74 73 s 2H \| 66 66 t 1H J 49 \| 61 61 d 1H J 81 \| 39 38 dt 2H J 41 48 \| 38 37 dt 2H J 41 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cncc(-c2cc(C(=O)N3CCNC(=O)C3)nn2-c2ccc(F)c(Cl)c2)c1	ir: 4 2 1 2 2 4 1 2 6 11 4 2 6 1 1 1 8 10 12 4 3 4 5 3 7 5 30 100 28 7 7 11 3 2 27 4 9 3 5 1 3 4 3 2 1 8 6 15 4 1 2 2 3 7 6 18 1 2 3 1 1 2 2 3 4 3 5 13 13 1 1 2 2 1 3 6 8 3 2 2 9 7 3 1 2 1 1 1 1 5 1 1 1 1 0 6 2 2 2 2 1 2 4 3 1 1 1 2 6 1 2 4 8 38 3 3 8 8 6 5 13 5 6 4 10 27 22 8 4 16 10 40 5 2 6 2 2 5 2 1 2 1 18 6 1 0 0 1 1 8 7 41 26 12 11 1 3 2 32 2 1 1 3 1 2 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 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 1 1 1 1 1 3 1 1 1 1 1 3 6 5 3 10 21 13 37 5 3 2 1 1 1 1 0 1 1 0 0 1 1 2 1 1 2 1 10 11 43 45 13 4 5 2 2 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 t 1H J 17 \| 81 81 t 1H J 17 \| 78 77 dd 1H J 21 32 \| 76 75 ddd 1H J 22 37 82 \| 75 75 t 1H J 17 \| 73 73 s 1H \| 73 72 dd 1H J 83 102 \| 64 64 t 1H J 35 \| 40 40 s 2H \| 39 39 s 3H \| 38 37 m 2H \| 35 35 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=CC(=O)NC1=O	ir: 5 16 7 6 7 6 6 6 5 6 6 6 5 8 13 7 6 5 9 5 5 6 6 5 5 6 6 5 6 15 5 5 8 5 5 6 5 6 6 6 6 7 6 7 6 5 7 14 57 78 8 6 6 6 14 6 7 20 6 6 6 6 6 5 6 7 7 24 6 6 8 8 7 7 6 5 15 6 6 6 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 6 6 6 5 10 8 6 4 7 13 100 12 6 8 8 16 17 10 6 7 5 7 6 6 6 5 6 6 5 5 6 6 5 6 21 7 5 5 7 17 10 6 6 6 5 5 6 6 4 5 8 6 0 56 6 23 71 7 3 5 7 6 4 5 7 5 4 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 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 6 6 5 5 5 6 5 5 5 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 6 6 6 6 5 6 6 6 5 6 6 6 7 7 6 6 6 15 10 11 6 6 6 6 5 6 6 5 5 6 6 6 5 6 6 6 9 8 8 6 6 73 5 6 6 5 5 6 6 5 6 6 6 6 6 6 6 6 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6; 1HNMR: 92 92 s 1H \| 75 75 s 1H \| 43 42 q 2H J 64 \| 13 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N(C)c2nc(CC#N)nc3ccccc23)cc1	ir: 1 3 13 5 2 3 2 2 2 2 2 4 3 7 2 2 2 2 2 2 2 2 2 3 4 7 2 4 6 8 10 2 2 1 2 12 2 2 4 4 2 3 4 2 17 4 3 2 11 100 1 7 2 7 2 20 9 4 3 2 3 4 5 14 4 1 2 4 5 2 4 4 15 2 3 4 2 2 2 3 2 2 2 2 2 12 3 2 2 2 2 5 3 2 3 2 2 2 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 2 3 6 3 3 1 2 2 1 2 2 2 7 7 3 3 4 7 6 6 7 6 2 1 2 3 3 17 48 8 3 3 2 12 11 25 9 4 50 8 6 3 43 4 2 2 1 2 5 1 27 2 0 1 2 1 1 1 1 1 1 3 1 2 43 1 3 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 2 1 2 2 2 1 3 4 7 3 10 54 31 14 5 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 1 1 1 1 1 1; 1HNMR: 82 82 