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Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
Clc1cc2c(cn1)CNCC2	ir: 7 8 11 8 13 9 10 8 7 9 10 8 7 9 15 36 12 9 9 8 7 9 9 8 7 9 9 7 7 9 10 11 9 12 9 8 8 10 10 8 8 10 9 7 8 10 21 18 10 11 9 6 10 22 57 40 9 12 9 21 17 10 8 13 19 21 7 11 11 16 52 16 9 8 8 8 8 9 8 8 9 9 17 15 9 9 8 8 9 19 19 22 29 14 13 9 9 9 8 8 9 9 8 11 10 12 10 11 10 9 10 30 22 13 15 13 13 11 7 9 9 10 9 9 11 10 8 10 18 19 21 19 13 11 10 9 9 8 8 9 9 8 8 9 13 12 8 9 9 8 8 10 10 9 8 9 9 8 10 58 54 16 9 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 8 8 8 9 9 8 8 9 8 8 8 9 8 7 8 9 8 7 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 8 9 8 8 8 8 9 9 9 9 9 9 9 8 8 9 14 12 14 22 24 18 17 13 10 8 7 9 10 8 7 10 11 7 4 14 21 8 0 100 98 35 20 3 3 12 12 5 6 11 10 6 7 11 10 6 7 10 9 6 7 10 9 6 8 10 9 6 8 10 8 6 8 10 8 6 8 10 8 6 9 10 8 7 8 10 8 7 9 9 8 7 9 9 8 7 9 9 8 7 9 9 7 7 9 9 7 8 9 9 7 8 9 9 7 8 9 9 7 8 9 8 7 8 9 8 7 8 9 8 7 8 10; 1HNMR: 84 83 s 1H \| 69 69 d 1H J 8 \| 40 40 dd 2H J 9 55 \| 32 31 q 2H J 42 \| 30 29 ddt 2H J 8 37 47 \| 25 24 tt 1H J 40 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1=C(F)C(F)(c2ccccc2COCc2ccccc2C2(F)C(F)=C(O)C=CC2O)C(O)C=C1	ir: 2 5 10 19 11 12 8 4 3 2 1 1 3 1 1 1 2 1 1 1 1 1 3 3 2 2 1 1 1 1 1 1 2 1 5 2 2 1 1 2 3 0 31 6 8 9 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 1 2 2 1 2 1 3 4 3 1 2 1 4 6 18 12 9 3 3 6 14 10 18 24 21 4 30 6 2 2 5 8 2 2 2 5 4 2 1 1 2 2 1 1 1 2 1 1 0 0 1 1 1 1 1 2 1 1 1 1 1 1 0 1 0 0 0 1 1 2 15 3 7 10 1 1 1 4 4 1 1 1 0 8 1 3 3 1 1 1 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 2 1 2 3 2 2 2 7 12 30 8 2 3 2 3 3 21 100 38 11 2 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 d 2H J 40 \| 74 73 dt 4H J 14 38 \| 73 72 dd 4H J 24 39 \| 61 60 m 4H \| 49 48 m 2H \| 47 46 m 4H \| 41 40 dd 2H J 33 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1c(Cl)cc(C(=CC(=O)O)c2ccc(Cl)cc2)cc1Cl	ir: 7 9 9 6 2 21 12 7 8 3 8 6 3 5 11 8 3 1 4 6 5 100 46 5 5 2 2 2 3 2 2 2 3 1 1 2 4 8 3 4 9 4 3 2 2 2 3 4 2 2 2 2 3 4 11 14 2 1 2 2 1 1 1 2 1 1 1 2 7 9 3 2 2 1 5 5 12 13 56 11 3 2 1 1 12 6 9 6 4 2 2 1 1 1 1 1 2 2 7 1 3 1 1 1 1 4 2 1 1 1 1 1 2 4 2 1 1 1 1 1 1 2 2 3 4 2 1 4 3 3 2 1 2 1 0 5 1 28 6 1 1 1 1 1 1 3 4 21 5 3 2 1 2 4 13 93 81 6 5 5 3 2 3 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 2 1 4 9 18 33 19 6 3 3 2 2 1 1 9 49 18 3 1 0 1 2 1 7 25 2 1 1 1 1 1 1 1 1 3 2 80 5 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 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; 1HNMR: 77 77 m 3H \| 76 76 s 2H \| 75 74 m 2H \| 64 64 s 1H \| 46 46 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CC=C(c2cccs2)CC1	ir: 8 8 6 9 2 6 2 3 9 20 7 3 1 4 6 2 0 1 2 1 3 3 4 1 1 1 1 1 1 1 1 1 1 2 2 1 4 7 59 98 38 55 7 18 16 23 4 3 3 2 2 2 2 2 1 0 15 6 9 1 4 13 7 1 17 11 43 33 19 11 5 4 3 7 51 73 7 22 15 25 14 14 4 2 2 5 3 7 30 32 24 5 22 21 2 2 28 34 24 7 4 3 4 3 2 1 3 3 26 52 40 28 5 3 3 3 3 4 13 4 8 6 8 7 8 9 5 6 7 3 28 34 21 6 34 41 3 2 1 1 1 2 3 4 16 51 52 22 4 6 100 18 36 6 4 3 2 0 1 3 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 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 3 4 3 8 5 4 8 5 3 4 9 19 9 16 19 20 5 71 48 88 58 17 5 3 1 2 2 1 1 1 2 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 73 73 dd 1H J 17 54 \| 72 71 dd 1H J 16 64 \| 71 70 dd 1H J 53 64 \| 61 60 t 1H J 27 \| 34 34 m 2H \| 29 29 s 4H \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1cccc2c1CC(N1CCN(c3ncccn3)CC1)CC2	