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Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
CC(C)[C@@H](CO)C(C)(N)c1ccc(Br)c(Cl)c1	ir: 6 5 3 4 9 5 2 3 4 4 3 5 5 3 1 3 5 2 0 3 4 2 8 4 3 1 1 3 3 1 3 3 3 1 4 6 3 1 2 4 3 1 3 7 3 1 2 5 3 7 8 6 9 13 8 22 40 65 13 10 12 14 10 16 10 67 92 21 28 18 25 16 9 2 7 6 7 1 6 5 3 3 7 6 4 13 34 69 63 25 41 36 19 7 8 13 5 3 7 5 3 2 4 4 2 7 6 4 1 3 5 5 5 5 9 9 6 7 18 7 9 6 7 8 4 8 8 8 3 14 65 38 23 60 38 16 11 13 5 3 2 4 3 1 2 3 4 2 15 8 3 1 2 5 7 4 2 4 2 1 2 6 4 1 2 4 2 1 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 1 1 3 2 1 2 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 2 4 3 2 2 7 4 1 2 5 3 2 3 6 5 6 5 24 7 23 9 26 10 6 7 7 4 4 17 55 7 5 5 4 21 100 48 14 10 16 5 9 9 88 93 11 3 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 0 1 3 2 1 1 3 2 0 1 3 2 1 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 1 0; 1HNMR: 75 75 d 1H J 81 \| 73 73 d 1H J 23 \| 71 71 dd 1H J 22 81 \| 38 37 ddd 1H J 50 61 119 \| 36 35 ddd 1H J 50 61 119 \| 23 23 s 2H \| 20 20 t 1H J 50 \| 18 17 m 2H \| 16 15 d 3H J 14 \| 9 9 dd 3H J 16 60 \| 9 8 dd 3H J 17 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(OCc2ccc(C3CCNCC3)cn2)cc1	ir: 1 5 9 7 6 3 3 4 9 11 8 13 11 11 10 2 2 3 5 3 4 2 4 4 1 3 6 7 3 8 5 9 4 11 9 10 13 20 8 6 3 3 6 3 2 7 8 5 15 8 5 8 17 17 26 23 23 4 7 5 4 3 3 3 11 20 10 13 12 22 19 4 2 2 1 2 3 4 2 1 3 2 67 12 31 43 4 6 7 9 4 7 4 3 2 4 6 15 6 5 2 2 3 6 7 16 13 9 16 8 19 14 8 11 8 26 15 9 23 15 32 12 12 4 17 9 14 15 15 33 7 6 10 8 8 7 7 8 19 10 8 6 4 1 1 4 6 9 15 8 12 3 7 5 2 1 1 1 2 4 65 18 2 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 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 2 2 1 1 3 2 2 3 2 3 3 3 3 2 3 4 18 16 11 21 42 29 50 23 15 8 4 4 5 3 3 5 2 4 3 5 7 4 10 13 8 29 100 69 23 26 9 7 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1; 1HNMR: 84 83 m 1H \| 78 77 m 2H \| 75 75 m 1H \| 72 71 dt 1H J 9 81 \| 71 70 m 2H \| 53 52 d 2H J 7 \| 33 32 s 2H \| 31 31 dddd 2H J 26 38 53 134 \| 30 29 m 1H \| 28 28 dddd 2H J 27 38 55 134 \| 25 24 p 1H J 39 \| 22 21 dddd 2H J 27 55 64 143 \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)n1c(SC(F)(F)C(F)F)nc(-c2ccccc2)c1-c1ccccc1	ir: 0 0 0 0 2 4 1 1 1 1 5 1 1 1 5 1 0 0 0 1 0 0 8 2 2 1 0 1 1 3 1 5 4 6 9 11 3 1 7 6 4 100 27 9 2 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 4 2 3 6 5 4 14 4 11 5 13 5 3 0 2 2 2 1 1 1 1 1 1 0 0 4 1 0 0 1 3 0 0 1 1 1 1 7 1 0 0 2 2 1 0 0 0 0 0 1 1 4 2 1 3 4 3 2 2 4 5 4 11 6 3 2 21 13 0 1 1 1 2 31 1 1 2 4 1 1 2 10 10 14 4 8 8 4 1 5 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 1 1 1 1 2 2 4 3 7 13 9 23 11 8 2 3 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 4H \| 75 73 m 4H \| 73 72 m 2H \| 63 63 t 1H J 69 \| 27 27 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(Cl)c2nnn(Cc3ccccn3)c2n1	ir: 4 6 7 5 4 5 5 6 3 3 5 4 3 4 4 3 3 5 4 4 4 4 5 4 3 4 4 4 4 4 5 3 3 3 3 3 3 4 6 4 3 3 3 2 3 4 3 3 3 4 3 3 6 9 10 0 19 7 4 3 5 4 5 4 4 4 4 3 3 5 5 4 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 5 3 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 4 3 3 3 3 3 4 3 3 3 3 3 3 3 3 4 4 5 6 8 5 4 4 7 10 4 4 5 9 15 30 28 19 5 4 32 4 3 4 14 16 15 4 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 4 3 3 3 3 3 4 4 4 6 12 4 4 3 3 3 3 3 3 3 3 3 3 3 4 3 3 6 12 12 4 3 4 3 3 3 3 3 3 3 16 100 5 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 86 86 dd 1H J 17 41 \| 77 76 ddd 1H J 17 67 73 \| 73 73 ddd 1H J 13 41 73 \| 72 72 dq 1H J 10 67 \| 59 59 s 2H \| 59 58 d 2H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ccccc1N=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	ir: 7 5 7 8 9 8 9 14 6 4 9 10 5 8 14 16 5 6 15 17 3 15 14 8 7 5 7 8 3 5 7 4 2 3 3 4 7 6 9 10 8 15 43 4 3 4 3 1 2 3 5 1 3 7 4 1 2 4 2 3 6 12 3 4 6 6 15 17 16 14 14 5 4 14 10 5 6 5 9 22 27 7 5 8 11 12 30 13 14 8 3 3 3 6 16 16 5 4 1 2 4 3 8 17 7 2 1 3 4 2 3 27 26 7 4 2 5 8 6 21 18 9 6 14 12 15 5 4 5 4 6 14 42 10 0 4 19 28 9 5 7 12 11 7 7 17 41 44 14 7 10 28 4 3 9 7 16 28 24 6 4 2 3 3 2 2 2 4 3 2 3 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 2 3 3 3 2 2 2 1 2 2 2 2 3 6 5 7 12 17 27 80 78 7 6 4 2 3 6 60 33 7 2 3 2 1 2 2 2 2 3 3 20 9 15 25 100 21 32 20 4 8 4 5 3 3 2 2 4 2 1 2 2 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 86 86 s 1H \| 80 80 s 1H \| 74 73 m 4H \| 73 72 m 2H \| 70 70 dd 1H J 16 70 \| 65 64 q 1H J 45 \| 31 31 d 4H J 44 \| 15 14 s 8H \| 14 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(Cc1cccc(Br)c1)NC(=O)OC(C)(C)C	ir: 7 6 1 3 2 2 3 1 1 8 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 18 100 26 3 4 4 1 10 8 3 0 0 3 2 0 1 2 19 45 5 2 1 0 1 2 1 2 2 2 1 1 3 2 2 2 6 3 3 3 5 2 1 1 1 1 1 1 2 2 1 2 2 1 1 2 14 5 1 1 2 1 1 1 2 2 1 3 4 3 3 2 2 2 1 2 5 2 1 1 1 1 2 1 1 1 0 1 2 2 3 9 6 3 3 4 3 7 2 3 5 10 10 13 5 3 2 2 1 2 2 7 8 3 6 29 37 4 1 3 4 20 34 7 2 5 11 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 2 3 3 4 21 9 14 16 15 5 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 9 72 27 5 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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; 1HNMR: 74 73 ddd 1H J 12 21 80 \| 73 73 tt 1H J 10 22 \| 72 72 dd 1H J 70 81 \| 72 71 ddd 1H J 11 22 69 \| 57 57 s 1H \| 29 29 d 2H J 9 \| 15 14 s 6H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C=O)C1CCC(C)C1(C)C	ir: 2 6 13 6 4 3 8 7 16 14 9 5 2 5 5 3 6 2 1 1 2 4 5 3 1 1 1 1 1 1 1 1 2 1 2 6 2 1 1 1 1 1 1 1 1 2 1 1 6 14 3 1 1 0 1 5 13 19 3 8 10 2 3 7 3 4 8 5 1 4 3 5 6 8 5 3 8 7 2 1 1 1 1 2 3 3 2 2 2 7 3 2 2 1 1 2 1 2 5 4 10 20 35 21 18 22 57 23 3 6 13 6 2 18 9 2 3 18 12 16 10 7 4 4 3 6 6 18 2 2 6 6 7 4 2 2 1 1 1 1 2 1 2 2 1 1 2 2 4 31 100 24 10 6 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 12 10 3 2 3 5 6 8 9 7 14 25 40 45 43 14 5 0 2 1 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 96 95 ddq 1H J 9 20 80 \| 25 24 ddq 1H J 63 81 88 \| 20 19 dtdt 1H J 15 31 60 90 \| 17 15 m 3H \| 14 12 m 2H \| 10 10 dt 3H J 13 62 \| 10 9 t 3H J 14 \| 9 9 t 3H J 14 \| 9 8 d 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2C(=O)N1CC=Cc1ccc(O)cc1	ir: 1 1 1 1 1 1 0 1 2 3 1 2 3 1 1 1 1 0 2 2 0 0 1 0 1 1 0 1 1 0 2 1 1 2 2 2 2 5 3 67 5 1 1 0 0 1 1 0 1 2 0 0 1 1 1 1 3 2 2 0 1 1 1 1 0 0 0 0 1 1 1 1 1 0 0 1 1 1 1 3 18 3 1 3 0 1 1 1 1 15 1 1 1 1 0 0 0 0 0 0 0 0 7 0 1 0 1 0 1 0 0 0 1 1 0 1 1 4 3 4 2 1 0 1 1 1 0 1 1 0 1 5 50 2 2 1 1 2 3 0 0 1 0 0 0 1 3 13 1 3 0 1 1 1 100 2 5 1 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 1 0 0 1 0 1 0 1 1 2 2 6 35 3 3 1 1 1 1 1 8 8 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 dd 2H J 31 50 \| 77 77 dd 2H J 31 50 \| 73 73 m 2H \| 68 67 m 2H \| 66 66 dq 1H J 12 130 \| 62 61 dt 1H J 42 137 \| 58 58 s 1H \| 51 50 dd 2H J 13 42	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc2ccccc2n(-c2ccc3c(c2)OCCO3)c1=O	ir: 3 5 11 26 15 34 12 7 4 21 5 2 3 7 6 2 8 4 4 1 3 6 5 2 6 3 3 2 2 5 4 1 6 4 7 5 2 8 4 3 3 4 9 76 6 7 4 2 3 70 5 2 5 28 36 18 4 6 10 1 2 8 3 1 4 6 6 12 20 8 8 23 10 5 7 5 4 15 45 9 5 4 2 2 3 32 1 2 5 16 3 2 5 10 2 1 3 3 4 6 6 5 53 18 5 3 1 2 4 3 1 17 6 8 3 6 5 4 2 2 4 3 3 10 14 4 3 4 5 4 2 5 4 2 16 3 3 6 11 2 3 2 3 4 6 4 79 9 15 7 52 28 4 3 2 5 7 4 2 3 2 1 9 12 3 0 1 3 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 4 3 1 2 4 3 3 2 4 3 2 3 4 3 6 18 6 19 35 100 8 6 7 3 3 2 1 3 3 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 3 2 1 1 3 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 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 3; 1HNMR: 80 79 dd 1H J 12 84 \| 79 79 dd 1H J 14 67 \| 77 76 ddd 1H J 11 66 77 \| 74 74 ddd 1H J 14 74 86 \| 72 72 dd 1H J 22 86 \| 71 70 d 1H J 22 \| 69 68 d 1H J 86 \| 44 43 q 2H J 71 \| 43 42 m 4H \| 11 10 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H](NC(=O)c1cc(C(=O)O)n2c1COCC2)c1ccc(C(F)(F)F)nc1	ir: 2 0 1 1 1 1 0 1 1 0 2 0 0 2 5 1 1 2 1 1 1 6 25 8 4 1 1 1 0 2 0 0 0 1 1 0 1 3 1 0 0 1 1 0 0 1 3 7 4 1 0 1 1 0 0 2 2 1 0 1 1 1 0 0 0 0 0 4 1 0 1 1 0 0 1 1 1 3 20 1 0 2 1 0 0 1 0 2 2 1 1 0 1 0 0 1 0 0 4 3 0 1 10 0 0 0 0 0 0 0 0 0 1 2 1 2 2 1 1 2 1 0 1 1 1 1 0 1 0 0 0 0 0 0 1 0 1 3 9 0 0 1 5 1 2 1 0 1 6 0 6 0 0 1 0 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 0 4 3 2 2 1 0 0 0 1 11 100 3 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 dd 1H J 7 19 \| 77 76 ddd 1H J 7 20 74 \| 76 75 dq 1H J 21 73 \| 72 71 d 1H J 91 \| 71 71 s 1H \| 50 50 m 1H \| 48 48 d 1H J 137 \| 47 47 d 1H J 137 \| 42 42 m 2H \| 38 38 m 2H \| 21 20 m 1H \| 18 17 m 1H \| 10 9 td 3H J 15 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)CS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1	ir: 9 4 2 3 2 10 6 4 4 4 2 2 4 6 11 5 11 4 22 30 21 35 4 9 15 12 3 2 1 1 1 1 2 1 1 3 2 1 1 1 1 2 5 4 2 1 1 1 1 1 1 1 2 6 5 7 2 0 2 3 7 1 3 4 3 15 17 4 2 1 2 2 6 13 6 6 23 21 31 18 14 18 23 16 22 11 18 5 8 8 4 3 1 2 2 2 2 3 4 3 2 2 5 4 6 4 6 2 1 4 10 13 4 2 1 2 2 2 6 4 3 4 5 7 11 13 2 3 5 6 12 4 2 7 13 1 2 2 1 1 1 1 1 1 1 1 2 3 8 2 4 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 4 6 2 1 1 2 4 13 17 8 8 13 6 5 2 2 2 5 4 9 58 100 32 4 1 0 2 2 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 80 d 1H J 96 \| 80 79 d 1H J 21 \| 79 78 dd 1H J 22 95 \| 36 35 s 1H \| 34 34 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.