m 1H \| 80 80 dd 1H J 14 75 \| 78 78 td 1H J 13 72 \| 75 75 ddd 1H J 13 69 97 \| 71 71 m 2H \| 69 68 m 2H \| 38 38 s 3H \| 38 38 s 2H \| 37 37 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(OCCBr)ccc3Cl)sc2c1	ir: 3 2 2 3 6 2 2 1 5 10 4 12 3 1 0 4 2 2 2 3 3 2 1 1 2 1 2 11 1 1 1 1 2 2 1 3 4 5 7 2 3 3 4 3 2 1 1 1 2 1 2 3 3 16 31 14 17 35 26 22 6 2 2 5 3 19 8 8 7 12 6 2 1 0 1 1 1 2 2 1 4 19 5 20 13 18 45 9 3 1 2 2 2 2 3 4 7 2 4 15 3 4 4 9 19 18 9 2 1 1 2 2 0 1 2 2 1 2 4 3 2 21 17 5 3 2 2 2 1 1 1 1 1 1 1 6 1 1 1 1 1 2 3 29 4 2 10 11 2 2 11 9 100 53 59 17 1 1 2 0 2 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 2 3 1 0 1 2 2 0 1 2 1 1 8 12 9 13 15 44 22 5 5 3 3 2 1 2 1 1 1 1 2 2 1 1 1 1 2 1 3 5 7 24 35 43 14 4 3 2 4 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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: 84 83 d 1H J 21 \| 81 81 d 1H J 82 \| 80 80 dd 1H J 21 82 \| 75 74 d 1H J 89 \| 74 73 d 1H J 27 \| 70 69 dd 1H J 26 90 \| 44 43 t 2H J 35 \| 38 37 t 2H J 35 \| 32 32 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(NS(=O)(=O)c2ccc(Br)cc2)cnn1C	ir: 3 8 9 8 8 7 5 6 3 9 15 19 5 7 8 15 14 49 2 6 8 9 23 13 6 5 11 8 7 3 10 21 13 10 7 13 16 9 4 6 3 2 3 2 3 1 3 7 16 8 9 4 5 56 28 2 4 4 10 10 3 2 3 7 26 2 3 4 3 3 3 3 2 2 2 2 3 3 5 2 3 4 6 19 51 4 0 28 17 24 13 6 0 2 3 5 2 2 6 8 2 2 3 4 2 7 21 20 21 7 2 2 0 3 2 5 16 23 32 11 12 36 16 41 16 17 6 2 1 3 4 2 1 1 2 1 0 2 2 10 1 2 2 4 4 18 4 4 10 6 33 5 4 2 1 1 7 2 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 1 1 1 2 2 1 2 2 2 2 4 7 11 2 16 24 24 6 7 7 2 2 2 6 3 1 2 1 1 1 1 2 1 1 2 2 3 2 4 16 66 21 100 26 8 6 5 4 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; 1HNMR: 92 92 s 1H \| 79 79 m 2H \| 77 77 m 2H \| 74 74 s 1H \| 37 37 s 3H \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1csc2ncc(C=O)n12	ir: 5 7 7 7 7 9 9 13 10 13 9 20 11 14 9 7 7 10 9 17 8 7 6 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 7 35 10 7 6 6 6 6 5 6 6 6 5 6 6 9 14 14 16 10 6 6 6 6 6 7 13 9 16 10 8 7 5 8 11 16 9 8 5 6 6 6 6 5 5 6 7 7 16 5 5 6 6 5 5 6 6 5 7 12 100 27 10 14 8 20 10 16 7 6 6 6 6 4 6 11 34 16 27 4 8 8 13 13 12 7 6 5 6 7 6 6 6 5 7 8 17 10 5 4 7 7 6 7 8 8 9 9 12 8 6 5 7 6 4 5 8 7 3 7 15 34 81 28 0 5 8 6 4 5 7 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 6 6 6 6 6 6 6 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 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 6 6 6 6 5 6 6 5 5 6 6 5 6 7 8 8 6 6 6 6 6 6 6 6 6 7 8 11 12 8 9 10 13 7 19 20 12 8 6 6 6 6 6 5 6 6 6 5 6 6 6 6 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 