ir: 5 3 5 6 10 10 3 6 7 6 5 6 8 10 9 11 7 10 6 10 5 3 3 2 3 5 8 5 21 2 3 3 3 3 3 2 2 2 3 8 2 3 3 19 26 24 8 24 6 11 32 16 32 100 82 19 18 16 13 6 8 7 9 6 10 15 15 16 6 3 4 7 3 13 10 6 13 8 5 21 17 11 5 47 29 38 15 15 4 8 19 8 18 4 2 3 4 5 4 5 9 46 16 7 3 13 6 5 3 4 6 5 6 8 8 5 2 5 4 4 6 3 5 6 4 15 28 84 27 11 6 8 12 9 11 12 9 13 31 14 23 6 5 14 26 47 17 1 6 7 3 6 9 10 50 29 18 18 8 1 1 4 2 0 2 3 2 1 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 3 2 2 3 3 5 2 2 2 3 5 6 6 4 5 3 3 5 12 9 10 9 42 37 5 5 5 5 7 13 82 88 2 4 4 2 1 2 3 1 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 4 2 1 1 2 2 2 3 3 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 84 83 d 2H J 44 \| 71 70 dd 1H J 78 87 \| 67 67 dq 1H J 10 79 \| 67 66 dd 1H J 12 87 \| 65 65 t 1H J 45 \| 50 49 s 1H \| 41 40 ddd 2H J 44 70 147 \| 38 38 ddd 2H J 44 71 145 \| 32 32 ddd 2H J 44 71 114 \| 30 28 m 5H \| 28 27 dddd 1H J 8 53 81 143 \| 27 26 dd 1H J 70 152 \| 21 20 dddd 1H J 54 61 81 125 \| 18 17 dddd 1H J 54 60 80 125	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=C(OC)C(=O)C2=C(CC(CCCCOc3ccc(C(=O)N4CCOCC4)cc3)C2)C1=O	ir: 2 5 4 1 3 4 6 3 2 1 2 1 3 3 2 5 6 11 3 3 4 7 2 2 2 2 5 2 2 2 3 6 6 3 2 3 4 4 15 6 15 17 12 15 5 4 5 1 2 4 2 0 4 9 13 6 14 3 5 3 2 2 2 3 6 20 2 2 6 7 3 2 7 9 3 4 3 7 2 2 4 1 1 1 2 2 1 4 22 9 4 4 2 3 3 1 1 1 2 2 0 3 3 1 3 3 8 4 5 7 12 15 6 9 24 4 7 9 13 16 17 9 18 11 23 9 3 4 1 3 2 3 5 2 3 17 3 6 3 4 1 2 4 2 7 40 16 36 6 3 14 13 8 3 2 3 1 1 0 1 1 1 32 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 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 3 6 4 2 2 1 2 5 2 1 18 9 9 100 11 2 3 2 1 1 2 0 1 1 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H \| 70 70 m 2H \| 40 39 t 2H J 58 \| 39 39 s 6H \| 37 36 dd 4H J 44 53 \| 35 35 dd 4H J 43 55 \| 28 27 m 2H \| 25 24 m 2H \| 20 19 hept 1H J 62 \| 17 17 tt 2H J 59 76 \| 15 13 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2ccccc2Cl)nc1	ir: 15 6 9 9 38 12 13 5 4 2 1 1 1 1 3 2 2 7 2 1 1 1 0 1 1 1 1 10 12 1 3 1 1 6 7 7 15 32 8 1 5 7 75 51 4 2 2 2 1 0 1 2 1 1 2 24 19 3 7 2 1 1 1 1 1 2 1 1 2 16 12 42 15 0 4 6 4 2 1 5 8 0 1 1 1 1 1 16 13 2 4 8 1 1 1 1 0 0 1 1 1 1 1 1 0 2 5 1 1 1 1 1 1 2 12 50 14 4 17 6 3 2 4 25 47 7 3 3 4 1 2 81 9 4 4 2 41 8 3 3 3 5 15 10 11 36 11 48 11 25 22 2 3 7 15 2 1 1 10 3 2 9 40 5 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 1 2 1 0 1 1 1 0 1 1 1 2 1 2 2 2 6 22 55 100 48 27 5 2 3 3 1 2 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 90 d 1H J 19 \| 80 80 dd 1H J 19 81 \| 79 79 d 1H J 82 \| 79 78 m 1H \| 74 73 m 3H \| 39 39 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(C#N)c2cccc(-c3c(C)cc(C)cc3C)n2c1=O	ir: 7 3 0 8 8 9 8 13 9 10 5 4 7 3 2 5 9 9 6 10 8 3 2 7 8 8 2 6 11 3 4 19 24 6 4 5 5 1 3 9 12 7 5 5 4 1 3 6 5 3 6 12 9 58 41 11 7 7 8 8 4 2 9 9 5 1 5 9 4 4 6 9 4 7 12 9 8 2 6 5 2 2 5 6 4 2 5 5 2 4 9 5 2 16 9 6 3 8 8 5 1 3 7 5 3 3 10 7 8 6 6 5 4 7 9 5 2 4 8 4 1 9 14 19 8 10 21 15 10 24 10 6 5 5 5 3 4 44 6 2 2 7 6 6 8 18 20 6 4 6 5 5 5 55 11 6 12 9 5 3 5 14 10 8 55 12 5 1 3 5 3 1 3 5 3 1 3 6 3 1 3 5 3 6 4 5 2 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 5 3 8 5 4 2 3 6 5 3 4 6 5 2 6 12 6 5 36 28 56 100 26 7 5 3 4 5 3 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 3 2 3 4 3 2 3 5 3 1 3 5 3 1; 1HNMR: 78 78 m 2H \| 74 74 dd 1H J 15 73 \| 73 72 dd 1H J 74 85 \| 69 69 s 2H \| 43 43 q 2H J 71 \| 23 23 d 9H J 61 \| 13 12 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCOCCn1c(C)nc2cnc3ccccc3c21	