CC(N[S@](=O)C(C)(C)C)c1cccc(OCC(F)(F)F)n1	ir: 5 1 2 1 1 1 2 2 1 2 12 1 0 0 1 0 0 1 1 2 1 1 1 0 1 1 1 2 1 1 1 0 1 5 4 1 1 1 1 2 2 3 3 4 5 4 8 100 7 12 9 7 4 4 4 3 1 2 1 1 1 5 1 1 2 2 2 5 10 2 7 1 3 2 1 1 4 10 1 2 2 2 3 1 1 1 0 1 1 2 4 3 3 3 2 2 1 1 1 2 6 6 22 22 5 11 5 3 3 3 5 13 10 2 0 1 2 1 1 3 4 2 0 2 2 22 2 3 7 5 2 1 1 0 0 2 1 3 15 1 0 0 0 1 8 1 1 1 0 0 0 1 1 1 2 11 2 0 0 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 2 1 1 0 1 1 1 0 0 1 1 1 5 7 5 3 60 3 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 1 5 13 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; 1HNMR: 76 75 t 1H J 78 \| 74 73 dt 1H J 9 79 \| 69 68 dd 1H J 13 77 \| 50 49 q 2H J 130 \| 46 45 m 1H \| 34 33 d 1H J 79 \| 18 18 d 4H J 55 \| 12 12 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CC(=O)CC[C@@H]1C	ir: 8 4 0 4 9 5 1 5 7 12 26 9 11 13 19 23 8 4 2 6 6 2 2 6 11 11 3 7 6 2 1 6 6 2 2 6 5 1 2 7 5 5 8 12 5 1 5 7 4 1 3 7 4 1 8 13 9 3 7 6 4 0 4 7 5 2 6 13 14 4 6 8 7 2 6 6 3 2 5 6 2 2 6 6 2 2 5 8 6 4 6 10 3 7 6 6 3 4 15 6 4 10 40 37 6 5 13 10 20 8 24 13 27 16 15 10 13 11 13 23 19 16 35 33 21 14 15 9 5 6 9 5 8 16 6 6 3 6 6 3 3 6 20 100 68 15 17 5 5 8 5 1 3 7 5 2 3 6 4 1 3 6 4 1 3 7 4 0 3 7 4 0 3 7 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 2 1 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 6 4 1 2 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 2 5 6 3 2 4 5 2 3 5 5 2 2 5 5 2 2 6 5 2 3 7 6 3 6 13 12 6 9 16 21 6 9 13 23 11 10 26 26 18 16 8 4 3 4 6 3 2 4 6 3 1 4 5 3 2 4 5 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 4 1 3 5 4 1 3 6 3 1 3 6 3 1 3 6 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 5 3 1; 1HNMR: 25 23 m 3H \| 23 22 dd 1H J 80 155 \| 19 18 pt 1H J 53 81 \| 18 17 dddd 1H J 48 59 84 130 \| 16 14 m 2H \| 10 9 dd 6H J 79 179	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OCC(O)CSc1nc2cc[nH]c2c(=O)n1-c1ccc(OCC(F)(F)F)cc1	ir: 8 5 4 4 3 4 6 6 12 8 15 7 5 3 5 4 5 4 4 4 3 3 4 4 3 4 5 5 4 3 3 3 4 4 6 4 3 9 5 3 10 37 69 3 4 5 5 4 7 4 15 3 3 4 5 8 7 4 4 2 3 3 3 2 3 4 4 4 4 7 3 3 5 5 5 11 4 5 3 3 6 8 3 4 14 12 21 24 5 9 9 4 7 3 3 3 3 3 3 4 6 5 10 5 5 8 10 14 4 3 3 3 3 4 4 4 4 4 3 6 4 5 5 4 5 4 6 8 5 5 19 4 4 3 2 3 4 8 3 3 4 2 3 3 5 7 3 4 67 11 4 6 6 3 4 5 9 0 3 69 2 7 4 1 2 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 3 4 4 5 5 5 9 4 8 29 6 24 7 5 6 7 7 100 13 5 4 3 3 3 3 3 3 3 3 3 3 3 3 8 5 4 18 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 100 99 d 1H J 62 \| 75 74 m 3H \| 70 70 m 2H \| 65 64 d 1H J 42 \| 48 47 d 1H J 130 \| 47 47 d 1H J 130 \| 40 39 h 1H J 55 \| 38 36 m 2H \| 35 34 m 2H \| 34 33 dd 1H J 56 129 \| 32 31 dd 1H J 57 128 \| 12 11 dd 6H J 20 53	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)N1	ir: 4 5 3 7 7 9 5 5 3 4 3 6 6 6 10 3 12 8 8 15 3 10 3 9 12 5 3 4 12 9 50 24 64 45 27 5 28 13 4 8 3 3 3 3 3 2 5 10 6 5 3 6 5 17 30 45 14 3 3 3 2 1 4 12 8 24 11 33 8 2 2 1 1 1 1 1 1 3 2 2 2 3 6 10 2 3 4 5 3 5 8 3 3 2 2 3 6 3 5 3 3 4 7 5 2 5 7 3 4 4 5 7 6 5 6 4 5 4 15 16 12 19 14 37 21 9 5 21 15 17 9 17 24 16 8 14 9 6 9 17 12 8 16 20 27 57 17 16 8 14 27 9 58 71 40 16 16 13 5 3 3 9 3 3 2 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 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 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 4 3 3 3 3 5 7 6 4 3 7 5 8 0 26 8 28 59 34 16 10 5 4 4 3 3 2 2 3 2 2 2 3 4 2 3 2 3 5 6 4 13 89 100 13 5 3 5 4 2 2 1 3 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 d 1H J 21 \| 80 80 d 1H J 86 \| 77 77 dd 1H J 22 86 \| 72 71 s 1H \| 48 47 s 1H \| 30 29 d 1H J 174 \| 28 28 d 1H J 174 \| 15 14 d 6H J 152	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(-c2ccccc2)nc2c[n+]([O-])c3ccccc3c21	ir: 7 3 0 3 5 3 1 4 7 8 16 9 5 4 1 4 5 4 1 8 17 18 3 10 6 2 3 7 6 18 31 16 11 8 15 12 10 32 20 19 30 44 34 47 16 89 34 11 7 1 3 5 3 0 3 5 3 0 3 5 2 3 5 5 3 2 6 11 45 4 3 5 3 4 13 12 4 6 15 6 3 3 18 5 3 4 7 5 9 2 4 3 1 2 5 5 3 8 6 4 2 5 5 4 1 2 5 3 0 4 9 4 2 13 9 4 2 4 6 13 2 5 6 3 4 14 16 7 10 23 8 3 11 100 68 9 15 23 9 7 24 9 31 4 13 26 26 10 12 14 4 4 51 5 4 1 7 5 4 1 2 8 84 13 3 8 7 2 3 5 3 1 3 5 2 1 3 5 2 1 3 4 3 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 1 3 4 2 2 3 4 2 2 4 3 2 2 3 3 2 3 4 3 3 3 5 3 2 3 5 4 2 2 5 4 4 7 15 12 87 66 71 73 26 35 11 12 3 6 6 6 3 4 5 2 2 3 4 3 2 4 4 2 2 3 4 2 2 4 4 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 2 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 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1; 1HNMR: 76 74 m 6H \| 53 53 s 1H \| 38 38 dd 1H J 16 57 \| 35 35 dd 1H J 16 63 \| 30 29 s 3H \| 28 28 ddd 1H J 16 46 60 \| 24 23 ddd 1H J 16 46 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21	ir: 1 4 6 3 1 4 4 3 1 3 4 2 6 4 13 8 1 3 3 1 1 2 3 2 1 2 3 1 1 3 8 1 2 6 7 0 11 29 4 3 27 6 6 1 2 3 2 1 2 4 3 1 3 21 13 46 6 4 3 4 2 4 6 1 5 3 4 30 10 4 2 8 3 3 7 2 6 4 2 2 2 12 1 2 2 5 4 5 3 3 2 2 3 3 2 2 3 7 4 3 5 3 1 2 4 2 1 2 4 3 3 4 4 5 1 2 4 4 4 11 7 31 8 3 3 3 3 3 5 6 35 6 10 19 5 3 2 2 6 8 6 21 5 4 4 9 7 36 9 100 6 22 4 2 2 2 2 5 3 5 9 2 6 2 2 1 2 2 2 1 2 2 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 2 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 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 4 2 2 2 2 3 3 3 3 2 3 3 5 6 15 21 30 79 22 9 6 2 6 6 2 2 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 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 78 78 d 1H J 89 \| 77 76 d 1H J 7 \| 75 75 d 1H J 21 \| 74 74 dd 1H J 20 90 \| 74 73 m 2H \| 73 72 m 2H \| 51 51 m 1H \| 38 37 dq 1H J 62 113 \| 37 36 dq 1H J 62 112 \| 25 24 dd 1H J 53 141 \| 22 21 dd 1H J 53 141 \| 14 14 s 3H \| 14 14 s 3H \| 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.
COc1nc(C)c(C)cc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1	ir: 0 1 0 0 0 0 0 1 1 1 3 1 1 0 0 0 1 0 0 0 0 1 0 1 1 6 1 0 2 2 1 1 1 0 1 2 3 22 16 8 1 4 8 5 4 4 6 4 1 0 0 0 0 0 0 2 0 1 1 1 1 2 2 1 6 4 3 2 9 6 2 1 5 5 3 2 0 0 0 0 0 1 0 0 0 0 0 0 3 2 0 0 1 1 2 1 5 4 4 2 1 2 1 1 0 0 0 1 2 6 2 1 2 2 1 1 2 1 2 3 3 1 0 0 1 0 2 2 3 2 2 3 5 2 1 4 6 14 5 3 2 8 100 10 1 1 3 6 1 0 1 5 22 2 1 1 1 0 0 2 3 2 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 1 1 1 1 1 1 3 7 4 7 21 2 2 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 1 1 5 10 7 6 3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 s 1H \| 74 74 s 1H \| 66 66 d 2H J 20 \| 65 64 m 1H \| 40 40 s 3H \| 36 35 m 5H \| 33 33 m 5H \| 24 24 s 3H \| 23 23 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(C(=O)C=CC(=O)O)cn1	ir: 1 1 1 1 1 1 1 1 1 2 8 2 4 1 1 1 1 1 1 1 1 3 9 8 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 9 11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 11 2 4 5 4 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 2 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 10 5 2 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 1 1 1 1 0 100 79 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 s 1H \| 79 79 s 1H \| 74 74 d 1H J 168 \| 69 68 d 1H J 170 \| 40 39 s 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCNc1c(C(C)C)cccc1C(C)C	ir: 14 11 11 4 3 4 5 4 8 10 20 13 19 5 4 3 7 12 14 19 8 16 21 26 29 29 9 13 16 9 11 6 7 7 7 8 5 4 5 5 27 12 5 6 3 0 64 21 5 11 7 0 2 4 7 3 5 7 2 2 10 1 9 2 9 6 4 9 10 22 26 45 6 11 6 8 5 2 3 3 2 4 3 3 2 1 1 2 2 4 5 4 10 14 6 1 3 12 19 6 6 3 2 4 3 4 5 5 12 14 8 7 12 27 21 23 6 16 8 9 10 12 8 4 9 11 5 21 18 11 20 18 11 3 7 4 19 15 25 9 21 24 12 37 65 100 16 7 32 31 6 2 4 3 3 1 1 8 8 3 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 4 1 2 3 2 2 3 7 3 7 14 16 8 15 31 33 54 51 66 16 11 17 6 7 7 7 6 4 2 1 3 2 2 4 6 3 9 7 8 14 22 22 86 82 59 29 24 14 6 5 7 5 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 71 71 m 2H \| 70 69 dd 1H J 78 85 \| 59 58 ddt 1H J 49 100 168 \| 53 53 m 1H \| 53 52 dq 1H J 11 170 \| 47 47 t 1H J 53 \| 40 39 m 2H \| 30 29 dtd 2H J 7 65 132 \| 13 13 d 12H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)C1=C(O)CC(c2c(C)c(CC#N)c(C)c(C(C)=O)c2C)CC1=O	ir: 4 5 11 10 4 7 7 13 7 8 7 10 9 5 3 5 9 8 9 5 8 10 6 6 8 5 8 7 9 4 8 5 5 9 7 4 8 12 12 13 13 29 21 30 33 52 10 18 9 12 13 29 10 21 20 19 25 21 15 40 14 10 5 6 6 5 19 12 5 13 14 21 11 7 5 7 4 4 4 3 3 4 4 5 5 3 6 5 5 8 25 23 6 6 4 5 8 7 7 5 4 6 9 23 8 48 44 33 17 9 5 5 4 10 7 6 7 6 11 15 15 11 7 7 8 17 10 12 10 11 8 8 13 23 8 5 5 8 8 16 14 21 11 11 9 10 41 62 20 7 4 5 4 3 4 33 7 75 14 6 4 4 4 3 3 2 3 4 3 2 3 4 3 2 3 5 3 0 4 92 3 6 3 2 3 3 3 2 3 3 3 3 3 3 3 3 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 4 3 4 3 3 3 3 3 3 3 3 3 3 3 4 6 4 4 5 5 8 9 9 10 8 7 11 13 23 33 21 22 8 19 52 100 31 15 13 6 7 4 4 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 39 39 s 2H \| 34 33 p 1H J 71 \| 33 32 dd 1H J 70 157 \| 30 29 dd 1H J 70 156 \| 29 28 dd 1H J 71 154 \| 28 27 q 2H J 81 \| 27 26 dd 1H J 71 154 \| 25 25 s 3H \| 24 24 d 7H J 77 \| 22 22 s 3H \| 12 11 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(CBr)(OC)c1ccccc1Cl	ir: 2 2 2 1 2 2 2 1 1 0 1 2 1 0 0 1 4 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 1 1 1 3 3 4 9 5 5 71 100 25 3 1 1 0 1 1 0 0 0 1 0 0 0 1 1 0 1 2 10 4 1 0 3 6 6 2 2 8 2 3 4 5 2 1 1 1 9 2 1 0 1 1 2 2 12 3 4 1 1 1 0 0 1 1 2 7 7 1 1 2 2 3 5 25 6 11 5 2 0 2 0 2 3 3 3 22 5 3 2 2 3 10 3 1 1 1 1 1 1 1 1 2 11 19 2 1 9 8 2 1 1 1 1 1 53 4 1 1 1 1 1 0 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 2 5 1 1 0 1 2 2 3 16 9 25 76 57 12 1 1 1 1 1 0 0 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 15 70 \| 74 74 dd 1H J 15 73 \| 73 73 td 1H J 15 71 \| 73 72 td 1H J 14 72 \| 40 39 s 2H \| 35 34 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(=O)Nc1ccc(C)c(C)c1	ir: 2 2 2 3 3 2 2 2 2 3 2 3 5 3 2 11 14 4 3 2 1 2 3 2 3 3 2 4 8 4 3 5 3 6 8 12 13 16 6 6 4 5 3 3 2 3 5 7 5 2 4 3 4 9 19 16 5 2 2 2 3 2 2 3 4 9 5 3 7 6 5 2 2 3 2 2 2 2 2 2 2 1 2 2 2 2 3 2 2 2 2 2 2 2 10 10 5 3 4 2 2 2 2 2 2 17 5 2 3 2 2 3 9 8 5 4 4 4 5 4 4 2 2 2 2 4 4 3 4 5 3 3 2 2 1 1 1 2 2 1 1 2 3 6 5 47 100 15 5 9 7 20 9 1 24 29 3 1 1 2 2 0 31 63 3 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 3 2 2 3 2 3 3 4 2 2 2 3 4 6 7 4 16 17 11 9 3 2 2 2 2 3 4 3 2 1 2 2 1 1 2 3 3 3 7 17 39 50 13 7 4 3 3 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 s 1H \| 76 75 dd 1H J 22 81 \| 74 74 d 1H J 22 \| 70 70 dq 1H J 10 79 \| 23 23 d 3H J 9 \| 23 22 t 2H J 62 \| 22 22 s 3H \| 17 16 qt 2H J 62 75 \| 10 9 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=CCc2cccc(N3CCN(CCCCOc4ccc5c(n4)NC(=O)CC5)CC3)c2C1	ir: 8 10 16 11 16 12 12 12 14 10 9 12 9 10 12 14 12 16 11 8 10 10 9 7 8 8 9 9 16 16 22 27 10 12 18 29 62 47 12 13 24 11 9 12 8 43 20 8 10 15 40 0 42 28 13 22 12 22 14 14 17 17 15 14 12 28 15 12 11 12 8 9 11 8 8 9 12 12 15 54 18 11 9 10 17 18 19 10 13 11 10 21 13 12 11 10 12 27 19 9 15 12 17 11 13 12 13 10 12 11 8 9 11 15 14 47 12 13 11 9 12 15 11 9 10 7 8 10 11 8 8 12 17 15 9 14 24 56 30 16 16 10 9 9 8 8 8 27 13 11 43 49 16 35 44 100 45 28 18 80 13 9 7 7 7 8 7 8 7 7 7 7 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 8 8 8 9 9 19 12 10 8 10 11 10 11 10 26 33 20 41 82 66 21 12 9 8 10 8 8 8 8 7 7 8 8 7 7 8 8 8 11 10 23 15 42 31 52 23 14 11 11 9 8 8 8 7 7 8 7 7 7 7 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 96 95 s 1H \| 73 72 dt 1H J 8 89 \| 72 71 m 1H \| 69 68 dq 1H J 10 82 \| 66 65 dd 1H J 11 77 \| 65 65 d 1H J 88 \| 52 51 tt 1H J 9 55 \| 43 42 t 2H J 69 \| 39 38 q 2H J 10 \| 37 37 s 2H \| 34 33 dq 2H J 9 55 \| 33 32 m 4H \| 31 30 ddd 2H J 8 70 79 \| 28 27 m 6H \| 25 24 t 2H J 60 \| 19 18 dq 2H J 73 81 \| 16 16 tt 2H J 62 84	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cccc(F)c1)N1CCC(O)CC1	ir: 0 1 2 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 5 6 1 1 0 0 0 1 1 1 0 4 5 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 2 3 1 3 1 0 1 1 2 0 1 1 1 1 1 1 2 1 4 5 2 15 1 2 3 2 1 1 1 2 1 0 0 1 1 0 1 0 0 1 1 1 1 1 0 0 1 1 2 1 3 0 2 4 1 2 3 2 2 1 1 1 1 0 0 0 0 1 4 5 0 0 1 4 1 0 0 0 0 1 19 2 1 0 0 1 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 3 1 2 1 1 1 1 1 1 2 4 4 3 10 7 4 2 2 3 9 32 100 11 5 4 4 2 0 1 1 1 1 1 2 0 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 2H \| 76 75 td 1H J 51 81 \| 74 73 dddd 1H J 13 21 79 101 \| 39 38 h 1H J 49 \| 38 37 ddd 2H J 64 92 123 \| 34 33 ddd 2H J 64 91 122 \| 32 32 d 1H J 49 \| 22 21 dddd 2H J 51 64 92 130 \| 20 19 dddd 2H J 51 64 92 