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 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 6 6; 1HNMR: 86 86 s 1H \| 69 69 q 1H J 15 \| 24 24 d 4H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)C(=O)c1cccnc1F	ir: 12 9 11 7 11 7 8 6 14 21 22 9 4 4 4 3 3 3 5 8 5 5 4 4 3 3 5 7 9 7 12 6 4 4 9 36 80 71 100 99 23 14 34 27 6 7 9 5 4 4 4 2 3 5 5 3 12 23 10 5 6 8 20 8 18 8 3 3 4 4 3 3 5 8 3 2 4 4 3 3 7 5 6 25 27 6 5 4 4 5 3 11 5 6 13 7 7 8 5 7 15 7 3 4 4 13 25 4 4 4 2 3 5 4 3 5 12 16 15 21 16 8 4 6 8 10 5 27 80 32 37 24 21 50 44 21 10 9 6 16 5 3 13 73 47 22 6 8 35 89 98 0 1 14 84 66 8 12 8 3 4 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 5 4 5 5 8 5 4 4 3 4 4 4 2 6 6 6 13 71 23 11 78 85 6 7 4 4 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 85 85 ddd 1H J 21 38 56 \| 83 82 ddd 1H J 20 37 88 \| 76 76 dd 1H J 54 89 \| 15 15 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC=C(c2c[nH]nn2)CC1	ir: 2 1 1 3 3 3 2 2 2 3 8 4 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 0 2 7 34 13 3 0 1 2 1 0 1 1 1 1 2 3 2 1 1 2 1 1 1 5 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 3 6 5 3 3 5 8 8 3 4 2 1 2 2 3 2 7 3 3 2 2 1 3 3 1 1 1 11 1 1 2 2 1 0 3 5 100 16 30 1 2 2 0 1 2 1 1 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 2 2 1 4 9 8 4 4 1 2 5 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 53 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 d 1H J 20 \| 60 60 tt 1H J 9 38 \| 42 41 dt 2H J 10 38 \| 39 38 m 2H \| 32 31 m 2H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2ccn(C)n2)(C4)C3)cn1	ir: 3 2 1 3 5 3 8 8 4 8 5 7 19 10 8 12 5 2 3 5 3 2 1 2 5 11 33 5 10 5 1 2 3 2 5 5 51 0 1 7 10 15 53 47 30 5 8 4 3 3 5 3 12 4 4 5 5 13 2 3 2 0 1 2 1 2 2 2 7 25 42 4 3 1 10 5 2 1 1 2 1 1 7 4 1 4 5 5 1 4 3 7 9 11 5 6 15 3 3 3 0 1 3 2 1 2 8 5 1 2 5 5 2 2 5 2 1 3 4 1 0 2 3 3 2 5 11 14 5 5 71 6 8 4 4 1 1 4 27 21 3 7 20 8 5 54 25 15 7 8 24 24 10 10 3 1 1 6 1 3 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 3 2 2 2 3 4 7 3 3 2 4 3 4 5 20 5 3 6 11 5 4 4 32 7 3 2 1 1 1 2 1 0 1 2 3 2 9 3 4 6 23 100 75 3 6 4 4 2 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 1 1 1 0 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: 90 89 s 1H \| 86 85 d 1H J 9 \| 77 77 d 1H J 36 \| 74 73 s 1H \| 72 72 s 1H \| 68 68 d 1H J 35 \| 40 39 d 3H J 7 \| 26 26 s 3H \| 21 21 hept 2H J 49 \| 20 19 dd 4H J 49 135 \| 18 18 s 2H \| 18 17 m 5H \| 15 15 dt 1H J 52 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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