ir: 5 7 3 9 8 18 11 20 13 8 6 4 7 22 4 19 27 5 6 17 15 6 3 4 7 2 0 4 4 4 13 5 3 1 1 8 9 1 3 7 11 3 21 10 85 15 6 6 10 42 6 9 5 7 5 13 9 4 8 15 7 13 12 8 8 8 7 9 19 7 5 20 19 7 17 10 18 10 7 4 2 2 3 4 3 7 11 5 3 4 45 9 4 13 8 8 4 12 8 5 3 3 4 3 1 2 5 3 8 4 6 5 4 9 13 6 2 3 7 5 1 6 12 5 3 7 6 3 4 6 4 2 2 4 24 18 9 16 41 13 3 10 4 2 2 4 10 2 12 58 5 3 26 5 3 5 28 7 4 2 10 4 3 1 2 4 12 1 2 4 2 0 2 4 2 0 4 4 2 1 2 4 2 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 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 2 1 3 4 4 2 4 6 3 1 3 4 4 2 6 7 14 16 13 100 31 11 10 11 8 7 5 4 2 2 3 3 2 1 3 7 4 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 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 1 3 3 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 2 3 2 1; 1HNMR: 90 90 s 1H \| 84 83 dd 1H J 14 77 \| 81 80 dd 1H J 15 81 \| 77 77 ddd 1H J 13 69 81 \| 77 76 ddd 1H J 13 69 82 \| 43 43 t 2H J 41 \| 42 42 d 2H J 26 \| 39 39 t 2H J 40 \| 26 25 s 3H \| 25 24 t 1H J 26	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)C1CCCc2ccccc21	ir: 1 11 7 2 1 13 18 8 3 2 2 3 2 1 3 1 0 12 62 12 4 4 37 27 8 1 1 2 2 1 1 1 4 3 2 3 15 20 5 5 4 100 52 24 6 43 20 0 1 2 3 2 1 2 2 0 3 5 2 0 1 1 1 0 1 2 4 2 1 4 1 1 5 4 2 5 2 2 1 1 1 2 3 3 3 3 3 8 14 19 13 18 13 9 6 5 8 3 3 7 9 4 5 22 6 4 4 5 7 6 2 13 17 7 6 5 4 7 7 9 6 3 2 3 5 2 1 5 8 4 3 3 4 3 1 2 12 73 36 8 6 5 14 17 19 10 5 3 8 33 20 2 2 1 1 2 1 1 2 5 2 1 1 1 1 0 1 1 1 0 1 2 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 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 3 2 3 3 5 2 4 5 6 7 6 30 24 15 8 18 26 25 74 38 15 6 1 3 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 72 71 m 3H \| 71 70 ddt 1H J 9 18 77 \| 40 40 td 1H J 6 49 \| 28 27 m 2H \| 22 21 dddd 1H J 50 62 86 136 \| 21 18 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1cc(OC)ccc1C(C)=O	ir: 15 8 8 9 15 8 2 8 5 10 1 13 9 4 3 8 10 16 15 10 10 15 13 23 28 22 23 37 46 9 12 11 12 4 3 5 5 2 7 6 4 2 3 4 4 2 3 5 4 3 3 7 7 31 40 31 16 19 10 12 8 11 19 51 46 13 37 78 29 9 26 19 11 3 9 11 7 3 5 5 2 1 4 4 2 4 13 8 5 4 10 15 13 13 9 12 6 23 14 8 12 6 16 17 18 40 31 11 9 11 5 7 4 6 9 7 4 16 14 24 21 12 36 27 22 16 16 9 10 6 21 13 8 24 16 13 6 9 23 60 100 45 32 41 45 37 16 20 6 11 31 33 11 23 12 4 4 8 3 1 3 6 25 22 6 5 3 1 3 5 3 0 2 5 2 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 3 3 1 1 4 3 1 1 4 3 1 1 4 3 0 2 4 3 0 2 4 3 0 2 4 2 0 2 5 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 3 4 1 1 4 4 1 2 4 4 1 2 5 5 9 4 7 6 5 4 9 10 6 6 8 15 12 19 37 50 33 34 79 87 24 10 7 5 4 6 5 2 1 4 5 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 4 3 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 4 2 1 3 3 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 2 1 2 4 2 1 2 4 2 1; 1HNMR: 78 78 d 1H J 85 \| 70 69 dt 1H J 9 19 \| 69 68 dd 1H J 21 85 \| 38 38 d 2H J 9 \| 38 38 s 3H \| 37 36 s 3H \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(CCl)CCC(Cc2ccccc2)C1(O)Cn1cncn1	ir: 1 3 1 1 1 2 2 3 3 21 2 2 1 1 2 1 1 2 3 1 1 1 1 2 1 1 0 1 1 5 20 3 2 5 29 7 2 21 24 10 90 48 20 5 5 4 3 4 8 1 1 2 1 0 1 1 1 2 2 2 4 1 1 5 1 2 7 21 3 11 1 2 2 2 1 1 6 4 23 4 4 4 1 57 4 5 2 2 4 24 10 2 11 8 9 2 7 20 11 3 4 12 2 2 5 2 3 3 7 2 2 2 2 4 7 10 6 6 5 5 24 9 4 9 6 5 1 2 5 3 8 16 5 6 9 29 3 4 1 1 1 3 6 47 7 8 4 2 1 2 1 2 2 1 3 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 2 2 3 4 7 5 31 8 4 9 7 17 23 51 43 8 97 22 100 7 3 7 1 16 38 5 3 