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)[C@]1(Cc2ccccc2)CCCN1	ir: 1 0 1 1 3 2 1 1 2 5 2 2 4 1 4 8 6 12 3 4 1 1 4 7 5 6 3 1 2 3 5 6 13 10 14 3 4 7 4 2 3 18 8 3 2 2 2 2 4 1 2 3 4 3 7 4 3 3 3 4 2 2 2 2 2 2 12 8 9 7 5 3 3 6 3 2 2 2 4 4 8 5 2 1 1 1 2 2 4 6 4 3 3 1 2 2 2 1 2 4 5 3 3 1 0 1 1 1 1 1 1 2 3 9 11 4 3 3 2 3 1 3 4 7 5 2 1 2 1 2 2 2 1 2 2 10 1 0 0 1 1 1 1 6 5 20 2 1 1 0 1 2 3 1 1 0 6 45 18 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 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 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 1 1 1 1 0 1 1 4 6 8 20 8 5 2 0 0 1 1 0 1 1 0 0 0 1 1 1 5 6 11 35 3 3 0 0 1 1 1 1 2 24 100 25 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H \| 73 72 m 3H \| 68 67 s 2H \| 34 33 t 1H J 30 \| 31 31 m 1H \| 30 29 m 1H \| 29 28 m 2H \| 22 21 m 1H \| 20 19 m 2H \| 18 17 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(CNc2ccccc2)c2ccccc21	ir: 2 2 8 5 13 39 36 4 5 2 6 23 28 6 3 3 2 1 1 1 0 1 2 1 1 2 1 1 1 3 4 1 1 1 1 0 2 2 2 5 6 30 29 3 3 1 4 4 1 1 1 1 0 1 2 5 3 1 1 1 1 1 3 5 4 4 4 12 9 9 3 1 2 2 2 2 6 7 1 6 3 1 1 1 1 1 0 0 1 1 1 2 2 3 1 2 1 1 2 4 2 10 5 4 20 17 7 4 1 1 1 1 1 0 1 1 3 4 4 8 3 1 1 3 3 3 8 7 2 2 1 1 1 5 14 6 3 3 3 9 28 2 2 10 9 36 69 21 7 1 7 10 8 21 6 2 1 1 1 1 3 14 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 0 0 1 1 1 0 0 0 1 1 1 1 1 0 2 4 8 7 21 100 27 16 20 6 3 2 2 2 1 1 1 1 1 1 3 3 2 2 5 4 6 9 7 55 89 36 9 1 2 4 4 1 1 1 1 2 3 2 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dd 1H J 13 70 \| 73 73 dd 1H J 12 82 \| 73 71 m 4H \| 71 71 s 1H \| 68 68 tt 1H J 12 70 \| 67 67 m 2H \| 54 53 t 1H J 47 \| 46 46 dd 2H J 9 47 \| 37 37 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC(C)CCc1ccc(Oc2ncc(OC(C)C)cn2)cc1	ir: 1 1 4 2 2 2 5 3 3 2 3 4 2 2 1 1 0 2 3 3 2 4 2 1 1 2 5 7 5 2 7 39 12 5 2 9 3 4 2 1 1 2 1 0 1 1 2 0 3 8 3 7 10 26 30 25 14 13 11 4 5 2 2 2 1 2 3 2 4 23 2 1 3 3 2 2 3 4 1 4 2 2 1 1 2 1 2 1 1 1 1 1 3 2 3 4 2 2 2 5 1 1 2 1 6 6 4 4 2 2 2 2 3 3 2 5 4 5 3 4 2 4 5 7 5 12 17 59 2 4 2 3 1 3 2 3 2 1 2 2 3 11 54 18 21 100 22 16 19 10 3 3 22 2 1 1 1 0 1 5 10 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 2 3 1 1 1 1 1 1 2 2 2 2 3 3 12 9 18 10 16 7 11 6 2 4 2 2 1 1 1 1 0 1 1 2 1 2 1 3 6 8 9 10 12 21 9 4 2 2 2 1 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 81 81 s 2H \| 70 69 m 4H \| 65 64 d 1H J 81 \| 48 47 hept 1H J 57 \| 40 39 dh 1H J 56 81 \| 28 27 dtt 1H J 9 84 142 \| 27 26 dtt 1H J 8 83 142 \| 20 19 s 2H \| 19 18 m 1H \| 17 16 dtd 1H J 53 83 138 \| 13 13 d 6H J 57 \| 12 12 d 3H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)NCc1cccc(-c2ccc(C(C)(C)CCCNC(=O)C(C)(C)C)cc2OC)c1	ir: 3 3 3 2 1 3 2 2 1 3 1 1 1 1 2 4 0 2 3 4 3 9 7 16 36 15 6 3 3 2 3 21 17 15 51 62 26 15 100 34 19 15 7 4 6 3 5 28 28 9 3 4 3 13 12 12 18 1 4 4 5 6 9 3 6 2 8 19 17 19 7 6 10 5 3 1 3 7 2 2 2 3 5 3 3 6 3 1 6 7 5 5 6 4 3 3 5 2 3 4 1 2 9 5 2 2 1 2 4 3 7 10 4 14 4 9 4 7 9 6 18 20 7 22 10 9 7 7 6 9 12 6 4 3 2 2 3 7 1 43 41 14 10 15 24 49 90 9 22 51 99 16 6 3 3 5 8 2 1 2 3 1 1 2 7 5 2 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 0 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 2 2 2 4 3 1 4 5 4 2 2 2 2 9 7 29 19 18 13 92 36 24 3 2 3 4 3 3 4 2 2 2 2 2 3 3 3 2 5 17 16 24 84 76 71 26 28 14 6 3 2 0 1 1 0 1 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1; 1HNMR: 76 75 tq 1H J 8 19 \| 75 74 m 2H \| 74 73 m 2H \| 71 71 dd 1H J 22 81 \| 69 68 d 1H J 21 \| 62 61 t 1H J 33 \| 58 57 t 1H J 55 \| 56 56 t 1H J 38 \| 44 43 dt 2H J 9 54 \| 39 38 s 2H \| 32 31 m 5H \| 18 17 m 4H \| 13 13 s 5H \| 12 11 t 3H J 62 \| 12 12 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(-c2nc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)CC4)no2)cc1C#N	ir: 2 1 1 1 1 2 1 1 2 2 6 6 5 3 2 4 5 2 1 1 1 1 6 6 5 1 3 3 2 1 1 1 1 1 1 1 1 1 3 1 4 0 1 1 1 0 0 1 1 0 1 1 1 0 7 3 1 3 2 2 0 1 1 1 0 1 1 2 5 2 1 1 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 4 3 1 1 1 1 1 1 1 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 3 3 1 1 7 3 3 2 2 4 1 2 1 1 3 2 8 6 2 1 1 1 1 1 3 8 100 19 2 0 2 1 0 0 1 1 0 3 20 4 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 2 9 18 8 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 d 1H J 22 \| 79 78 dd 1H J 22 92 \| 77 76 dd 1H J 22 86 \| 75 75 dt 1H J 9 20 \| 72 72 dt 1H J 9 92 \| 72 71 d 1H J 86 \| 42 42 q 2H J 63 \| 37 36 dt 4H J 66 167 \| 29 28 dtd 4H J 8 65 226 \| 15 14 t 3H J 62 \| 15 14 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2C(=O)N1Cc1nc2nc(Cl)nc(N3CCOCC3)c2s1	ir: 1 2 2 1 1 0 1 0 0 1 1 0 0 1 2 0 0 1 1 0 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 9 5 6 9 5 1 2 2 0 1 1 2 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 3 1 1 0 1 2 1 0 1 1 0 1 3 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 2 2 1 1 0 0 1 1 0 0 1 3 0 1 1 1 0 1 1 1 2 3 2 1 1 3 2 1 0 1 1 1 3 1 5 2 2 1 3 1 8 1 1 1 3 0 0 1 1 1 5 10 1 100 1 2 22 2 4 0 0 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 1 0 3 1 1 6 4 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 78 dd 2H J 31 51 \| 77 77 dd 2H J 31 51 \| 52 52 s 2H \| 39 38 m 4H \| 37 36 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21	ir: 1 4 3 2 1 1 2 1 2 1 1 1 1 1 2 8 2 1 1 1 1 1 1 1 2 3 6 2 6 2 3 2 5 4 17 15 10 0 4 13 5 2 39 3 2 4 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 3 2 1 1 1 1 1 1 2 6 3 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 2 1 1 1 3 1 2 1 2 1 2 4 2 3 4 2 1 1 1 3 2 1 4 5 2 1 1 1 1 1 1 1 1 1 9 8 8 2 1 12 4 13 46 6 10 15 3 40 100 10 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 3 2 4 4 5 3 3 11 6 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 4 3 7 15 95 10 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 m 2H \| 77 76 ddd 2H J 7 15 77 \| 76 75 td 2H J 12 77 \| 74 74 td 2H J 14 78 \| 62 61 q 1H J 49 \| 55 54 d 1H J 78 \| 44 44 d 2H J 49 \| 43 42 m 2H \| 28 27 d 3H J 49 \| 17 15 m 2H \| 14 13 m 1H \| 9 9 m 3H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(Nc2ccc(C3CCN(C)CC3)nc2)nc1CCc1ccccc1CC(N)=O	ir: 0 1 1 1 3 3 2 2 3 2 5 3 1 2 2 3 3 3 4 5 3 9 13 5 7 6 12 7 43 49 6 6 8 6 3 6 7 3 6 16 21 8 9 8 2 1 3 5 3 4 2 4 4 8 7 1 2 2 2 1 1 4 1 1 1 1 1 1 3 2 7 1 2 1 2 2 8 5 1 1 4 5 1 1 2 3 1 2 5 3 4 2 5 3 2 2 3 2 3 5 4 6 1 2 3 5 3 3 2 2 0 1 2 1 1 2 1 1 2 3 3 1 1 1 2 2 4 4 2 1 1 2 1 2 4 5 17 17 3 4 3 14 90 5 3 2 21 9 31 60 11 41 5 3 9 1 6 100 6 1 1 1 2 10 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 2 1 1 1 1 2 2 4 3 5 6 10 8 2 1 1 1 0 0 0 0 1 1 0 1 1 1 0 3 15 3 3 4 1 4 5 40 32 18 3 5 19 33 5 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 90 d 1H J 20 \| 86 86 s 1H \| 82 82 s 1H \| 75 74 dd 1H J 20 82 \| 73 72 tt 1H J 9 48 \| 73 72 m 3H \| 71 70 ddt 1H J 9 39 66 \| 66 65 s 2H \| 35 34 d 2H J 10 \| 32 31 td 2H J 10 77 \| 31 30 m 3H \| 30 29 ddd 2H J 67 94 119 \| 26 25 ddd 2H J 67 94 119 \| 24 23 d 5H J 149 \| 22 21 dddd 2H J 55 68 95 141 \| 20 19 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1(C=O)CCc2cc(C3CCCCC3)c(Cl)cc21	ir: 11 14 10 13 28 51 43 8 14 6 5 6 2 4 0 3 2 3 3 2 2 3 3 2 2 1 2 4 13 7 4 2 7 7 2 2 3 1 3 5 2 3 2 2 6 2 4 3 5 2 2 2 3 1 11 14 3 9 5 6 2 2 3 8 3 5 4 17 25 22 12 4 1 1 3 9 3 2 11 5 3 1 1 1 1 3 2 2 2 4 9 24 30 17 19 14 4 4 13 12 15 21 8 14 17 14 13 9 5 13 21 38 100 89 16 14 9 12 11 8 11 4 5 5 9 4 9 5 5 4 6 3 2 12 4 0 0 2 3 2 5 27 10 18 34 61 28 18 13 10 42 37 13 64 8 4 2 0 1 1 1 0 0 1 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 0 1 0 1 1 1 1 1 1 2 2 2 2 2 4 9 13 15 6 6 5 6 7 16 31 29 5 13 58 23 2 4 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 99 98 t 1H J 9 \| 74 74 s 1H \| 73 72 q 1H J 9 \| 38 37 s 2H \| 33 33 dddd 1H J 9 48 68 145 \| 32 31 dddd 1H J 8 49 66 145 \| 29 29 m 1H \| 28 27 dddd 1H J 9 49 68 137 \| 25 24 dddd 1H J 8 48 66 136 \| 20 19 m 2H \| 17 16 m 4H \| 16 14 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)COc1ccccc1CCNC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1	ir: 3 3 3 2 5 3 2 3 2 2 2 1 2 1 4 2 1 2 1 1 4 3 3 3 9 8 6 8 4 3 2 1 1 1 1 3 2 2 2 4 24 27 30 17 64 8 5 0 2 4 4 2 2 3 2 1 3 3 2 1 1 2 2 1 7 4 7 3 3 3 5 2 3 3 6 2 2 2 1 1 2 2 2 6 8 2 1 1 2 1 5 2 13 2 1 2 2 2 1 1 2 4 3 4 3 1 1 1 2 2 2 2 6 2 10 2 3 4 2 5 6 15 3 4 7 15 2 4 6 2 1 2 2 2 1 1 15 19 2 2 1 6 29 24 24 14 13 5 35 16 5 1 2 2 2 3 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 1 1 2 2 2 2 11 2 5 7 10 6 8 2 2 2 1 1 2 2 1 1 3 3 2 1 2 2 1 3 2 4 5 12 21 20 100 6 4 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: 77 76 t 1H J 49 \| 76 76 s 1H \| 75 75 s 1H \| 72 72 ddd 1H J 20 73 80 \| 71 70 m 2H \| 69 68 dd 1H J 12 81 \| 46 45 s 2H \| 38 37 s 3H \| 37 36 q 2H J 53 \| 29 28 td 2H J 8 54	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC1CCC(Oc2ncnc3sc4c(c23)[C@H](CCOS(C)(=O)=O)CCC4)CC1	ir: 4 5 14 11 12 5 6 5 9 5 8 1 1 2 4 7 5 4 7 3 2 2 3 1 2 3 13 15 42 44 9 14 3 4 6 2 5 9 9 74 17 3 11 19 10 1 2 3 9 4 2 3 4 2 3 2 4 8 6 2 6 5 4 3 4 3 3 2 4 7 13 11 9 13 7 7 6 4 6 2 3 2 1 1 2 2 3 27 45 23 17 7 4 3 7 40 42 38 43 19 39 36 33 27 8 3 2 4 14 4 11 16 32 12 11 7 2 5 12 22 5 7 14 14 8 8 5 12 14 11 7 4 18 10 5 5 2 1 1 3 6 8 3 4 28 47 2 3 4 37 19 3 13 6 4 3 100 3 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 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 0 1 1 0 1 1 1 1 1 2 1 1 2 2 2 3 2 6 12 9 5 4 2 3 9 4 4 3 6 17 21 38 34 20 21 14 6 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 5 8 62 43 16 5 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 s 1H \| 49 48 p 1H J 55 \| 45 44 d 1H J 71 \| 42 41 dt 1H J 67 121 \| 41 40 dt 1H J 66 119 \| 37 36 dp 1H J 50 70 \| 31 30 tdd 1H J 37 65 73 \| 30 30 s 2H \| 29 28 m 2H \| 23 22 m 1H \| 21 17 m 12H \| 17 15 m 3H \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C(NS(=O)C(C)(C)C)C(F)(F)F)n1	ir: 4 1 1 1 1 2 1 1 1 1 1 4 2 1 1 1 2 4 1 1 2 1 1 4 5 7 3 2 1 1 4 4 9 13 14 3 0 1 2 4 14 2 3 1 3 16 8 13 2 1 1 1 1 1 2 1 1 0 3 5 1 2 1 1 6 0 1 1 2 9 1 1 1 1 1 0 2 3 1 2 1 1 1 1 0 1 0 1 0 1 1 2 1 0 1 1 1 2 3 1 6 8 1 1 1 2 1 2 3 4 5 9 12 9 3 4 4 2 2 2 7 2 2 1 4 7 4 4 2 1 1 2 4 2 1 1 2 2 5 4 4 2 1 1 3 3 1 0 0 0 1 1 1 0 1 21 3 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 3 2 6 4 3 59 6 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 6 12 100 5 2 3 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dd 1H J 68 75 \| 74 73 dt 1H J 9 68 \| 70 70 dt 1H J 8 75 \| 54 53 m 1H \| 48 47 dq 1H J 24 106 \| 25 24 d 3H J 8 \| 12 12 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2cnccc2C2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3Br)CCN12	ir: 25 14 25 5 8 15 9 6 11 13 12 5 12 7 10 18 3 3 5 7 31 23 24 4 1 5 44 2 2 4 6 2 2 4 5 4 15 3 7 2 43 9 6 23 12 3 7 7 3 4 3 4 16 24 26 24 14 18 3 1 9 13 12 5 11 67 18 10 19 18 29 1 5 5 3 9 6 2 65 21 10 6 55 22 65 28 57 100 28 7 19 15 9 9 4 8 9 7 26 29 26 28 13 3 5 3 1 6 5 3 0 45 90 71 9 11 9 16 