1 2 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 82 81 dt 1H J 8 17 \| 78 78 d 1H J 16 \| 73 72 m 3H \| 72 71 ddt 2H J 8 14 69 \| 44 43 dd 1H J 9 148 \| 41 40 dd 1H J 7 148 \| 37 37 d 1H J 114 \| 35 34 d 1H J 114 \| 31 30 s 1H \| 29 28 ddt 1H J 9 58 136 \| 26 25 ddt 1H J 9 58 136 \| 23 23 p 1H J 58 \| 19 17 m 2H \| 16 15 m 2H \| 11 10 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cc(-c2nncs2)ncn1	ir: 10 10 3 9 10 4 0 5 8 4 1 7 11 6 1 5 8 3 1 6 7 3 2 8 8 2 5 15 13 15 28 13 23 14 30 52 29 28 20 17 7 2 17 13 50 26 15 30 16 7 8 9 5 1 4 8 7 1 8 20 8 5 8 10 10 2 7 9 4 2 8 25 39 49 41 37 8 3 7 8 23 7 13 7 4 5 7 7 16 9 15 11 3 5 9 10 2 3 8 5 1 9 15 4 3 4 7 5 1 5 11 16 61 28 7 4 1 4 7 5 2 5 7 4 1 5 8 5 8 6 7 3 2 6 8 12 37 11 21 7 4 6 6 2 2 8 11 25 71 26 6 5 7 8 9 8 16 100 32 7 3 10 6 0 4 8 4 0 4 8 4 1 4 7 4 1 4 7 4 1 5 7 3 1 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 3 6 6 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 3 5 5 3 3 6 5 3 3 6 5 2 3 6 5 2 3 6 5 2 4 6 5 2 4 6 5 3 5 9 7 4 11 18 25 14 7 7 5 2 5 7 4 3 6 7 4 3 5 6 3 2 5 6 3 3 5 5 3 3 5 5 3 3 5 5 3 3 6 5 2 3 6 5 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 5 6 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 6 5 2 3 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2; 1HNMR: 92 92 s 1H \| 90 90 t 1H J 16 \| 88 87 dd 1H J 17 43 \| 78 78 dd 1H J 15 44	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CC[C@@H](COC(=O)Nc2ccccc2-c2cccc(F)c2)C1	ir: 6 6 8 10 5 2 3 2 2 1 1 3 1 3 1 1 2 1 2 1 1 1 10 1 1 1 1 2 1 2 7 4 13 12 7 4 6 9 16 9 4 1 21 67 5 9 15 57 8 2 2 2 1 1 1 1 1 1 2 2 2 1 2 2 1 4 3 11 7 17 9 6 1 18 23 10 5 4 7 11 12 3 4 4 8 3 3 3 3 1 3 6 13 10 11 3 2 1 2 2 1 1 10 9 4 5 3 3 1 2 6 2 1 2 1 1 1 2 2 2 6 3 2 2 2 8 2 1 1 1 1 1 2 3 4 15 10 10 6 10 25 4 3 1 4 8 9 100 19 19 25 41 29 4 2 6 11 4 4 1 1 3 5 1 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 0 1 3 3 1 2 4 4 1 12 64 67 24 3 1 2 2 1 3 1 2 1 1 2 2 1 1 1 1 1 1 2 4 11 52 53 37 5 2 1 1 1 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dd 1H J 16 76 \| 75 75 dd 1H J 17 76 \| 74 73 m 5H \| 71 70 m 2H \| 43 42 m 1H \| 41 40 ddd 1H J 8 55 124 \| 30 28 m 2H \| 27 26 m 2H \| 24 23 m 1H \| 23 22 s 2H \| 19 18 m 1H \| 17 16 ddt 1H J 56 73 125	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C)c(-c2ccc3c(=O)n(Cc4ccccc4)cc(Br)c3c2)c1	ir: 3 2 17 3 1 3 3 6 2 2 4 6 3 2 3 1 1 1 1 2 3 3 2 3 1 1 3 4 2 4 7 10 8 8 16 5 2 2 3 5 11 5 3 1 8 7 2 9 12 1 2 2 3 1 19 0 5 2 1 0 1 1 3 5 3 2 3 13 13 10 5 1 2 2 1 10 2 3 3 3 2 1 0 0 1 3 1 1 3 9 3 4 1 1 1 1 2 4 6 2 2 1 1 2 5 8 21 6 4 2 3 1 2 2 2 8 19 7 4 4 2 3 13 18 12 3 2 3 3 3 2 1 5 9 5 7 2 1 1 3 28 15 6 3 1 100 3 5 9 3 6 6 4 4 34 9 2 1 2 8 2 0 1 1 5 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 0 1 5 3 1 10 11 33 89 37 13 16 4 4 2 2 1 2 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 83 d 1H J 15 \| 82 82 m 2H \| 79 78 m 2H \| 77 76 dd 1H J 22 86 \| 74 72 m 7H \| 52 52 q 2H J 9 \| 39 39 s 2H \| 25 24 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(C(=O)O)cc(C2CC2)c1	ir: 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 4 1 1 1 2 18 20 7 1 1 1 3 1 1 1 1 2 3 1 2 1 3 1 1 3 0 0 1 1 1 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 0 0 3 5 1 1 1 0 0 1 1 1 4 18 1 1 1 0 1 2 1 1 1 2 1 1 0 0 1 0 0 1 0 1 0 1 0 1 5 2 1 0 0 0 0 0 0 0 0 1 2 4 2 1 1 1 1 0 0 1 1 1 1 2 1 0 0 1 0 0 1 1 0 0 1 1 0 1 8 7 4 1 1 14 1 1 1 1 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 2 4 3 3 1 1 1 1 0 1 2 8 100 3 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 t 1H J 22 \| 80 80 m 2H \| 39 39 s 2H \| 27 27 m 1H \| 14 13 m 2H \| 11 10 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc2c1OCc1occc1-2	ir: 0 1 2 3 2 2 1 2 2 3 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 3 1 3 1 2 3 3 3 1 2 1 1 1 1 1 1 2 2 1 2 4 3 13 0 2 3 3 4 4 30 16 7 2 3 5 1 2 2 3 2 1 2 1 2 1 3 3 1 1 1 1 1 2 6 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 4 1 2 1 5 3 3 8 5 3 1 3 1 2 2 6 11 15 23 12 8 8 4 5 4 18 22 24 30 9 6 3 3 6 5 2 1 1 1 3 3 3 3 3 4 8 1 11 10 2 1 0 0 1 1 0 1 9 1 1 8 2 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 3 7 5 2 2 2 2 1 2 2 1 2 12 7 26 100 3 4 16 8 2 2 2 1 2 6 3 1 1 1 1 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 d 1H J 82 \| 76 76 d 1H J 81 \| 75 74 d 1H J 20 \| 67 66 d 1H J 20 \| 49 48 s 2H \| 39 39 s 3H \| 15 14 s 17H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1cccc(I)c1	ir: 3 2 2 4 3 2 1 3 3 2 1 2 3 2 1 3 4 1 1 2 3 1 1 2 2 1 5 9 5 9 29 3 2 3 4 2 2 1 1 2 2 1 2 3 5 12 65 17 8 7 4 4 2 0 3 3 2 0 2 3 2 0 2 4 3 23 43 22 16 4 2 3 1 1 3 5 2 3 7 3 1 2 4 5 17 10 3 2 2 1 2 2 1 2 4 12 2 9 23 3 1 2 4 2 0 1 3 2 0 2 3 2 1 2 4 2 3 10 8 3 4 4 8 17 100 22 9 2 2 3 3 1 1 2 2 1 1 4 10 39 34 4 12 3 68 14 5 4 3 2 3 7 4 6 12 3 2 2 3 7 13 3 2 2 2 2 1 1 1 2 1 1 2 2 2 2 3 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 1 1 1 2 1 1 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 2 3 2 3 3 3 2 1 1 3 2 0 4 6 2 1 8 18 33 18 43 47 15 25 12 2 3 4 4 2 3 2 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 74 74 ddd 1H J 12 22 73 \| 74 73 t 1H J 21 \| 72 71 t 1H J 76 \| 71 71 ddd 1H J 13 22 79 \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cccc(CO)c1C	ir: 3 2 4 1 1 1 1 2 2 3 1 3 3 1 7 6 1 2 3 3 4 4 4 4 2 3 3 2 2 2 3 5 4 1 4 10 4 3 8 19 11 9 6 1 3 13 100 15 14 6 3 6 2 1 8 3 2 4 9 5 1 1 2 1 1 1 1 3 2 2 2 2 1 1 2 1 2 2 3 2 3 5 3 6 3 18 33 25 10 9 10 2 5 2 5 2 7 6 2 4 1 3 4 9 1 1 3 2 1 1 4 7 4 5 21 6 3 3 2 4 3 1 2 2 2 5 3 2 3 9 5 2 1 2 1 2 8 11 4 14 4 13 12 8 4 4 7 17 3 5 2 1 3 6 19 7 3 14 5 10 2 5 27 4 7 5 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 2 5 2 2 2 6 5 6 4 28 34 12 5 3 2 1 3 19 5 3 2 1 2 1 1 1 1 1 1 2 5 3 11 38 22 11 7 5 2 0 3 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 86 86 s 1H \| 80 79 dd 1H J 12 89 \| 80 79 s 1H \| 75 74 m 1H \| 72 72 dd 1H J 12 89 \| 72 71 t 1H J 80 \| 70 70 dq 1H J 9 79 \| 67 66 dd 1H J 11 80 \| 47 46 dd 2H J 9 55 \| 39 39 s 3H \| 30 30 t 2H J 67 \| 25 25 t 1H J 56 \| 23 22 s 3H \| 17 16 dtd 2H J 66 74 141 \| 10 9 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@@H]1CCN(CCCl)C1	ir: 2 1 1 1 11 10 5 2 1 1 1 1 0 0 1 0 0 0 0 2 1 1 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 2 2 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 2 1 2 1 1 1 0 0 0 0 0 1 6 1 1 1 1 6 2 1 2 2 9 7 13 11 2 3 3 1 3 1 2 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 2 1 0 0 1 1 1 2 1 1 1 1 3 2 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 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 2 2 1 1 1 1 1 0 0 0 0 6 100 24 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 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; 1HNMR: 43 43 ddddd 1H J 18 28 37 47 68 \| 36 35 t 2H J 30 \| 30 29 m 2H \| 29 28 m 3H \| 27 26 m 1H \| 26 25 dddd 1H J 18 54 72 119 \| 21 20 dddd 1H J 29 55 73 129 \| 18 17 ddt 1H J 55 76 127	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(-c2cc(N3CCCCCC3)nc(N)n2)cc1F	