21 10 8 3 0 4 16 15 41 19 3 3 7 7 4 9 6 4 3 3 24 5 3 3 2 1 1 2 2 4 3 18 8 1 8 30 30 85 10 4 5 28 17 2 2 3 2 0 1 3 2 0 2 3 2 0 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 3 3 2 3 4 3 6 9 20 16 9 10 18 99 52 7 5 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 89 89 d 1H J 14 \| 86 86 dd 1H J 14 49 \| 81 80 dq 1H J 9 19 \| 79 79 d 1H J 122 \| 77 77 ddq 1H J 13 25 121 \| 76 76 m 1H \| 48 47 td 1H J 7 42 \| 41 41 ddd 1H J 43 64 108 \| 39 38 m 2H \| 36 36 dd 1H J 42 117 \| 36 34 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cnc(Cl)c(NC2CC2)c1	ir: 2 2 3 5 39 32 2 5 6 8 11 6 100 40 8 8 8 4 28 28 4 6 12 13 20 68 73 33 45 4 3 4 3 3 2 3 9 21 17 7 6 14 6 6 3 3 3 2 2 2 3 3 2 3 2 2 2 2 2 1 2 3 2 3 2 4 3 25 26 10 7 6 3 3 3 2 2 3 2 2 2 3 8 6 3 3 13 22 12 6 3 3 2 3 7 5 3 3 26 30 6 5 2 2 2 2 2 2 2 2 3 21 2 2 3 2 2 2 3 2 10 3 15 13 0 3 5 2 5 10 28 51 99 13 9 15 16 6 0 5 4 0 0 4 5 1 1 8 4 0 7 23 5 6 5 10 4 1 3 10 7 58 71 1 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 8 18 8 6 4 14 29 59 8 5 23 15 3 3 2 2 3 3 2 2 3 2 3 2 3 4 22 18 14 9 19 46 73 58 5 2 3 4 3 2 3 2 1 2 2 2 2 2 3 3 1 2 2 2 1 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 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 1 2 2 2 1 2 2; 1HNMR: 82 81 dd 1H J 18 141 \| 70 70 dd 1H J 17 122 \| 63 62 d 1H J 78 \| 33 32 dp 1H J 46 79 \| 10 9 m 2H \| 8 7 dddd 2H J 8 46 81 89	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=O)(COCCCn1cnc2c(OCCOC)nc(N)nc21)OCC	ir: 9 8 7 10 0 6 3 3 5 6 6 6 5 6 9 11 23 11 5 10 7 12 15 20 13 11 5 5 4 4 9 5 7 5 4 4 5 3 8 9 9 28 27 16 5 9 18 2 8 15 5 9 3 7 3 6 6 10 5 5 4 2 5 2 7 5 12 12 13 10 5 4 10 13 15 7 12 14 12 17 15 15 6 4 4 3 1 1 1 1 2 2 2 3 4 3 2 2 5 5 1 4 4 3 1 2 3 4 4 9 5 5 8 3 5 6 1 5 7 4 4 4 5 7 7 10 13 15 4 5 5 3 3 3 5 8 4 3 8 10 5 17 15 9 33 24 14 11 8 8 7 4 38 7 3 6 36 9 3 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 3 3 3 3 3 2 1 2 3 1 3 5 6 9 3 2 1 2 2 1 1 2 3 1 1 1 2 1 2 2 2 2 6 16 19 12 5 3 3 3 2 2 1 4 6 37 100 29 2 2 3 2 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 79 t 1H J 9 \| 63 63 s 2H \| 46 45 t 2H J 53 \| 43 42 td 2H J 9 81 \| 42 41 dq 4H J 72 85 \| 38 37 m 4H \| 36 36 t 2H J 55 \| 34 34 s 2H \| 20 19 tt 2H J 56 81 \| 14 13 td 6H J 7 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2)CC1	ir: 3 5 5 3 5 2 3 3 3 2 3 8 3 3 1 2 3 1 1 7 3 1 17 13 2 3 2 3 4 6 8 2 3 4 3 1 1 3 4 0 20 32 13 15 38 2 2 8 5 0 31 44 6 4 2 9 7 1 3 6 3 7 5 5 3 0 6 5 8 7 3 10 5 1 2 6 2 5 4 3 23 20 6 6 15 18 6 3 2 2 3 2 2 2 2 15 9 3 7 6 4 14 19 7 2 3 5 10 5 3 2 3 2 2 3 2 2 2 2 2 2 3 3 4 15 14 8 5 3 3 2 2 8 9 6 8 8 6 11 14 1 3 4 7 12 8 4 3 3 2 3 4 8 2 28 5 2 9 53 3 5 15 100 77 4 1 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 2 1 2 3 2 2 3 5 4 11 11 64 28 9 4 3 2 1 3 2 2 1 1 2 2 1 2 2 1 1 2 2 8 13 11 7 45 25 4 9 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 dd 1H J 16 86 \| 75 75 td 1H J 16 79 \| 73 72 m 2H \| 71 71 m 2H \| 69 69 m 2H \| 69 68 tt 1H J 13 77 \| 39 38 t 2H J 69 \| 33 32 m 4H \| 28 27 m 4H \| 26 26 t 2H J 66 \| 19 19 p 2H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCC(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)=CC1O	ir: 1 7 6 5 6 3 6 3 2 3 3 3 3 3 3 3 2 3 6 2 1 3 5 7 12 10 5 5 8 3 3 2 2 3 3 7 3 5 3 8 3 5 11 9 3 7 11 0 27 1 7 6 4 2 4 4 3 2 5 3 5 2 3 2 3 15 3 4 4 4 4 7 7 13 4 3 6 2 7 3 10 11 6 15 16 100 9 8 6 4 5 7 7 4 11 4 6 4 16 24 5 21 3 3 4 13 7 4 5 4 1 6 14 15 10 53 11 10 10 13 21 5 8 4 5 7 10 8 2 7 5 5 4 3 4 5 3 3 3 16 26 11 14 5 11 7 14 5 8 5 5 3 2 2 2 2 13 5 10 6 22 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 3 2 3 4 3 3 4 7 6 20 5 9 10 11 8 55 43 13 5 4 3 4 8 46 8 3 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 83 82 dd 1H J 11 73 \| 79 78 ddq 1H J 14 28 92 \| 76 76 m 2H \| 76 75 td 1H J 51 73 \| 72 72 ddd 1H J 13 75 103 \| 63 62 ddt 1H J 9 18 68 \| 48 47 dddt 1H J 11 49 70 79 \| 42 41 m 2H \| 36 36 d 1H J 48 \| 31 30 dddt 1H J 10 67 94 159 \| 30 29 m 1H \| 27 27 m 1H \| 22 21 ddt 1H J 69 93 126 \| 19 18 ddt 1H J 70 93 126 \| 13 12 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ncn2c(=O)n(CC(=O)O)nnc12	ir: 1 2 2 2 1 2 3 2 2 5 7 7 11 6 2 5 3 6 7 9 26 49 26 14 5 6 10 18 51 39 7 3 1 3 2 1 1 2 3 4 6 4 3 1 2 3 2 2 2 4 5 6 4 3 2 1 2 2 2 2 2 2 1 1 1 2 1 1 2 2 1 1 2 2 2 2 7 9 13 34 13 4 2 4 3 5 3 3 4 2 1 3 4 3 2 2 2 2 1 2 3 3 1 2 3 3 4 23 1 3 2 1 2 2 1 2 2 2 2 3 3 2 2 4 10 3 4 14 7 2 2 3 3 5 6 3 3 2 1 2 9 8 4 7 4 11 3 1 2 2 1 1 1 2 3 5 8 6 10 52 19 9 1 4 2 0 1 3 1 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 3 2 2 3 2 1 2 2 2 3 4 3 2 1 2 3 2 1 2 3 3 4 100 44 28 8 3 2 2 1 9 25 5 2 2 2 1 1 2 2 1 1 4 14 23 6 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 88 88 s 1H \| 77 77 s 2H \| 46 45 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(F)c4)cc3Cl)c2cc1OC	ir: 1 8 8 6 7 7 6 3 3 6 12 6 2 7 6 3 3 8 8 5 2 6 7 8 3 6 5 1 6 10 5 2 4 12 7 6 2 5 5 1 4 5 4 3 12 21 55 65 18 23 58 54 25 18 29 17 11 4 3 5 5 6 3 2 8 8 41 36 26 54 11 5 5 12 9 6 4 7 6 8 9 6 3 3 4 3 2 2 3 5 1 1 7 8 2 3 11 32 7 7 4 4 1 4 30 54 11 3 0 2 3 3 4 5 5 3 5 7 2 4 14 3 2 3 2 4 17 6 5 2 1 3 3 2 2 3 3 8 9 38 13 6 5 6 5 11 31 16 13 56 41 47 98 64 14 22 20 6 7 44 4 19 45 8 3 0 3 5 2 1 3 3 2 1 2 3 2 1 2 3 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 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 1 2 2 2 2 3 2 2 2 3 3 1 2 3 3 2 2 3 3 2 2 4 4 3 10 13 29 100 43 17 13 3 4 3 4 3 3 3 3 5 2 3 3 3 3 6 5 3 7 23 21 75 98 22 18 5 3 3 2 3 4 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 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: 86 85 d 1H J 49 \| 79 79 d 1H J 22 \| 77 77 m 2H \| 77 76 s 1H \| 75 75 td 1H J 50 78 \| 74 73 m 4H \| 70 69 m 2H \| 39 39 s 3H \| 39 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(Oc1nccc2c1cc(C)n2Cc1ccccc1)C(=O)OC(C)(C)C	ir: 3 3 7 4 1 2 3 2 1 4 3 5 4 5 2 9 35 6 3 1 2 1 2 2 0 1 1 1 3 7 4 8 4 5 9 12 29 55 18 15 2 3 3 6 19 21 3 3 3 0 1 13 3 1 5 0 1 1 7 2 2 2 4 3 1 2 5 3 7 7 8 15 20 25 4 4 2 4 8 1 4 2 2 5 12 1 1 2 4 6 1 1 3 2 6 5 2 5 7 4 3 2 2 2 14 17 7 11 5 5 1 2 3 1 2 4 4 10 14 12 5 10 9 22 36 9 3 14 6 22 4 9 4 3 7 7 6 4 3 8 16 2 6 22 100 10 12 5 1 1 2 9 42 5 7 19 1 1 2 3 28 6 2 1 1 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 1 1 1 0 0 0 1 0 0 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 4 3 2 2 2 2 2 2 2 3 4 4 15 14 36 10 24 38 22 7 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 46 \| 74 72 m 7H \| 62 61 d 1H J 7 \| 54 54 t 2H J 8 \| 47 47 tq 1H J 15 55 \| 23 22 s 3H \| 22 21 m 1H \| 20 19 dqd 1H J 57 80 135 \| 14 14 s 7H \| 11 10 td 3H J 15 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCSC(=S)Nc1ccccn1	ir: 1 2 4 5 2 3 4 2 0 2 4 1 0 2 3 1 1 2 3 2 2 6 9 4 3 7 7 10 13 13 13 10 10 19 54 19 5 11 100 34 80 10 6 6 8 6 5 4 2 4 3 0 5 50 13 31 6 5 3 1 2 4 2 2 3 5 2 0 5 13 8 3 3 3 1 1 3 5 2 6 7 14 4 6 4 3 2 1 3 3 2 6 9 8 1 2 4 3 1 2 5 2 0 2 4 3 0 9 18 9 7 4 5 3 1 3 5 3 3 5 5 3 1 3 4 2 1 3 4 3 2 4 5 3 3 9 18 2 4 3 3 2 3 3 5 13 48 48 13 23 19 4 6 11 7 9 4 50 23 4 4 1 3 4 2 1 2 3 2 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 4 3 1 2 3 4 4 3 4 3 1 2 4 5 6 12 11 17 18 21 26 8 1 3 5 2 1 2 4 3 2 3 4 3 2 3 3 2 2 3 3 2 14 79 59 8 2 3 3 1 2 5 3 2 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 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; 1HNMR: 82 81 dd 1H J 17 43 \| 77 77 td 1H J 17 74 \| 75 75 dd 1H J 14 77 \| 65 65 ddd 1H J 14 44 71 \| 31 31 q 2H J 66 \| 14 14 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1nc2c(C(F)(F)F)cc(Cl)cc2c(Cc2ccccc2Cl)c1C(=O)O	ir: 9 9 6 11 10 5 7 8 7 11 12 13 9 9 7 11 13 12 19 21 84 75 16 9 9 8 11 9 8 7 14 5 4 4 2 6 4 2 3 4 7 31 45 9 3 5 8 1 2 3 7 4 33 22 18 13 3 1 3 3 2 2 3 5 7 9 29 22 10 13 4 3 3 4 15 40 11 29 78 66 30 9 6 7 11 9 11 10 13 13 13 58 34 8 5 4 5 5 12 64 13 8 0 3 4 3 2 2 8 18 14 3 4 5 4 4 3 15 79 6 19 22 9 9 6 6 6 3 3 10 6 11 5 4 10 5 16 23 19 10 3 3 11 19 7 20 31 7 27 13 34 90 29 39 65 23 7 0 3 13 15 2 2 3 3 5 4 2 1 0 1 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 1 1 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 3 2 3 3 3 2 3 2 5 5 4 5 31 65 61 15 10 7 4 3 3 7 17 100 11 2 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 81 80 d 1H J 22 \| 79 79 dq 1H J 10 21 \| 73 73 m 2H \| 73 72 m 2H \| 45 45 d 2H J 8 \| 32 32 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)NS(=O)(=O)c1ccc(N)c(C(=O)O)c1	ir: 7 8 11 6 5 7 8 9 6 15 11 21 19 19 14 13 10 10 12 16 10 16 20 12 49 46 100 30 22 10 10 15 7 7 6 6 11 26 36 17 17 13 11 11 18 18 16 6 7 9 18 14 33 71 27 11 10 15 7 6 8 8 5 9 12 43 18 20 16 8 12 11 9 9 10 9 12 36 31 16 8 8 12 12 42 43 18 17 7 6 5 5 8 7 8 11 8 10 8 12 32 94 42 17 14 14 17 17 16 12 10 11 13 7 6 6 7 10 10 9 10 9 7 20 16 8 7 8 10 11 11 7 7 10 7 8 11 10 9 6 6 5 5 6 5 6 6 8 7 7 12 6 49 32 45 28 72 47 22 21 17 0 36 27 6 5 5 7 6 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 6 6 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 6 6 5 4 5 6 5 5 5 5 4 4 6 5 4 5 6 6 4 5 6 6 5 5 6 6 5 6 7 7 6 6 7 7 7 8 11 15 19 14 7 8 6 7 8 6 4 22 38 26 11 7 7 5 6 8 18 69 6 42 34 14 13 7 6 7 7 9 24 48 34 13 8 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5; 1HNMR: 83 82 d 1H J 22 \| 78 78 dd 1H J 22 93 \| 75 74 s 2H \| 73 72 d 1H J 92 \| 55 55 d 1H J 103 \| 32 30 ddddd 1H J 16 32 57 87 144 \| 17 16 dqd 1H J 56 71 120 \| 15 14 dqd 1H J 57 71 119 \| 12 12 d 3H J 73 \| 9 8 td 3H J 15 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1nn(C)c(O)c1C(C)=O	ir: 4 4 4 5 4 4 4 4 4 4 4 8 4 4 5 4 4 4 4 4 18 4 4 4 4 4 5 8 18 19 13 5 4 4 4 5 4 4 4 6 12 49 23 3 4 5 4 3 9 4 4 4 4 5 4 4 4 5 4 3 4 4 4 3 4 5 4 4 4 4 9 6 4 5 4 4 5 5 4 4 6 4 4 4 4 4 4 4 6 9 24 16 4 4 4 4 4 4 4 4 4 4 4 4 6 5 11 8 4 5 4 4 5 5 4 5 4 4 4 4 6 4 3 4 4 4 4 4 4 4 3 4 6 3 3 6 4 4 3 4 5 14 4 4 5 3 3 5 5 1 1 100 0 34 6 1 3 6 4 2 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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 6 6 6 5 4 4 4 4 4 22 19 13 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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: 44 43 q 2H J 67 \| 37 37 s 3H \| 26 26 s 3H \| 15 14 t 4H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1C[C@H](OS(C)(=O)=O)CCN1C(=O)OC(C)(C)C	ir: 9 8 10 13 2 6 4 4 5 7 4 13 9 1 3 2 2 1 1 6 4 5 1 1 1 1 0 0 0 0 0 1 1 0 1 2 1 0 1 0 2 1 1 1 1 1 1 2 9 2 7 3 1 0 1 1 1 6 7 2 1 1 1 0 1 1 1 1 2 1 8 6 6 5 18 3 2 2 14 3 3 4 1 1 1 2 9 21 41 13 2 4 1 1 1 1 2 2 3 3 7 23 13 3 3 1 1 2 2 1 2 2 3 3 2 3 5 6 4 7 4 6 19 4 2 3 4 3 6 3 5 10 8 3 5 3 5 11 3 1 1 1 1 0 1 0 0 0 0 2 6 100 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 1 3 2 3 1 1 2 2 3 2 2 2 1 1 6 22 20 6 3 6 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 48 47 dddt 1H J 37 48 64 74 \| 42 41 pdd 1H J 37 54 78 \| 38 37 ddd 1H J 60 87 123 \| 35 34 ddd 1H J 59 86 122 \| 31 30 s 3H \| 23 22 dddd 1H J 37 59 86 123 \| 22 21 ddd 1H J 53 75 126 \| 21 20 ddt 1H J 62 88 125 \| 19 19 ddd 1H J 48 82 123 \| 15 14 s 8H \| 13 12 d 3H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc2c(N)nc3ccccc3c2n1CCOCCON	ir: 6 3 2 3 4 6 3 2 7 6 8 6 12 6 5 4 5 5 4 3 5 3 2 3 6 4 6 2 4 2 3 1 3 2 3 3 3 2 7 5 3 7 100 25 14 13 11 5 3 2 3 6 2 3 2 4 2 4 17 11 5 2 5 3 2 5 4 25 17 11 12 13 8 6 4 1 3 2 3 3 9 3 3 3 3 1 1 1 1 1 1 2 4 1 5 2 3 4 2 5 2 2 2 1 1 4 6 3 7 13 8 9 11 16 14 7 12 14 24 6 8 7 9 9 11 23 4 4 2 1 2 1 3 3 4 7 42 5 2 3 8 12 2 1 2 2 3 5 2 3 28 3 3 18 19 2 1 0 1 1 0 1 0 0 2 4 7 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 2 1 1 2 4 5 3 2 2 3 9 3 11 7 5 10 4 3 12 24 20 26 29 18 48 25 5 2 5 3 3 4 2 2 2 1 1 3 23 16 8 4 3 2 2 7 58 3 1 1 0 0 1 1 0 0 1 0 0 1 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 dd 1H J 15 77 \| 79 79 m 1H \| 77 76 m 2H \| 64 64 s 2H \| 55 54 s 2H \| 43 42 t 2H J 45 \| 39 38 t 2H J 46 \| 38 38 t 2H J 49 \| 36 36 t 2H J 48 \| 28 27 q 2H J 71 \| 13 13 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC#Cc1c[nH]nc1-c1cccnc1	ir: 3 4 5 12 6 4 3 3 3 3 4 3 4 3 4 3 4 7 5 4 4 4 3 4 3 3 3 8 3 3 6 3 4 13 19 10 11 15 4 6 8 4 8 13 7 12 10 100 20 11 4 2 3 4 3 2 5 5 7 5 3 3 3 10 6 3 3 5 4 3 4 5 8 5 3 3 4 8 4 3 4 5 3 3 3 3 3 3 3 3 3 3 4 7 3 3 4 11 5 4 2 5 57 4 4 4 4 5 6 3 4 6 15 21 2 4 4 6 10 10 15 14 10 6 4 4 3 3 3 3 3 3 4 4 24 14 10 5 4 17 4 17 3 4 4 2 2 3 5 17 5 14 5 11 9 4 3 1 2 6 5 59 8 0 3 5 3 1 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 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 2 3 2 2 3 3 3 2 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 3 4 6 5 6 4 5 3 3 3 3 4 7 11 8 12 23 9 10 23 9 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 9 27 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 3 3 3 2 2 2 3 3 3 2 2 3 3 2 2 3 2 2 2 2 2 2 2 2 3 2 2 2 2 3 2 3 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; 1HNMR: 91 91 d 1H J 20 \| 90 89 d 1H J 31 \| 87 86 dd 1H J 17 48 \| 83 82 dt 1H J 18 84 \| 79 78 d 1H J 33 \| 75 75 dd 1H J 48 84 \| 25 25 t 2H J 56 \| 16 15 tt 2H J 57 67 \| 14 13 m 4H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(Cl)c(-c2cccc(Cl)c2Cl)n1	ir: 2 1 2 2 4 2 3 2 1 32 7 2 3 1 1 2 2 2 1 2 3 3 5 8 9 3 3 12 2 2 2 2 2 1 2 3 5 58 3 1 1 4 2 0 2 8 71 28 42 3 3 2 5 2 3 3 5 8 6 2 2 3 3 2 10 34 17 2 4 5 4 5 9 4 4 1 2 1 1 1 2 4 3 2 1 1 2 4 6 5 3 3 3 31 3 2 17 15 2 2 1 2 2 3 3 2 1 2 2 2 29 2 2 2 4 2 2 5 2 3 3 5 4 2 2 3 2 14 3 32 23 14 63 17 4 3 3 6 38 26 11 43 16 11 12 21 6 4 3 2 2 3 3 4 5 34 2 2 4 5 1 1 2 1 1 1 1 1 1 1 1 2 1 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 3 5 2 1 2 2 2 3 2 3 2 4 3 3 6 6 12 16 100 46 36 25 16 6 4 4 5 3 1 2 2 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 s 1H \| 76 76 ddd 2H J 11 82 119 \| 74 74 m 1H \| 40 40 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(CN)cc1F	ir: 2 1 1 1 2 5 3 2 16 7 1 1 2 2 1 3 3 2 6 4 3 1 1 1 1 0 1 5 2 2 0 1 1 1 1 1 1 6 9 5 1 1 0 1 1 0 1 1 1 0 1 4 5 4 6 4 7 100 61 5 25 18 3 4 8 54 51 14 28 60 37 7 3 1 2 3 1 2 3 5 6 4 2 10 25 25 6 3 8 6 3 6 20 11 5 1 1 2 2 1 1 2 2 2 8 10 6 3 1 1 1 1 1 2 1 1 1 4 8 8 5 13 15 12 15 6 4 2 4 5 9 8 9 19 17 14 7 8 5 4 6 5 2 1 1 1 1 1 2 7 8 2 2 2 1 0 1 1 1 1 6 10 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 2 2 1 1 1 2 1 1 1 1 1 1 5 9 15 12 17 19 24 12 2 3 1 1 1 1 1 1 3 3 5 15 10 10 21 20 10 10 5 12 33 47 6 3 8 6 3 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 78 dd 1H J 47 87 \| 73 72 ddt 1H J 8 17 86 \| 72 72 ddt 1H J 8 16 120 \| 40 39 tt 2H J 8 62 \| 33 32 s 2H \| 13 13 t 2H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1nn(C(=N)N)c2c(F)cccc12	ir: 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 14 6 2 2 2 9 9 33 6 3 2 2 1 1 1 3 2 4 1 1 1 4 7 12 4 4 8 2 4 15 2 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 2 1 1 1 1 1 1 1 3 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 4 1 1 1 1 1 1 2 1 1 1 2 2 1 10 4 2 1 1 2 2 2 8 4 2 1 2 8 1 2 1 2 2 4 2 1 1 1 1 1 1 1 0 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 3 6 24 15 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 6 1 1 2 2 8 6 2 1 0 1 2 1 1 2 100 10 3 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 s 1H \| 84 83 dd 1H J 8 81 \| 75 74 ddd 1H J 51 71 81 \| 73 72 m 1H \| 54 54 s 2H \| 34 33 hept 1H J 62 \| 14 14 d 6H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1[C@H](Cc2ccccc2)CN(Cc2ccccc2)C[C@H]1C=O	ir: 7 15 3 10 10 6 9 8 3 10 30 5 10 12 28 10 8 3 9 6 21 4 3 2 4 2 2 4 3 2 3 4 5 23 5 3 6 2 3 9 69 10 4 3 4 16 3 0 1 2 9 4 9 8 5 0 5 6 3 1 2 5 3 1 2 8 6 4 9 6 2 1 2 3 7 5 5 4 1 5 36 2 4 10 15 4 2 3 4 27 1 2 4 4 3 3 3 3 6 11 5 4 5 26 9 3 1 3 11 5 1 3 7 3 3 7 11 10 5 4 9 7 4 3 4 2 4 3 15 18 11 14 8 7 6 36 4 4 2 3 3 11 20 45 5 7 3 3 6 63 16 10 17 4 1 2 1 1 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 5 1 2 2 1 1 8 4 4 3 3 7 6 32 44 22 17 100 26 11 3 2 2 4 2 2 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 97 97 dt 1H J 9 59 \| 73 73 m 1H \| 73 73 s 1H \| 73 73 d 4H J 9 \| 73 72 m 4H \| 72 72 dt 1H J 8 15 \| 46 45 tt 1H J 36 60 \| 41 40 tddd 1H J 31 38 58 87 \| 36 35 m 2H \| 34 33 ddd 1H J 9 33 108 \| 32 31 ddd 1H J 9 60 108 \| 31 30 m 1H \| 30 30 m 1H \| 28 27 m 2H \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C(=O)C(c2ccccc2C(F)(F)F)C(=O)c2nccnc21	ir: 9 9 8 7 8 15 9 8 22 12 7 19 15 11 12 7 6 25 6 8 15 9 8 7 8 10 7 6 8 8 8 6 6 14 0 9 8 5 6 8 8 5 18 31 7 7 7 8 8 9 8 7 6 6 7 7 6 6 6 7 7 8 7 7 9 10 12 7 6 6 11 7 7 7 15 15 9 14 11 9 15 12 9 40 10 6 14 18 8 8 6 8 10 12 8 8 7 7 16 16 28 17 9 7 8 8 9 7 15 18 14 10 8 10 5 11 12 7 9 11 18 14 8 21 7 7 7 7 8 7 11 11 7 7 7 8 11 20 14 14 9 8 20 14 9 24 15 19 9 28 14 12 8 8 7 11 8 7 7 6 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 8 7 6 7 7 7 7 7 11 10 8 10 13 22 16 18 100 19 8 7 7 7 7 7 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 87 86 d 1H J 29 \| 84 83 d 1H J 29 \| 77 77 dp 1H J 13 108 \| 75 74 m 2H \| 74 73 td 1H J 14 73 \| 57 57 s 1H \| 17 16 s 3H \| 16 16 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)Cc1ccncc1	ir: 7 12 10 7 4 6 5 5 10 15 11 21 15 8 11 19 14 9 7 6 11 10 24 8 16 13 27 13 18 24 14 28 64 20 19 19 30 13 24 30 19 21 18 64 38 18 47 58 55 27 24 35 36 19 20 5 5 3 2 4 4 5 6 18 5 2 5 22 15 19 11 6 19 18 8 8 7 12 11 7 8 3 5 2 2 2 3 3 9 26 10 5 4 4 3 9 6 13 12 9 9 7 3 3 3 3 3 9 6 5 14 42 10 4 3 7 6 16 10 12 20 36 14 14 18 5 4 10 6 3 6 9 6 2 0 33 2 3 4 9 9 23 88 85 64 68 26 46 53 20 14 15 5 7 3 1 2 5 5 15 9 6 4 2 2 3 2 1 2 3 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 3 3 5 8 6 3 5 9 16 8 12 25 19 12 32 60 36 20 5 5 5 5 4 3 2 2 2 3 3 2 4 4 4 6 10 7 12 22 21 97 100 28 13 12 3 4 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 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2; 1HNMR: 86 86 m 2H \| 78 78 d 1H J 77 \| 73 72 m 9H \| 45 45 dt 1H J 68 93 \| 44 43 dq 1H J 59 77 \| 39 38 dt 1H J 9 143 \| 37 37 s 2H \| 36 36 dt 1H J 9 145 \| 31 30 ddt 1H J 8 68 141 \| 29 28 ddt 1H J 9 68 142 \| 14 13 d 3H J 58	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCCCCCCc1cccnc1	ir: 2 1 3 4 8 6 2 4 3 3 1 3 3 6 2 2 5 3 1 9 45 59 66 20 4 6 3 1 2 2 4 4 4 40 17 2 2 5 3 5 3 4 2 3 3 2 2 3 1 1 1 1 1 2 2 1 10 3 2 2 2 4 18 5 8 2 2 2 2 10 9 1 2 2 3 1 5 17 81 39 8 6 2 3 2 2 3 2 1 1 2 3 2 1 1 2 2 5 6 2 2 4 1 1 3 3 10 5 3 2 3 24 65 7 4 5 7 7 8 5 3 10 8 13 9 4 3 1 3 3 1 3 3 1 1 1 1 1 3 6 9 10 8 40 12 10 3 2 1 1 1 4 2 6 2 1 1 1 6 7 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 6 2 3 7 1 1 1 3 3 1 10 9 4 17 9 2 1 0 2 5 1 5 51 100 11 6 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 100 99 s 1H \| 85 84 m 2H \| 75 75 dtt 1H J 8 18 75 \| 72 72 dd 1H J 43 77 \| 27 26 tt 2H J 9 90 \| 23 23 t 2H J 90 \| 17 16 dddd 4H J 74 89 165 178 \| 14 12 m 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1csc(-c2ccccc2)n1)N1CCOC2(CCNCC2)C1	ir: 4 22 10 7 3 6 8 11 6 10 14 5 4 5 3 11 10 13 10 11 7 7 17 8 13 10 29 6 5 15 30 8 11 15 34 14 24 11 5 23 37 27 23 7 14 13 6 4 11 16 20 1 4 7 5 4 5 10 10 9 9 17 31 31 20 24 9 8 8 47 17 3 7 11 15 2 9 6 5 2 4 5 3 11 7 11 8 5 8 6 3 4 14 10 2 5 7 6 6 3 8 6 2 4 9 6 3 7 10 7 1 6 10 14 50 100 19 13 39 8 8 12 5 10 8 12 13 27 66 31 17 27 20 24 26 39 11 8 3 5 6 3 8 40 28 65 7 6 7 5 3 8 8 3 2 4 4 2 3 9 3 2 2 4 3 3 3 3 55 4 3 7 3 0 3 5 2 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 4 3 1 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 4 2 3 7 7 6 18 9 5 3 5 9 9 7 12 19 25 48 50 24 13 6 6 5 4 3 4 5 5 3 4 6 6 3 6 9 54 92 8 6 3 3 4 3 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4; 1HNMR: 81 81 s 1H \| 79 79 m 2H \| 75 74 m 3H \| 49 49 p 1H J 36 \| 39 38 m 4H \| 37 37 m 2H \| 30 29 ddt 2H J 35 60 137 \| 28 27 ddt 2H J 35 60 137 \| 19 19 ddd 2H J 33 60 143 \| 17 16 ddd 2H J 33 60 143	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)n1cc(N=C=O)c2ccc(OCc3ccccc3)cc21	ir: 2 4 4 3 1 4 7 7 2 6 4 3 4 5 4 15 11 5 3 6 3 6 5 3 3 3 3 2 4 4 8 6 3 2 3 2 5 5 3 8 12 23 32 3 4 6 3 3 2 5 5 1 3 8 10 2 2 3 3 1 2 3 3 7 12 25 13 7 14 9 6 4 3 2 1 2 4 4 2 1 2 2 1 1 2 2 1 2 15 15 2 1 2 6 5 1 3 2 3 2 2 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 4 4 5 5 4 4 9 6 5 2 2 2 3 2 2 2 2 4 2 1 1 2 2 2 4 6 2 3 4 4 3 22 7 2 11 18 20 23 7 21 35 8 2 1 2 14 11 2 2 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 2 2 1 0 3 65 100 3 0 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 4 4 12 27 32 11 6 5 10 4 3 2 2 2 2 1 2 2 1 1 2 11 11 2 2 2 2 2 1 1 1 2 1 3 27 21 6 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 76 76 d 1H J 76 \| 74 73 m 5H \| 73 73 m 1H \| 72 72 s 1H \| 71 71 d 1H J 24 \| 66 66 dd 1H J 22 75 \| 63 63 s 2H \| 50 50 t 2H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)C(N)N=C(N2CCOCC2)c2ccccc21	ir: 2 1 2 2 2 3 5 3 1 1 1 1 2 1 1 4 8 6 3 14 7 6 2 1 1 1 1 1 4 9 1 3 7 5 2 1 1 2 6 1 2 4 27 15 7 2 2 1 1 1 1 1 2 2 2 1 1 2 1 2 2 2 3 9 11 2 2 2 5 2 5 3 4 9 7 24 88 51 12 6 6 8 8 4 2 3 1 4 2 1 1 1 2 1 1 1 2 2 2 2 4 3 1 1 4 2 2 2 3 3 2 6 10 11 5 6 0 1 3 2 18 10 0 3 4 4 4 23 28 19 6 13 10 9 6 2 1 12 1 1 1 0 1 4 5 29 34 4 2 67 5 1 1 1 1 2 1 1 1 1 4 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 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 2 2 2 1 2 2 2 2 5 9 6 7 12 14 3 1 0 1 1 1 1 1 3 2 7 7 11 4 4 7 15 7 1 4 100 42 3 0 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 75 dd 1H J 16 79 \| 75 74 td 1H J 16 78 \| 73 73 dd 1H J 13 76 \| 73 72 td 1H J 13 79 \| 48 48 t 1H J 70 \| 38 37 m 4H \| 36 35 m 4H \| 35 35 s 2H \| 34 34 d 2H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cc(N)n(C(C)(C)C)n2)cc1	ir: 5 9 3 5 6 4 9 7 7 10 5 3 6 2 2 6 7 3 6 2 3 2 1 2 3 3 1 3 2 2 2 7 4 4 4 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 10 13 3 3 2 4 3 2 3 5 2 2 3 2 2 7 7 5 12 4 2 1 3 3 2 3 4 22 14 3 1 1 1 2 4 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 2 2 1 3 2 2 3 1 1 1 1 2 1 2 4 3 9 5 3 3 9 3 1 2 2 2 4 22 1 1 1 1 1 0 4 9 4 3 6 9 42 8 3 1 2 5 39 31 3 2 19 5 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 2 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 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 1 1 1 1 1 2 2 1 1 1 2 1 1 1 2 2 3 4 6 15 4 14 23 13 17 2 2 1 1 1 0 1 1 1 1 1 2 1 0 1 2 24 4 1 1 1 0 1 1 0 0 4 10 100 22 2 1 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 77 76 m 2H \| 69 69 m 2H \| 60 60 s 1H \| 45 45 s 2H \| 38 38 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.