ir: 4 3 4 5 1 3 3 4 2 3 4 4 3 3 4 7 6 4 5 3 4 4 4 5 5 3 6 3 3 3 3 2 3 6 8 16 27 28 38 9 4 5 4 4 5 3 2 2 1 2 4 3 2 2 3 3 4 3 2 1 3 3 3 3 9 11 4 3 6 4 1 1 2 2 1 1 2 2 1 0 22 2 1 1 2 2 2 7 2 2 1 2 2 2 1 1 2 2 2 2 3 2 1 1 2 2 1 2 2 2 5 3 3 2 2 3 3 2 3 2 3 2 2 2 3 1 2 2 2 2 1 3 3 4 1 3 3 2 2 5 5 5 3 7 16 51 100 78 11 10 18 5 3 2 3 2 2 6 24 3 2 2 3 5 7 4 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 2 4 4 2 6 8 10 6 3 2 2 2 2 2 2 2 1 1 2 2 5 4 5 19 14 9 4 2 2 2 1 2 1 2 3 8 92 4 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 m 2H \| 76 76 dt 1H J 11 121 \| 66 66 s 1H \| 59 59 s 2H \| 36 35 t 4H J 73 \| 18 17 p 4H J 72 \| 16 15 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(NC(=O)c2ccccc2C)cc1	ir: 2 9 6 4 3 5 14 7 5 3 2 4 6 14 19 9 3 4 2 2 1 3 3 3 3 5 4 3 3 6 4 11 9 10 8 10 5 12 16 35 28 13 19 9 17 12 6 2 9 10 10 4 4 1 6 52 54 21 5 1 3 5 3 0 2 3 1 1 3 5 9 2 4 7 4 4 5 3 5 6 3 3 2 1 5 3 2 2 6 7 7 3 3 3 3 11 6 2 1 2 4 3 3 16 17 6 3 4 4 3 2 4 8 5 3 8 13 12 5 4 3 4 3 3 7 8 8 5 5 3 2 2 3 2 2 7 33 10 12 12 17 10 34 14 17 24 17 9 7 8 10 18 18 14 6 9 4 1 3 6 8 1 2 11 4 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 2 3 3 2 2 2 2 2 2 3 2 2 2 3 4 8 12 11 32 100 29 14 8 2 5 3 3 2 2 3 2 1 2 3 2 2 3 2 2 2 3 4 10 11 11 7 3 2 2 3 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 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 2 1 2 2; 1HNMR: 89 89 s 1H \| 80 79 m 2H \| 79 79 m 2H \| 77 76 dd 1H J 16 80 \| 74 73 td 1H J 16 77 \| 73 73 td 1H J 14 78 \| 73 72 m 1H \| 44 44 q 2H J 64 \| 24 24 d 3H J 7 \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Oc1ccc(C=CCCl)cc1OC(=O)OCC	ir: 20 5 20 8 10 8 6 5 11 8 5 4 3 3 3 4 3 3 2 1 2 2 1 2 1 1 1 1 1 2 2 1 2 1 1 1 1 1 2 1 2 3 1 2 2 3 2 2 1 2 2 2 10 28 22 15 6 3 2 2 1 3 2 0 2 4 5 5 8 5 4 1 3 10 11 17 5 7 2 2 2 1 1 1 1 1 1 1 2 2 2 2 2 3 1 1 3 2 1 4 16 4 6 5 4 4 3 3 4 4 2 12 7 11 6 10 9 10 21 6 4 4 7 7 12 8 4 4 3 3 3 5 10 2 3 2 2 1 1 2 4 4 44 5 7 19 100 88 20 6 20 4 1 7 9 4 1 2 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 3 2 2 3 3 2 5 5 12 14 11 23 22 27 7 4 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 72 m 2H \| 72 71 m 1H \| 66 66 dt 1H J 13 161 \| 63 63 dt 1H J 16 152 \| 43 42 q 4H J 65 \| 42 42 t 2H J 15 \| 13 13 t 6H 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(c2ccccc2COS(C)(=O)=O)CC1	ir: 9 3 7 6 15 16 1 2 3 7 23 4 2 2 2 2 2 4 2 1 1 1 1 1 1 2 1 1 1 0 1 1 1 1 8 2 2 4 1 1 1 2 13 5 2 5 2 1 1 1 2 7 5 2 1 3 2 2 4 2 2 1 3 2 1 2 3 4 26 11 5 6 26 15 5 4 1 2 1 3 1 2 4 2 1 3 7 34 71 12 14 3 2 7 6 7 8 3 5 3 14 26 9 5 3 1 3 2 1 1 2 3 3 11 2 4 3 4 7 11 6 8 14 3 4 1 2 4 2 6 9 6 1 1 2 3 16 5 8 1 1 1 1 2 23 6 3 1 12 4 4 100 5 0 1 1 1 0 1 2 2 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 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 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 5 2 2 1 2 3 2 2 1 2 1 3 6 35 23 9 9 7 10 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 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: 73 72 ddt 1H J 9 20 77 \| 72 71 m 2H \| 67 67 dd 1H J 17 71 \| 52 52 d 2H J 7 \| 36 36 m 5H \| 34 33 m 4H \| 31 30 s 3H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc(Br)c1N	ir: 10 16 11 7 12 7 5 1 3 5 14 2 1 1 2 2 1 1 2 3 22 9 5 7 2 2 3 2 2 2 2 1 1 1 1 1 1 1 1 1 0 2 1 0 1 1 1 1 1 2 2 2 4 10 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 2 15 2 0 1 1 0 0 1 1 1 35 0 0 1 0 2 11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 0 1 1 1 2 1 1 1 1 1 3 3 2 1 1 1 1 1 1 14 1 1 1 0 0 1 1 4 4 1 1 0 3 1 2 1 1 1 3 5 51 100 5 5 1 0 0 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 1 1 0 0 0 0 1 1 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 5 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 2 7 15 0 1 1 0 0 1 1 0 1 1 19 33 6 3 3 1 0 1 0 0 0 1 1 1 0 0 0 0 0 1 0 0 0 1 1 1 0 0 0 0 1 1 1 0 1 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; 1HNMR: 76 76 s 1H \| 41 41 s 2H \| 38 37 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)n1nnc(-c2ccccc2C=O)n1	ir: 0 9 7 6 1 4 5 9 3 5 7 3 1 4 4 2 2 10 11 6 15 54 8 8 3 4 9 3 5 3 3 1 2 5 6 2 11 6 4 1 3 27 33 36 5 5 15 16 4 4 2 2 2 4 2 2 3 7 2 4 6 6 10 27 17 5 2 0 3 6 2 1 3 12 4 6 3 8 2 1 3 4 7 3 3 4 2 2 3 4 4 8 22 4 3 4 4 4 2 2 3 2 2 3 4 4 2 3 6 50 11 36 13 4 1 9 10 9 3 15 19 16 19 9 31 13 18 24 10 33 18 39 17 5 4 13 6 22 1 11 49 19 7 22 22 5 7 9 28 2 2 4 4 4 9 3 3 1 16 5 20 2 4 4 3 0 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 2 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 2 1 3 3 1 1 3 3 2 1 3 3 1 1 3 2 1 2 3 3 2 3 6 4 8 3 4 3 2 2 4 3 2 3 11 8 19 22 19 29 100 39 9 17 3 3 4 2 1 3 3 2 1 3 3 2 2 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 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; 1HNMR: 81 81 dd 1H J 15 77 \| 81 80 dd 1H J 13 97 \| 77 76 ddd 1H J 15 77 97 \| 75 75 td 1H J 13 76 \| 19 19 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1c(N2CCC(Br)C2=O)cnn1-c1ccc(Cl)cc1	ir: 8 12 15 11 5 8 16 10 7 20 20 12 10 16 23 9 36 16 13 8 6 17 17 12 5 9 18 9 3 11 11 8 14 21 29 19 19 26 23 5 11 13 10 1 4 12 9 2 8 16 13 4 11 21 69 88 19 15 9 3 7 17 18 1 10 13 8 4 11 13 7 1 8 12 5 3 9 19 6 5 15 11 4 8 14 18 12 6 14 11 9 24 12 12 2 9 15 11 8 36 23 10 12 8 11 10 3 10 11 8 4 7 16 23 9 10 16 11 9 33 22 34 24 21 27 24 15 29 79 25 12 16 12 5 3 8 9 6 3 8 9 11 4 10 10 12 38 30 59 18 6 31 28 3 5 10 7 2 5 10 7 1 5 11 7 0 5 11 6 0 6 11 6 0 6 12 5 0 7 11 5 1 7 10 4 1 7 10 4 2 8 9 4 2 8 9 3 3 8 9 3 3 9 8 3 4 9 8 2 4 10 7 2 4 10 7 1 5 10 7 1 5 11 6 1 5 11 6 1 6 11 5 1 6 11 5 1 7 10 5 2 7 10 5 2 7 9 4 2 8 9 4 3 8 9 3 3 9 8 3 4 9 8 3 4 9 8 2 4 10 10 5 5 11 9 6 8 13 9 11 22 22 18 11 30 20 41 100 54 21 20 9 14 10 7 4 7 9 5 3 7 9 4 2 7 9 4 3 8 8 4 3 8 8 4 4 8 8 3 4 8 7 3 4 9 7 3 5 9 7 2 5 9 6 2 5 9 6 2 6 10 6 2 6 10 5 2 6 9 5 2 6 9 5 2 7 9 5 3 7 8 4 3 7 8 4 3 7 8 4 4 8 8 4 4 8 7 3 4 8 7 3 5 8 7 3 5 9 6 3 5 9 6 2 5 9 6 2 6 9; 1HNMR: 80 79 s 1H \| 75 74 m 4H \| 45 44 t 1H J 42 \| 43 42 ddd 1H J 57 75 130 \| 41 41 ddd 1H J 57 76 127 \| 33 31 hept 1H J 70 \| 23 22 dddd 1H J 43 58 75 133 \| 21 20 dddd 1H J 42 57 75 132 \| 14 14 dd 6H J 8 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CNC(=O)OC(C)(C)C)N1CCOCC1	ir: 6 12 11 3 3 5 1 2 3 5 0 3 2 14 3 3 5 1 2 3 1 5 2 4 9 30 82 73 36 11 21 16 16 15 5 3 3 21 6 1 1 3 3 0 2 3 3 1 1 4 4 5 11 8 10 15 4 3 3 4 2 3 3 2 1 2 1 2 1 1 1 7 17 16 3 1 1 2 1 1 1 1 3 7 6 2 2 3 2 7 2 2 11 5 2 3 6 11 28 9 5 4 1 0 1 1 1 1 3 3 5 2 1 2 1 1 2 4 3 6 6 7 10 8 5 5 6 19 21 8 17 4 4 10 12 8 2 1 1 2 4 12 8 8 27 32 30 6 14 90 27 6 3 1 1 0 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 1 1 1 2 3 2 2 2 2 1 3 2 1 1 1 3 6 19 24 9 4 2 1 1 1 0 0 1 0 0 1 1 1 1 2 1 1 0 1 1 1 1 2 6 11 93 100 6 5 5 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 53 53 t 1H J 55 \| 37 36 m 5H \| 34 33 ddd 1H J 48 55 120 \| 31 30 m 2H \| 28 27 ddd 2H J 35 56 124 \| 27 26 ddd 2H J 35 55 124 \| 14 14 s 7H \| 11 11 d 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc2nc(-c3ccc(Cl)s3)cn2n1	