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(COc3ccc(F)cc3C(N)=O)ccc2F)CC1	ir: 6 5 2 10 16 6 6 7 12 13 23 13 9 10 18 8 20 71 32 11 38 7 24 9 12 10 6 5 5 12 19 38 23 12 4 5 6 6 5 13 15 10 10 30 29 4 4 3 3 3 3 9 30 40 34 17 5 2 4 3 2 2 3 3 2 1 10 27 5 4 5 4 2 2 5 11 2 1 4 3 3 6 15 6 3 2 7 5 5 10 6 5 2 2 6 4 2 4 15 4 2 4 7 7 1 2 5 3 1 6 25 5 4 9 15 7 5 7 11 20 37 17 17 6 2 4 6 7 4 13 14 12 7 16 7 6 16 6 5 3 4 6 5 0 3 5 12 73 15 8 50 100 17 6 6 3 5 21 58 10 2 7 4 2 2 3 2 1 1 3 2 0 1 3 1 0 2 3 1 1 2 2 1 0 2 2 1 0 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 3 6 2 2 3 3 4 5 2 4 3 4 7 5 45 16 13 43 32 6 5 5 3 1 2 3 2 1 2 3 1 1 3 4 3 85 2 3 1 1 2 2 1 1 2 2 2 10 91 19 5 1 2 2 1 1 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 79 78 ddd 1H J 9 20 43 \| 77 77 dd 1H J 27 121 \| 75 75 dddt 1H J 8 19 37 81 \| 72 71 m 2H \| 70 69 m 3H \| 51 51 t 2H J 9 \| 38 37 m 5H \| 35 35 m 4H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(-c2ccc3nc(N4CC[C@H](O)C4)sc3c2)cc1	ir: 1 2 3 5 2 2 2 2 8 6 2 4 2 1 2 2 1 1 1 1 1 1 2 2 1 2 7 2 1 2 2 1 1 4 3 2 2 4 11 1 1 2 1 3 2 1 2 2 1 2 2 1 2 0 19 11 2 3 3 1 2 3 2 3 2 2 2 2 5 2 4 1 2 2 2 1 2 2 1 2 2 2 2 2 5 7 10 18 10 5 4 3 4 3 2 2 3 2 1 2 2 3 8 11 3 2 1 4 3 4 1 3 4 2 2 2 3 11 7 3 3 3 5 4 3 2 2 8 2 3 3 2 2 1 1 2 2 1 4 2 2 1 3 100 2 1 7 2 2 1 3 4 4 2 1 1 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 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 2 1 2 2 2 2 3 2 4 3 2 2 2 2 3 4 8 2 11 26 8 5 4 4 4 6 12 45 9 8 2 2 3 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 82 82 d 1H J 21 \| 79 79 m 2H \| 79 78 d 1H J 75 \| 78 77 m 2H \| 77 77 dd 1H J 22 75 \| 46 45 ttd 1H J 16 26 70 \| 40 39 m 1H \| 38 37 m 1H \| 37 36 m 2H \| 35 35 d 1H J 53 \| 21 20 m 1H \| 19 18 dddd 1H J 43 56 72 119	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CNc1cccc(C(F)(F)F)c1	ir: 7 1 0 6 8 5 2 4 4 10 6 7 5 6 7 4 4 8 11 36 35 100 13 20 17 3 6 3 3 2 2 6 4 2 1 1 0 2 1 2 2 1 1 1 2 3 1 6 8 1 2 2 2 1 1 2 2 1 0 1 1 1 1 1 2 3 5 6 3 2 1 0 1 3 3 2 6 8 10 22 11 4 6 3 1 6 5 2 1 1 1 1 1 5 13 6 2 6 16 12 6 3 3 3 8 17 1 1 1 1 1 1 3 7 20 6 3 2 5 2 2 2 5 5 3 10 10 3 4 2 2 1 2 2 2 2 1 2 2 2 2 8 13 35 21 10 11 3 3 1 0 1 1 1 1 1 7 6 1 1 1 1 3 7 2 1 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 2 2 3 2 6 19 18 6 3 1 2 4 1 3 4 30 13 2 2 1 2 2 1 2 2 3 5 6 11 21 19 26 10 4 3 4 1 1 1 1 1 0 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; 1HNMR: 74 73 dd 1H J 75 104 \| 72 72 ddd 1H J 12 23 103 \| 71 71 t 1H J 21 \| 68 67 t 1H J 62 \| 67 66 ddd 1H J 12 21 75 \| 40 39 d 2H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2cc(Cl)c(-c3ccc(C(=O)Nc4c(F)cccc4F)s3)cc2o1	ir: 4 2 3 5 4 4 3 7 7 15 19 6 3 2 3 5 11 8 2 2 2 3 6 3 3 1 2 2 4 7 2 2 3 4 2 3 2 2 3 4 10 21 100 39 13 7 6 34 5 4 3 3 2 3 2 2 1 1 3 21 10 2 29 7 13 13 11 16 22 2 6 4 1 2 2 3 1 1 1 2 1 1 3 4 1 1 3 3 1 1 2 2 2 1 3 4 7 1 2 4 6 1 3 2 1 1 5 6 0 1 4 8 1 1 3 3 5 3 3 1 0 1 2 1 4 7 7 2 1 9 5 13 2 2 3 2 4 18 13 11 7 2 4 10 42 8 13 6 25 17 24 5 5 12 3 3 5 4 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 1 2 5 3 2 2 2 2 1 3 5 3 2 6 59 34 45 19 7 4 3 2 2 1 1 1 2 1 1 1 2 1 1 4 7 3 6 4 10 29 2 5 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 88 87 t 1H J 47 \| 78 78 m 2H \| 76 76 s 1H \| 75 75 d 1H J 70 \| 73 72 m 1H \| 71 70 m 2H \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1c(CCN)[nH]c2ccccc12	ir: 1 7 3 3 4 2 3 6 17 5 4 4 3 4 2 4 3 15 2 5 3 2 3 4 4 6 8 5 10 8 6 5 24 5 9 1 2 7 4 3 7 4 21 28 10 6 12 7 5 10 11 38 33 17 17 3 3 7 6 7 9 8 4 10 4 6 4 4 5 3 15 11 13 39 100 72 9 17 4 4 6 16 30 14 6 3 3 3 3 2 1 2 4 5 9 6 15 4 6 15 9 7 4 4 9 9 10 41 41 10 5 6 3 8 4 4 4 5 4 6 15 28 20 10 7 5 8 11 8 16 26 22 32 53 23 10 11 14 3 3 4 7 13 16 73 10 2 9 6 1 1 4 3 0 34 19 3 1 2 3 2 18 5 3 1 2 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 2 3 2 2 3 4 2 6 5 3 3 2 3 5 11 19 7 24 33 27 7 2 3 2 3 4 3 3 2 4 7 8 16 49 78 21 4 12 5 16 49 37 14 42 41 88 68 7 2 2 3 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 s 1H \| 76 75 m 1H \| 73 72 m 1H \| 72 71 m 2H \| 42 41 m 4H \| 32 32 td 2H J 9 64 \| 31 31 ttd 2H J 8 42 65 \| 29 28 t 2H J 42 \| 13 12 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cl)cn2c(CC(O)c3cccs3)c(-c3ccccc3)nc12	ir: 11 5 6 3 1 2 2 3 4 2 3 5 7 15 7 5 7 5 3 3 7 7 16 4 2 3 2 4 11 2 3 5 5 5 5 15 21 9 16 18 13 15 13 5 3 3 3 1 1 2 2 2 2 3 2 1 1 3 3 2 3 19 7 5 26 16 11 9 14 12 6 3 8 11 14 8 7 29 9 2 3 6 26 7 6 17 78 77 21 26 13 8 12 7 4 3 4 2 2 2 2 2 2 3 3 6 4 2 2 13 7 4 3 3 3 2 5 3 3 4 6 11 10 2 4 4 3 6 22 9 5 25 7 6 3 48 4 2 3 3 6 2 2 2 13 14 11 4 3 4 3 6 5 2 2 3 2 2 1 2 22 2 1 2 2 5 2 2 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 2 2 2 1 2 2 2 1 2 2 2 2 1 2 2 2 4 6 5 4 5 11 4 13 25 11 11 7 5 6 10 6 20 9 44 43 47 35 38 30 19 15 48 89 100 0 10 11 3 3 2 3 1 1 2 3 1 2 4 2 1 5 9 20 7 4 8 5 3 4 6 3 2 2 2 2 1 1 2 1 1 2 2 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; 1HNMR: 90 90 d 1H J 13 \| 77 76 m 2H \| 75 73 m 4H \| 73 73 p 1H J 14 \| 72 71 ddd 1H J 7 17 64 \| 71 70 dd 1H J 53 64 \| 52 51 td 1H J 47 64 \| 38 37 m 2H \| 36 35 dd 1H J 63 169 \| 25 25 d 3H J 13	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)NC(=O)Nc2c(Br)cc(Br)cc2Br)cc1	ir: 5 2 1 3 3 2 3 3 3 4 5 23 0 3 4 4 7 24 8 2 5 11 5 8 8 3 2 3 2 3 2 5 9 3 2 4 7 10 58 3 4 3 5 2 2 2 2 2 5 8 5 2 11 12 4 3 3 5 3 2 1 1 3 23 10 38 12 4 3 4 2 2 2 1 2 2 2 1 2 2 3 13 4 9 42 6 1 2 20 2 2 2 2 13 29 3 3 2 2 3 3 10 7 2 2 2 1 1 2 2 1 1 1 2 1 2 1 2 1 4 5 2 2 2 4 23 1 1 2 3 2 3 2 5 9 9 3 2 5 1 1 2 2 3 3 3 14 5 15 32 100 8 5 2 1 3 2 2 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 2 2 2 3 2 3 2 2 2 18 14 8 3 2 5 3 2 2 2 1 2 1 1 2 1 2 2 2 2 2 7 4 5 15 99 14 10 5 4 5 3 2 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 s 1H \| 82 81 s 1H \| 78 78 m 2H \| 77 77 s 2H \| 73 73 dq 2H J 9 78 \| 24 24 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(N)cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1	ir: 6 9 17 6 6 7 7 3 4 3 6 1 2 2 11 19 2 2 1 1 1 1 2 3 4 1 2 5 2 2 2 5 5 5 5 4 9 5 4 11 12 4 3 1 3 2 3 5 5 2 2 7 8 1 31 25 13 11 4 1 1 3 1 2 5 15 3 5 3 2 4 2 2 2 3 7 10 3 1 3 1 5 2 3 23 3 2 2 5 2 6 26 2 17 4 2 3 3 5 13 14 1 1 1 1 7 11 4 2 2 2 18 3 2 1 2 3 4 8 8 8 4 6 4 4 4 5 4 6 2 1 1 1 1 1 1 1 1 3 6 12 5 2 1 1 19 12 22 3 12 21 13 2 2 6 26 21 7 28 43 6 0 4 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 2 1 1 1 2 1 3 4 3 8 19 14 44 22 11 6 4 2 1 1 2 2 1 1 2 1 1 1 1 1 6 42 3 3 2 22 10 6 2 2 6 3 4 100 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 t 1H J 57 \| 79 79 t 1H J 21 \| 78 77 m 2H \| 75 75 dd 1H J 71 106 \| 74 73 m 6H \| 55 55 s 2H \| 46 45 dt 2H J 9 59 \| 33 32 s 2H \| 24 23 d 3H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(N)C(=O)Nc1ccc(N2CCOCC2=O)cc1	ir: 2 4 4 1 1 2 7 4 1 5 4 3 1 3 3 7 13 13 5 3 3 4 10 11 14 8 5 10 4 3 1 1 3 3 2 5 3 2 2 6 6 26 36 35 17 9 5 5 17 32 40 11 6 11 26 46 54 19 13 6 14 37 100 30 19 4 2 3 2 3 3 2 7 20 21 8 3 4 3 19 27 22 13 3 4 4 7 2 2 2 5 5 4 2 4 3 3 2 3 4 3 8 14 5 52 2 5 2 0 1 3 3 3 4 3 3 5 4 5 12 5 11 4 8 3 11 19 23 9 6 4 6 4 7 7 32 97 31 13 9 4 2 2 2 3 3 3 7 12 45 21 68 82 69 21 4 3 3 2 0 1 1 1 3 2 1 1 0 1 1 0 0 0 1 0 0 0 1 1 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 2 2 1 1 1 1 2 1 3 4 4 3 1 3 2 2 3 10 18 14 18 73 21 9 4 5 2 2 2 2 2 3 6 8 4 18 24 70 27 7 4 6 6 40 69 69 28 18 2 3 3 2 3 2 1 1 1 2 2 1 1 0 1 1 4 5 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 s 1H \| 76 76 m 2H \| 72 72 m 2H \| 46 46 s 2H \| 43 43 s 2H \| 39 39 m 2H \| 39 38 m 2H \| 34 34 t 2H J 61 \| 17 16 qt 2H J 60 80 \| 10 9 t 3H J 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCn1cc(Br)c(C)cc1=O	ir: 39 12 14 5 6 4 2 6 6 5 3 6 8 8 3 3 4 2 2 4 7 24 8 4 4 2 1 10 6 2 1 4 3 1 2 4 4 1 5 8 51 31 9 13 11 4 6 7 3 3 3 4 2 1 3 4 3 1 3 4 4 19 10 14 35 16 20 11 7 11 26 42 25 12 6 8 5 2 3 3 2 1 3 3 2 2 3 3 4 2 5 7 3 5 9 75 28 11 8 5 5 9 5 5 8 7 8 4 1 4 9 7 22 26 5 6 4 6 6 13 19 24 20 11 6 10 8 4 3 6 8 3 2 4 4 5 6 6 27 12 5 7 18 84 100 45 27 6 7 7 4 2 5 14 23 4 2 4 3 2 3 5 33 54 4 6 3 0 2 4 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 2 4 7 4 5 8 9 4 2 4 7 5 7 8 32 22 3 9 8 17 29 27 9 4 3 3 3 2 2 3 3 2 1 3 4 2 2 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 80 80 d 1H J 9 \| 64 64 q 1H J 14 \| 41 40 td 2H J 9 67 \| 36 36 s 3H \| 27 27 t 2H J 67 \| 23 23 d 3H J 13	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(Cc1ccc(OC)c(O)c1)OC(C)C	ir: 8 35 43 12 11 15 21 7 4 6 7 3 2 2 3 2 5 4 3 1 2 3 7 8 2 2 1 1 1 3 8 1 1 1 2 2 1 3 2 1 3 1 1 1 2 2 3 1 4 3 1 0 3 13 13 2 6 6 3 0 6 3 4 1 2 3 5 26 9 3 6 1 2 4 4 5 11 11 64 6 3 4 8 5 4 1 2 1 6 1 3 2 6 14 100 4 7 4 3 4 10 5 1 2 3 1 1 2 2 4 4 2 6 3 2 3 2 4 8 5 3 5 2 3 2 3 3 4 6 7 4 2 4 1 1 1 1 1 0 1 1 1 1 6 36 2 2 1 1 2 18 4 2 4 2 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 2 3 1 1 1 1 1 3 1 1 1 3 3 5 6 23 2 9 39 10 6 3 1 4 3 3 44 5 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 68 67 m 2H \| 67 67 p 1H J 9 \| 61 61 s 1H \| 42 41 m 4H \| 38 38 s 2H \| 31 31 ddt 1H J 8 65 138 \| 29 28 ddt 1H J 8 66 138 \| 12 12 d 3H J 59 \| 12 11 d 3H J 59 \| 11 10 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1	ir: 8 7 8 13 6 23 2 11 16 7 48 25 11 9 13 9 7 15 3 4 4 4 2 2 2 2 4 3 2 2 3 3 22 7 3 5 8 19 26 19 14 8 6 4 3 3 5 3 3 2 3 6 26 100 35 5 2 4 3 3 3 2 8 4 4 3 12 19 12 3 2 2 1 1 2 2 2 1 2 2 2 2 2 8 6 3 3 2 3 5 7 5 4 3 5 22 9 4 4 4 4 4 3 7 3 4 9 12 35 6 5 3 15 30 18 3 11 15 11 45 42 20 45 24 18 19 13 6 7 10 20 16 31 41 14 7 14 16 12 16 6 4 6 4 9 5 59 15 50 78 12 41 10 6 4 0 1 3 2 2 10 3 2 0 1 2 1 0 1 2 1 0 1 3 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 4 3 5 3 2 3 5 4 4 3 5 6 4 7 19 29 28 52 72 24 5 5 2 2 3 3 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 78 78 d 1H J 24 \| 75 75 d 1H J 73 \| 74 73 dd 1H J 26 73 \| 38 37 m 5H \| 35 35 m 4H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(C=O)cnc1Cc1ccccc1	ir: 4 2 5 2 5 8 10 8 3 1 3 1 2 1 2 1 0 2 3 3 2 2 1 3 3 3 2 2 3 24 12 21 12 8 26 21 16 7 23 10 23 11 29 18 43 4 2 0 1 3 1 0 0 1 1 0 1 1 2 7 2 1 0 0 1 3 3 12 5 7 4 2 9 5 2 4 3 4 4 5 2 7 5 1 4 3 7 11 37 21 4 7 3 1 1 0 1 6 7 12 18 11 3 1 3 14 15 7 5 2 4 7 2 2 1 2 5 2 4 37 26 16 6 4 4 3 3 2 2 2 4 6 5 4 20 10 23 5 1 3 5 18 16 8 4 4 3 5 3 1 0 9 5 5 2 2 1 0 1 3 1 1 0 0 1 0 1 0 1 1 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 1 1 2 1 3 5 3 6 4 6 6 4 5 3 2 7 16 27 28 33 35 100 42 37 15 1 1 1 2 4 4 2 0 1 1 1 1 1 1 1 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 s 1H \| 78 78 s 1H \| 73 73 m 2H \| 72 72 ddt 1H J 13 66 78 \| 72 71 dq 2H J 10 77 \| 41 41 d 2H J 9 \| 38 37 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(NS(C)(=O)=O)c(Sc2ccccc2C)c1	ir: 4 4 5 17 0 18 11 7 12 2 2 2 2 0 2 4 7 2 11 4 13 2 2 3 3 3 12 16 6 18 14 8 10 4 13 1 8 16 10 10 12 47 65 15 21 18 7 2 6 5 5 27 10 17 5 5 51 6 22 32 9 10 8 7 2 9 8 17 24 26 20 7 5 3 8 15 3 2 5 2 3 2 3 2 6 9 7 15 63 11 13 10 5 7 11 15 96 18 3 4 4 2 3 12 17 14 22 14 19 37 5 4 5 5 8 13 16 14 29 37 8 15 20 4 4 13 41 3 2 2 1 1 2 1 0 2 18 4 1 4 14 0 1 47 14 33 8 9 7 5 22 4 1 2 2 3 1 3 2 1 1 1 1 4 2 1 1 1 1 0 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 1 1 0 1 1 1 1 1 1 1 6 7 3 2 2 1 1 1 1 2 1 3 7 13 28 14 14 13 62 62 11 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 4 3 2 17 100 51 10 3 1 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 d 1H J 22 \| 77 77 dd 1H J 22 79 \| 74 74 m 2H \| 73 72 m 3H \| 72 72 s 1H \| 30 30 s 3H \| 26 26 s 3H \| 23 23 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1nc2cnc3ccccc3c2n1N=C(C)C	ir: 8 4 3 2 5 9 38 12 3 3 4 11 10 7 6 11 11 13 16 4 14 11 26 3 4 1 2 4 3 8 3 4 10 13 3 2 6 13 5 4 9 7 18 50 60 11 3 5 9 63 9 4 1 0 2 3 3 7 4 4 2 1 8 6 2 0 4 5 2 2 10 11 6 9 9 45 24 2 3 4 2 9 4 4 1 1 4 9 2 0 5 20 97 9 5 5 4 4 3 3 4 2 5 5 3 3 3 5 5 7 6 3 11 30 8 7 17 8 16 10 5 7 15 15 10 6 10 9 27 5 3 8 28 8 39 19 26 39 44 13 11 10 6 5 4 28 12 0 43 80 34 9 3 11 4 9 14 7 2 1 8 2 2 2 1 3 6 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 2 1 2 3 2 8 8 4 5 6 7 9 7 7 8 5 11 12 12 28 41 28 38 100 11 31 12 7 9 6 6 5 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 90 s 1H \| 84 83 dd 1H J 15 77 \| 82 81 dd 1H J 14 80 \| 77 77 ddd 1H J 13 69 81 \| 77 76 ddd 1H J 15 70 77 \| 29 28 t 2H J 56 \| 21 21 q 3H J 13 \| 20 19 q 3H J 13 \| 18 17 qt 2H J 55 75 \| 10 9 t 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CC)c1nc(C(=O)O)cs1	ir: 1 1 1 2 2 2 2 3 4 4 17 13 10 3 2 1 1 1 1 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 2 1 2 1 2 1 1 1 1 1 1 4 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 1 1 1 3 26 41 8 7 5 6 2 1 1 2 3 2 2 2 1 1 1 2 1 2 3 1 2 2 2 3 1 1 1 1 1 1 1 3 1 2 2 4 2 2 3 2 3 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 16 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 5 4 4 3 2 2 1 1 2 4 1 13 100 19 2 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 s 1H \| 30 29 ttq 1H J 15 46 75 \| 19 18 dqd 2H J 59 68 138 \| 17 16 dqd 2H J 60 69 139 \| 10 9 td 6H J 15 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(-c2nc(N)ncc2I)cc2c1CCN(C(=O)OC(C)(C)C)C2=O	ir: 1 5 4 3 2 4 5 4 4 5 4 6 3 6 4 6 3 5 4 5 3 4 5 7 3 3 3 4 4 5 4 4 5 6 5 7 11 16 4 12 18 28 15 6 6 6 5 4 26 24 6 0 4 5 2 1 3 4 3 0 5 4 2 0 3 4 2 1 4 4 2 1 3 3 3 1 3 4 1 1 3 4 2 1 3 4 2 2 3 3 1 1 3 3 1 2 5 3 1 1 3 2 2 2 4 2 1 2 3 2 1 2 3 2 0 2 4 2 1 3 5 3 2 4 4 2 2 7 23 7 8 8 4 3 3 4 4 2 3 4 4 2 4 9 100 7 14 34 26 11 19 3 4 3 7 7 2 14 5 7 7 2 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 2 2 3 2 1 2 3 2 1 2 3 3 6 9 4 2 1 4 6 5 2 2 3 2 1 2 3 2 1 2 3 2 1 3 12 8 2 2 2 2 2 2 2 1 2 3 6 8 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 86 86 s 1H \| 66 65 s 2H \| 61 61 s 1H \| 42 42 m 2H \| 36 35 s 3H \| 30 29 m 2H \| 15 15 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)COc1ccc(Br)cc1-c1ccn[nH]1	ir: 8 13 14 7 5 4 6 4 16 52 3 5 3 2 2 3 3 23 7 3 2 2 1 2 2 2 2 3 4 1 1 3 4 3 4 3 3 2 2 10 3 2 2 3 5 6 6 4 13 40 100 15 36 64 20 14 5 10 4 4 7 5 3 1 3 8 16 15 49 0 6 3 2 1 3 11 3 3 3 6 11 60 33 11 26 15 12 31 6 2 9 10 8 3 2 3 3 2 3 5 4 3 2 3 9 8 9 4 5 7 8 7 29 84 25 7 3 5 9 32 20 9 6 5 4 3 4 4 7 5 4 2 1 2 2 1 1 2 2 1 1 5 21 6 2 5 35 16 4 8 8 9 47 14 2 3 2 3 8 4 2 2 3 3 13 1 2 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 2 1 2 2 3 5 5 6 6 11 18 17 18 58 61 19 20 9 6 2 3 3 2 1 2 3 1 1 2 4 2 2 4 6 3 3 4 7 12 35 98 62 9 9 8 5 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 d 1H J 31 \| 75 75 d 1H J 26 \| 74 74 dd 1H J 26 88 \| 69 69 d 1H J 33 \| 69 69 d 1H J 89 \| 38 38 d 2H J 51 \| 20 19 dtt 1H J 50 71 143 \| 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.
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(N3CCCC(N)C3)c2c1	ir: 0 15 14 8 6 11 10 10 12 21 7 7 15 8 11 8 5 11 6 3 2 8 4 4 3 9 26 6 8 8 3 2 3 5 3 2 4 5 6 52 11 9 32 10 9 5 3 2 10 11 8 6 7 7 7 60 13 10 5 4 16 39 54 15 22 48 37 24 18 8 5 6 10 21 24 28 15 5 7 5 15 7 51 39 19 41 15 48 72 23 16 12 12 7 11 11 6 9 6 7 10 9 4 5 6 17 18 22 10 10 6 7 9 7 7 8 6 5 4 6 7 13 11 8 11 19 13 9 9 19 15 14 61 40 22 21 23 10 2 5 8 15 31 11 7 3 6 8 44 14 3 40 13 5 4 7 6 3 4 4 5 9 45 7 5 5 63 7 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 2 3 2 1 1 3 2 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 3 2 1 3 2 1 1 2 2 1 2 3 3 2 3 4 11 5 6 9 6 4 5 6 6 3 50 18 37 63 55 15 5 5 2 2 3 2 3 4 5 2 13 35 29 15 18 8 13 11 16 43 100 13 5 5 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 80 79 m 1H \| 78 78 d 1H J 16 \| 77 77 d 2H J 12 \| 75 74 m 3H \| 63 63 s 1H \| 49 48 d 2H J 6 \| 39 38 t 2H J 89 \| 37 36 dd 1H J 30 125 \| 35 33 m 5H \| 31 30 ttt 1H J 31 46 60 \| 24 24 s 3H \| 19 18 dtdd 2H J 47 67 98 128 \| 18 17 m 3H \| 17 16 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1ccc2ccn(Cc3ccc(F)cc3C(F)(F)F)c2c1	ir: 2 2 2 2 3 3 3 3 3 3 4 3 4 3 3 3 3 3 2 9 12 17 26 6 6 3 3 2 2 4 3 3 2 2 2 4 5 2 2 2 2 2 2 2 4 4 4 3 3 3 4 4 8 7 6 7 7 3 2 2 2 2 2 2 2 2 4 5 5 3 2 2 2 3 4 4 3 3 5 12 5 4 3 2 3 3 5 3 3 3 3 3 2 2 3 3 4 5 19 14 7 13 4 3 3 4 2 2 2 3 8 3 3 2 2 2 2 3 3 4 3 4 3 3 3 2 3 3 3 2 2 2 3 2 2 2 2 3 3 3 2 2 3 7 6 6 2 2 2 3 7 5 3 6 6 6 3 2 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2 2 2 3 3 2 4 5 8 22 13 20 6 4 4 9 6 1 100 61 10 9 2 0 3 4 1 1 3 3 1 1 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 76 76 m 2H \| 74 73 m 3H \| 73 72 ddq 1H J 7 22 79 \| 70 69 ddd 1H J 30 72 101 \| 66 66 m 1H \| 56 56 t 2H J 9 \| 36 35 t 2H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1c(Cl)cc(C(C)O)c(-c2cccc(F)c2)c1/N=N/N(CC)CC	ir: 0 1 2 3 0 1 2 2 1 1 2 1 1 2 4 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 0 6 2 1 1 1 2 1 11 3 7 1 1 0 1 1 0 1 0 1 0 1 1 1 0 2 1 12 14 16 3 3 3 2 5 2 2 2 1 1 0 1 2 2 6 1 1 4 2 2 4 5 31 6 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 2 3 0 1 1 1 1 1 3 2 2 3 1 0 0 1 1 1 1 3 1 0 0 2 2 1 1 3 1 0 0 1 1 0 1 3 2 0 3 1 0 2 0 1 2 2 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 6 2 3 16 13 3 1 0 1 2 8 100 3 1 1 2 1 0 1 15 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 d 1H J 7 \| 75 74 m 2H \| 73 72 dt 1H J 21 121 \| 71 70 m 1H \| 53 53 m 1H \| 39 38 d 1H J 49 \| 34 34 s 1H \| 31 30 q 4H J 66 \| 16 15 d 3H J 64 \| 13 12 t 6H J 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1O[C@@H](Cn2ccoc2=O)CN1c1ccc(C2=CCN(Cc3ccccc3)CC2)c(F)c1	ir: 3 5 3 8 9 16 17 13 6 8 5 5 2 7 18 4 3 10 16 5 2 5 5 7 5 4 5 3 1 7 6 8 12 7 21 7 6 5 7 92 6 2 7 3 4 4 6 6 2 2 2 3 2 3 8 9 7 7 3 8 3 2 2 2 5 6 4 16 9 0 2 2 2 2 12 5 3 7 3 4 6 31 27 15 17 7 3 2 3 8 5 3 7 5 5 4 6 4 5 7 2 10 9 8 9 9 6 6 5 2 3 4 3 5 7 14 7 5 9 4 8 6 10 8 6 21 8 4 3 5 9 9 5 8 6 15 4 3 2 2 4 4 19 12 12 5 5 5 7 56 68 23 8 12 8 9 3 2 2 1 2 2 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 2 2 3 3 9 6 3 11 16 11 100 15 10 23 31 9 5 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 dd 1H J 21 121 \| 74 74 dd 1H J 51 77 \| 73 72 m 3H \| 73 73 s 3H \| 68 67 d 1H J 64 \| 66 65 dt 1H J 10 64 \| 61 61 tt 1H J 10 33 \| 50 49 tdd 1H J 17 37 51 \| 44 43 m 1H \| 42 42 dd 1H J 16 121 \| 41 40 m 1H \| 40 39 dd 1H J 36 121 \| 37 37 s 2H \| 33 33 dt 2H J 10 33 \| 29 28 dd 2H J 41 54 \| 28 28 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)CCN1CCC(C(=O)O)CC1	ir: 2 2 2 1 2 2 2 2 3 4 5 6 4 4 4 9 3 3 5 8 19 44 9 4 13 2 4 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 3 5 3 3 2 1 1 2 2 2 1 2 3 2 1 3 4 3 20 14 42 10 17 5 3 3 3 11 6 4 2 1 1 1 1 1 2 2 4 2 3 1 2 1 2 2 4 3 2 1 2 3 3 7 7 1 3 2 2 2 3 4 2 2 2 2 2 2 3 5 3 2 2 2 2 2 3 1 3 1 2 2 9 6 63 12 7 6 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 1 1 1 2 3 2 1 1 1 2 4 3 3 8 2 1 1 1 1 1 1 1 0 2 5 18 100 9 1 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 29 29 ddd 2H J 59 86 123 \| 27 26 ddd 2H J 59 86 121 \| 26 25 t 2H J 71 \| 24 24 p 1H J 58 \| 22 21 ddt 2H J 59 86 126 \| 19 18 ddt 2H J 58 84 125 \| 15 14 t 2H J 71 \| 8 8 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N2CCN(C(=O)ON3C(=O)CC(c4ccccc4)C3=O)CC2)cc1	ir: 2 5 5 6 1 3 16 26 12 11 6 3 4 9 4 3 1 5 7 9 8 4 1 1 0 1 2 2 1 11 4 16 24 8 3 1 4 4 3 5 29 15 37 9 6 3 7 4 1 1 3 2 10 19 46 21 4 2 5 4 8 7 4 4 5 6 7 10 7 17 6 8 4 3 0 2 3 2 3 1 1 2 5 2 2 4 5 3 1 4 13 4 3 2 7 5 7 19 8 2 4 3 4 2 2 1 1 1 1 1 2 4 4 4 3 6 4 11 13 12 17 8 2 4 3 6 4 5 7 14 29 5 3 1 2 29 7 8 3 3 1 1 6 25 7 5 15 13 11 27 36 43 100 83 8 2 1 2 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 2 1 3 2 1 2 1 4 1 3 7 36 15 31 37 53 37 3 1 2 2 3 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 m 2H \| 74 73 m 3H \| 69 69 m 2H \| 69 68 m 2H \| 41 41 m 1H \| 38 38 s 2H \| 36 35 m 4H \| 34 33 m 4H \| 31 30 dd 1H J 53 154 \| 28 27 dd 1H J 53 154	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(C(N)=O)nc2c1C1CC(C1)c1ccc(C#CC(C)(C)O)cc1-2	ir: 11 5 3 2 2 5 4 2 1 2 5 7 10 4 4 2 2 1 1 2 3 10 3 3 3 1 1 1 1 1 0 1 1 0 2 2 1 1 1 2 1 0 1 2 2 3 4 3 1 0 1 4 2 2 10 1 1 3 3 3 1 2 2 5 1 2 2 8 11 5 1 0 1 0 2 2 5 4 6 4 1 4 1 9 15 2 1 2 2 0 1 2 1 10 3 5 6 3 1 1 3 4 2 2 5 3 4 3 1 1 1 8 11 1 1 3 1 2 4 6 3 4 3 3 3 7 8 4 11 6 3 4 2 1 2 6 7 4 2 1 1 1 1 0 0 4 1 1 1 0 1 12 3 1 34 7 3 2 2 4 37 3 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 1 1 1 1 1 0 0 0 1 1 1 4 3 2 2 1 1 1 2 7 5 7 10 6 25 18 10 14 27 13 12 3 3 1 1 5 33 6 7 2 1 1 1 0 1 2 40 1 1 1 1 1 2 1 1 1 2 1 48 100 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 d 1H J 17 \| 74 74 m 2H \| 72 72 s 2H \| 38 38 q 1H J 62 \| 38 37 s 3H \| 33 33 p 1H J 56 \| 27 26 s 1H \| 25 24 m 2H \| 22 21 m 2H \| 16 16 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(CCc1nnnn1C)C(=O)c1cc(O)cc(Cl)c1	ir: 8 6 4 8 26 8 6 6 8 9 16 11 14 9 4 6 8 6 5 10 8 6 8 6 6 6 5 7 15 5 7 8 6 5 5 7 8 4 10 100 23 8 5 6 7 15 8 9 10 5 6 7 6 5 5 7 7 5 5 6 5 5 6 6 7 11 67 31 7 7 7 8 6 7 8 7 5 4 9 9 6 4 90 21 7 6 6 6 6 8 8 8 13 8 8 8 7 9 7 7 5 9 12 7 8 9 12 7 23 6 9 5 4 7 11 6 7 8 11 17 20 21 25 13 12 17 63 16 10 9 13 9 6 11 17 21 11 13 9 6 6 6 6 6 13 7 13 42 9 7 11 19 9 7 6 5 5 7 15 4 10 7 6 5 5 6 5 4 6 6 5 4 5 6 5 4 5 6 5 5 5 6 5 4 5 6 5 4 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 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 6 6 5 4 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 6 7 7 6 6 9 11 6 8 7 9 8 7 11 16 30 0 28 26 16 17 11 7 6 7 6 59 11 5 6 6 5 5 6 6 5 5 5 5 5 5 5 6 5 5 5 5 5 5 6 6 5 5 6 5 5 5 6 6 5 5 6 5 5 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 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 4 5 6 5 4; 1HNMR: 76 75 t 1H J 22 \| 71 71 t 1H J 22 \| 69 69 t 1H J 21 \| 68 68 s 1H \| 40 39 m 1H \| 40 40 s 3H \| 39 38 t 2H J 65 \| 31 30 t 2H J 65 \| 13 13 d 6H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C1NC(=O)c2ccccc21	ir: 8 15 8 4 2 7 9 7 8 35 25 9 13 20 9 4 5 19 16 3 2 7 10 9 15 31 45 42 11 11 11 1 43 43 4 5 7 28 47 21 15 45 27 18 15 7 8 2 4 7 4 5 8 7 5 2 5 7 4 1 6 9 5 3 10 17 11 18 15 12 5 1 7 9 5 4 8 9 11 3 7 10 5 3 7 8 3 19 44 18 4 4 7 9 17 33 10 12 7 19 6 5 2 4 6 4 2 4 6 4 1 5 15 21 17 7 11 10 13 13 11 12 11 8 9 7 11 28 25 17 11 14 8 3 4 6 9 36 45 13 21 17 8 6 6 5 3 4 9 11 23 8 7 12 18 12 53 63 19 67 16 0 3 7 4 0 3 7 4 0 4 7 3 0 3 6 3 1 4 6 3 1 4 6 3 1 4 6 2 1 4 5 2 1 4 5 2 2 5 5 2 2 5 5 2 2 5 4 1 2 5 4 1 3 5 4 1 3 6 4 1 3 6 3 1 3 6 3 0 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 1 4 5 2 2 4 5 2 2 4 5 2 3 4 5 2 2 5 4 2 3 6 4 1 3 6 4 2 3 5 4 1 3 6 4 1 4 8 8 3 7 7 27 100 28 19 5 2 7 6 4 1 4 6 3 1 5 7 4 2 5 5 3 4 5 10 55 55 26 18 7 4 6 5 3 4 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 1 3 5; 1HNMR: 79 79 m 1H \| 74 74 m 2H \| 73 72 m 1H \| 67 66 d 1H J 73 \| 52 52 m 1H \| 24 24 d 6H J 15	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=NC[C@H]1CN(c2ccc(-n3ccnn3)c(F)c2)C(=O)O1	ir: 4 6 5 5 3 7 10 22 19 11 16 8 4 7 12 7 4 4 5 4 3 4 7 3 4 3 6 3 8 5 3 2 3 3 5 2 5 4 4 2 3 4 5 8 28 8 6 4 4 3 3 2 5 11 42 6 5 3 3 3 3 4 4 8 20 42 18 17 8 6 9 5 9 12 9 2 3 4 3 4 4 4 5 15 7 7 7 4 5 6 5 5 9 6 8 4 5 5 3 6 7 6 6 5 6 4 12 13 11 9 4 4 5 3 3 3 5 6 11 6 6 5 6 6 5 5 3 3 5 8 11 11 4 3 3 4 4 3 2 3 4 3 6 39 10 5 4 5 8 13 100 33 9 12 14 8 4 4 3 3 3 2 4 18 5 3 3 3 2 2 3 2 3 3 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 3 3 4 0 10 4 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 4 4 3 4 5 4 6 9 4 18 6 11 28 20 20 14 3 11 8 4 3 3 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 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 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: 86 86 d 1H J 24 \| 80 80 d 1H J 24 \| 79 78 dd 1H J 48 78 \| 78 77 dd 1H J 22 121 \| 76 75 dd 1H J 22 77 \| 50 49 tdd 1H J 13 32 44 \| 41 41 dd 1H J 13 122 \| 39 38 ddd 2H J 37 114 163 \| 36 35 dd 1H J 45 111	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(=O)N1CC[C@H]1C(=O)O	ir: 5 3 1 4 6 4 2 4 7 4 5 8 7 4 1 7 6 5 19 6 3 21 8 66 13 100 9 6 8 8 9 11 4 2 1 4 3 1 1 3 3 1 2 7 4 10 3 4 3 1 2 4 3 1 5 5 5 2 4 5 4 0 3 5 2 0 4 3 2 1 4 4 2 1 4 8 12 13 10 25 3 1 13 4 2 3 4 6 4 11 4 8 3 3 3 3 1 5 5 15 6 6 4 4 2 3 4 3 3 12 6 4 2 4 7 4 5 13 6 4 2 3 4 2 2 3 4 2 2 3 6 3 1 6 4 4 3 5 4 2 2 4 17 1 2 14 8 9 5 0 34 0 1 3 3 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 3 1 2 4 3 3 5 4 5 1 6 8 6 4 2 8 3 1 2 3 2 1 2 14 6 1 3 17 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 42 42 td 1H J 9 71 \| 41 41 t 2H J 69 \| 37 37 dtd 1H J 10 85 112 \| 36 35 dt 1H J 86 114 \| 24 23 dtd 1H J 73 85 115 \| 22 21 dtd 1H J 71 85 115 \| 17 16 p 2H J 69 \| 14 13 h 2H J 70 \| 10 9 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-n2c(=S)[nH]c3cc(C(=O)NCc4ccc(Cl)cc4)ccc3c2=O)nc1OC	ir: 4 3 6 10 10 2 2 4 8 3 1 7 4 16 6 8 2 4 2 1 7 14 18 14 5 3 1 1 6 3 20 4 40 13 7 5 5 7 18 99 43 14 12 7 6 1 21 51 13 3 4 9 15 13 27 9 7 5 5 4 3 2 3 4 5 7 20 17 5 2 1 1 1 1 1 4 2 1 1 1 0 0 2 2 0 2 3 1 1 10 8 2 6 13 11 11 4 8 3 3 2 2 4 52 7 2 3 1 0 0 1 1 1 0 1 1 3 3 2 5 3 4 5 10 21 13 10 18 1 3 2 0 0 1 1 1 2 8 21 28 6 7 34 40 27 12 82 7 5 100 29 51 24 3 8 14 12 12 6 22 2 2 1 1 3 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 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 1 1 1 0 1 2 1 0 1 1 2 2 1 3 9 15 53 37 26 14 6 8 6 1 2 2 2 1 2 3 1 2 1 1 1 1 3 4 4 6 13 57 46 19 7 5 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 d 1H J 22 \| 84 83 t 1H J 57 \| 82 81 d 1H J 87 \| 80 79 dd 1H J 22 86 \| 74 73 m 3H \| 73 72 m 2H \| 71 70 d 1H J 88 \| 46 45 dt 2H J 9 57 \| 40 40 s 3H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CCCC(C)(C)[C@H]1C=O	ir: 0 14 26 27 34 28 32 16 19 18 24 12 3 14 26 15 11 34 25 10 6 15 19 8 7 17 18 5 5 17 16 3 16 34 33 13 10 34 30 22 20 21 14 4 8 18 15 7 11 19 11 4 12 23 11 0 10 20 10 2 12 40 23 26 22 21 16 11 22 20 13 3 13 19 11 8 19 17 8 4 15 20 12 10 15 15 5 7 18 15 10 10 20 15 4 9 18 14 7 12 21 19 17 23 30 27 31 26 34 17 9 18 23 22 7 21 31 17 7 23 32 44 10 29 23 15 5 15 20 10 6 21 22 19 15 17 18 9 6 15 16 5 6 15 16 5 10 100 92 85 7 17 13 4 7 16 12 5 8 17 11 2 9 17 11 2 9 18 10 1 9 18 10 1 10 18 9 2 11 17 8 2 11 16 7 3 12 16 7 4 12 15 6 4 13 14 6 5 14 14 5 5 14 13 5 6 15 13 4 7 15 12 4 7 16 11 3 8 16 11 2 9 17 10 2 9 18 10 1 10 17 9 2 10 17 9 3 11 16 8 3 12 16 8 4 12 15 7 5 13 15 7 5 13 14 6 6 14 13 6 7 15 14 5 8 15 13 6 11 29 24 15 15 19 17 14 16 25 25 12 17 24 29 25 96 45 24 9 13 19 10 4 11 16 8 4 11 15 8 4 11 15 7 5 12 14 7 5 12 13 6 6 13 13 6 6 13 12 6 7 14 12 5 7 14 12 5 8 15 11 4 8 15 11 4 9 15 10 3 9 16 10 3 10 16 9 3 10 15 9 4 10 15 8 4 11 14 8 5 11 14 7 5 12 13 7 6 12 13 7 6 13 12 6 7 13 12 6 7 13 12 5 8 14 11 5 8 14 11 5 9 15 10 4 9 15 10 4 9 15; 1HNMR: 96 95 dd 1H J 17 85 \| 21 21 dd 1H J 64 86 \| 19 18 m 1H \| 16 14 m 3H \| 14 13 m 3H \| 11 10 s 2H \| 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.
O=C1CC(c2ccc(Cl)c(Cl)c2)CN1	ir: 2 1 1 3 5 9 3 4 4 6 2 2 3 2 0 4 5 7 8 19 41 56 40 5 2 4 3 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 3 4 1 1 1 1 0 1 2 4 3 27 8 8 0 2 2 2 5 2 2 1 1 5 16 6 2 2 1 1 0 1 1 1 1 1 1 2 1 2 1 1 1 2 2 0 1 4 7 4 2 1 2 1 8 4 2 1 1 1 1 0 1 1 1 0 1 1 3 3 3 3 7 2 3 2 4 2 2 5 12 5 8 6 4 3 24 9 3 1 2 2 1 0 6 1 1 1 1 1 1 0 1 2 2 17 4 4 7 37 100 23 7 5 3 1 1 3 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 3 2 1 1 2 2 2 3 7 4 8 26 12 2 2 2 1 1 1 1 1 1 1 1 2 1 4 2 2 2 1 1 5 6 11 49 27 23 15 5 3 2 2 1 0 0 1 1 0 0 2 2 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 75 74 d 1H J 84 \| 74 73 dd 1H J 7 22 \| 72 71 m 1H \| 59 59 t 1H J 37 \| 37 36 m 1H \| 34 34 m 1H \| 34 33 m 1H \| 25 24 dd 1H J 58 162 \| 23 22 dd 1H J 58 162	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)c1cc(Br)ccc1OCc1ccccc1	ir: 1 3 6 2 2 5 3 3 0 2 3 4 1 2 3 2 2 3 3 2 3 3 4 4 3 3 11 5 2 4 11 9 7 5 2 2 4 14 6 29 55 6 2 2 3 5 2 3 2 2 2 2 4 57 30 3 6 4 4 2 2 3 2 0 5 24 4 8 17 4 11 4 4 7 8 4 4 3 5 4 3 2 21 5 1 2 6 2 3 7 2 2 7 3 2 3 13 13 2 3 2 3 2 2 2 2 1 1 2 2 1 2 2 2 3 3 3 3 3 11 4 4 2 14 3 3 2 2 2 2 2 2 2 3 2 25 4 2 2 2 3 6 20 100 7 0 8 5 5 11 3 26 4 6 2 2 2 1 1 2 3 2 1 2 2 1 1 2 1 1 1 2 1 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 4 3 3 2 2 3 3 3 3 13 11 53 78 32 15 5 4 4 10 3 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 76 76 q 1H J 19 \| 75 73 m 6H \| 70 70 d 1H J 88 \| 67 67 d 1H J 7 \| 51 51 d 2H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2ccc(Nc3nc(N)n(-c4ncc5c(n4)-c4ccccc4CC5)n3)cc2)CC1	ir: 1 6 5 3 9 8 4 4 2 4 4 4 10 7 32 10 5 4 4 4 1 4 4 4 3 13 8 11 13 12 7 7 3 2 4 3 7 6 14 5 29 13 9 13 22 5 6 3 2 12 8 7 11 12 25 49 24 14 9 3 4 7 9 15 9 18 11 8 7 11 7 6 4 4 8 5 8 5 7 11 26 13 8 6 15 6 4 6 6 14 9 7 7 6 12 12 26 5 13 9 14 9 3 3 4 3 6 15 3 16 9 4 21 10 4 4 18 3 8 3 10 7 2 4 8 12 3 6 7 3 2 7 25 12 2 4 7 7 5 9 16 13 61 17 8 14 32 41 10 5 6 5 19 11 8 80 6 4 11 22 2 2 1 2 21 2 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 2 2 1 3 4 2 0 2 3 2 9 12 5 12 100 20 4 6 4 3 4 1 2 2 2 2 2 3 2 2 2 3 3 8 9 8 8 6 5 11 25 22 12 23 14 7 2 3 3 1 2 4 3 2 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 88 88 t 1H J 8 \| 84 84 s 1H \| 81 80 dd 1H J 11 85 \| 75 75 m 2H \| 74 73 ddd 1H J 28 65 86 \| 73 72 m 2H \| 69 68 m 2H \| 68 68 s 2H \| 33 32 m 4H \| 33 32 dt 2H J 49 114 \| 31 30 m 2H \| 30 28 m 4H \| 29 29 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)CN1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1	ir: 6 4 3 6 3 3 1 2 4 2 1 3 5 2 2 11 15 12 11 6 6 3 2 3 2 3 2 3 4 2 4 10 25 9 4 10 5 8 40 24 6 1 10 6 3 1 2 4 14 26 51 16 7 11 3 7 7 4 7 3 3 3 3 5 3 0 3 6 3 3 5 3 6 17 5 5 1 1 5 26 27 19 32 8 3 2 10 12 1 2 3 9 5 3 3 4 6 6 7 11 8 11 5 2 1 2 2 14 10 3 5 4 5 5 5 3 0 5 9 4 4 8 9 3 1 3 4 3 2 7 2 2 3 3 4 4 8 3 3 22 8 4 5 32 100 17 5 13 8 10 41 4 3 5 6 25 4 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 4 13 5 3 3 6 11 4 8 3 1 2 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 72 71 t 1H J 9 \| 39 38 m 7H \| 37 36 m 4H \| 34 34 s 2H \| 29 29 s 5H \| 29 28 m 4H \| 28 27 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCc2[nH]nc(C(C)(C)O)c2C1	ir: 4 7 9 6 15 27 6 4 5 9 15 12 8 5 4 3 1 2 2 7 3 3 6 1 1 2 1 1 1 1 2 2 1 2 1 1 1 2 1 1 1 1 2 1 1 1 3 7 32 17 4 2 4 2 2 2 2 3 2 3 4 7 3 2 4 2 2 1 1 2 1 1 2 3 2 3 6 10 36 13 6 9 8 4 3 3 3 4 2 2 2 3 3 2 8 11 15 14 21 7 11 21 5 12 9 28 5 1 4 3 1 1 2 2 2 2 5 32 19 29 15 16 7 3 3 3 2 4 10 8 7 9 5 3 1 3 3 12 4 3 1 1 1 1 1 2 1 3 1 0 3 48 9 4 18 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 7 3 4 3 1 2 2 3 2 3 5 5 6 24 10 4 3 5 4 4 4 7 15 34 100 46 9 10 7 4 1 4 3 2 3 3 3 4 1 2 3 7 14 33 6 5 3 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 1 1 1 1 1; 1HNMR: 80 79 s 1H \| 49 49 s 1H \| 45 44 s 2H \| 38 38 m 2H \| 29 28 m 2H \| 18 18 s 6H \| 15 14 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1Cc2cc(C)cc(Br)c2C1=O	ir: 15 11 10 9 14 8 4 10 14 11 6 13 15 8 6 13 14 8 5 13 18 55 14 12 36 8 13 16 12 8 10 17 13 6 7 12 11 6 8 20 24 7 8 14 11 5 9 21 15 6 9 15 10 5 11 14 10 5 10 15 15 9 21 25 13 11 22 24 13 8 17 24 25 10 14 14 8 7 11 13 7 6 11 12 6 7 12 12 7 10 14 40 11 13 19 27 14 8 14 11 10 10 16 13 8 15 16 12 5 20 43 28 13 12 15 10 6 14 24 14 8 14 14 13 13 16 18 11 6 11 13 9 8 22 19 13 9 12 12 7 7 12 11 8 27 18 12 7 9 28 13 7 12 16 15 12 8 14 10 0 45 12 10 6 9 13 10 5 9 13 9 5 9 13 9 5 9 13 9 6 10 13 8 6 10 12 8 6 10 12 8 6 10 12 7 7 11 11 7 7 11 11 7 7 11 11 6 7 12 10 6 8 12 10 6 8 12 10 6 8 12 9 6 9 13 9 5 9 13 9 5 9 13 9 6 9 12 8 6 10 12 8 6 10 12 8 6 10 11 8 7 11 11 7 7 11 11 7 7 11 11 7 8 12 10 7 8 12 10 8 11 12 11 8 11 17 14 7 11 20 20 12 13 20 26 14 24 100 30 8 15 15 9 6 10 13 9 7 10 12 8 6 10 12 8 7 10 11 8 7 11 11 7 7 11 11 7 7 11 10 7 8 11 10 7 8 11 10 6 8 12 10 6 8 12 9 6 9 12 9 6 9 12 9 6 9 12 9 6 9 12 8 6 10 11 8 7 10 11 8 7 10 11 8 7 10 11 8 7 10 11 7 7 11 10 7 8 11 10 7 8 11 10 7 8 11 10 7 8 11 9 6 9 12 9 6 9 12 9 6; 1HNMR: 74 73 d 1H J 16 \| 71 71 m 1H \| 32 31 m 1H \| 31 30 ddd 1H J 8 66 137 \| 28 27 ddd 1H J 9 66 139 \| 23 23 s 3H \| 18 17 dqd 1H J 54 73 127 \| 15 14 dqd 1H J 53 73 128 \| 10 9 td 3H J 15 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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