ir: 4 2 1 2 3 2 0 2 5 3 1 3 4 4 3 3 4 4 2 7 7 5 16 10 4 2 1 3 3 1 1 2 4 1 2 7 8 1 2 5 3 1 6 9 4 2 2 4 2 1 3 4 5 1 3 5 3 7 59 20 11 5 4 5 4 8 11 37 18 1 2 3 2 3 4 5 6 3 3 3 1 1 3 3 1 1 3 5 5 5 17 29 19 5 2 2 2 2 3 3 5 7 29 4 3 2 2 2 1 2 2 2 4 2 2 6 4 2 2 2 1 2 2 2 1 4 2 2 2 2 3 3 2 3 6 92 22 3 4 7 4 3 4 5 3 2 4 22 27 10 4 0 2 6 17 11 4 5 3 2 10 4 3 1 2 3 2 1 2 3 2 0 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 2 2 3 3 3 7 8 10 13 13 19 39 100 93 34 15 2 7 5 2 1 2 3 2 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 84 84 s 1H \| 77 77 d 1H J 90 \| 76 75 d 1H J 90 \| 74 74 d 1H J 71 \| 71 71 d 1H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)OC)cc12	ir: 3 2 1 3 3 3 7 10 51 16 5 3 4 5 1 1 2 2 1 1 1 1 0 2 3 2 3 4 1 1 1 2 2 1 2 1 16 1 2 2 1 1 3 2 1 0 1 2 4 1 6 5 2 3 2 10 12 9 5 4 6 3 1 1 5 4 24 37 13 19 2 3 1 0 2 5 3 5 3 4 2 6 2 2 1 3 5 2 3 1 3 7 4 2 4 5 9 26 34 4 4 15 6 10 7 2 3 2 3 2 2 1 0 1 2 8 9 2 5 2 2 5 4 4 6 4 3 1 1 2 3 7 7 6 3 2 1 1 7 1 1 2 2 1 1 10 31 32 3 5 3 3 11 4 7 7 1 2 1 0 1 4 1 15 5 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 3 2 6 13 9 22 100 27 36 35 43 7 5 1 2 1 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 91 91 s 1H \| 85 85 s 1H \| 75 74 m 3H \| 71 70 m 2H \| 54 54 q 2H J 9 \| 46 45 d 2H J 9 \| 40 40 s 3H \| 34 34 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSCC(C)(C)NC(=O)OC(C)(C)C	ir: 2 4 3 1 1 1 2 1 2 4 3 2 1 1 1 1 1 1 1 1 2 1 2 1 1 2 2 2 8 68 100 34 19 10 7 3 3 2 6 2 3 0 1 2 1 2 1 2 1 0 1 1 1 0 1 2 1 0 1 3 2 2 3 3 2 4 2 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 2 2 3 2 1 0 2 3 4 2 2 1 1 1 1 2 3 2 2 3 3 3 3 9 4 3 3 2 4 5 3 4 4 9 16 8 11 2 1 1 1 1 1 1 1 2 1 6 71 27 4 2 2 3 12 30 2 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 3 2 2 1 1 1 1 2 2 2 4 4 14 19 4 3 2 1 0 1 1 1 0 1 1 1 1 2 1 1 0 1 1 1 1 1 1 2 3 6 25 37 18 4 2 1 1 1 1 0 0 1 1 0 0 1 1 0 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 55 54 s 1H \| 27 27 s 2H \| 21 20 s 3H \| 15 15 s 6H \| 14 14 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nccc(/C=C2\SC(=O)NC2=O)n1	ir: 2 2 2 2 2 3 2 2 1 2 2 2 2 5 1 2 2 2 1 2 1 2 2 2 2 2 2 1 2 2 2 1 1 2 1 2 1 1 1 1 1 2 1 3 2 2 2 2 16 4 2 2 2 3 5 20 11 1 2 3 2 2 2 2 2 2 2 1 2 2 1 2 2 2 3 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 3 5 1 1 2 1 1 1 1 3 1 1 1 1 1 1 2 2 2 2 4 2 1 2 1 1 2 1 1 1 1 1 3 2 2 1 2 2 1 2 5 3 10 6 13 8 9 2 3 2 4 4 3 2 0 1 100 6 12 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 9 2 1 1 2 1 1 2 1 1 2 1 1 2 2 1 2 3 22 4 3 2 2 8 14 3 2 2 2 4 6 24 2 2 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 94 94 s 1H \| 83 83 d 1H J 49 \| 79 78 s 1H \| 73 73 d 1H J 49 \| 64 64 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC1CCN(c2cccc(C(OC3CCN(C)CC3)c3nc4ccccc4s3)c2)CC1	ir: 3 2 2 2 4 2 2 2 1 1 1 1 2 2 1 1 2 1 1 1 2 1 3 2 1 1 1 1 2 1 4 1 2 2 1 3 1 1 1 1 2 0 10 9 6 3 2 100 11 4 1 0 1 2 3 3 3 2 3 1 1 1 1 3 6 1 8 6 8 6 3 3 1 4 5 18 5 4 3 2 35 6 0 0 2 6 4 7 4 14 6 2 1 1 2 1 4 5 12 7 4 5 1 1 2 2 5 2 3 4 3 2 4 1 0 3 1 4 2 3 4 5 8 12 2 2 1 8 2 2 4 3 3 2 9 5 1 1 2 1 2 22 33 3 24 2 2 0 9 1 1 1 1 3 1 1 11 2 2 4 1 1 3 7 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 1 0 1 1 0 1 2 5 2 2 1 1 2 2 2 4 7 27 1 12 14 25 4 3 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; 1HNMR: 80 80 dd 1H J 15 70 \| 79 79 dd 1H J 14 74 \| 75 75 td 1H J 15 73 \| 75 74 td 1H J 14 75 \| 74 73 ddt 1H J 9 20 81 \| 72 72 dd 1H J 71 79 \| 70 70 m 2H \| 59 58 d 1H J 9 \| 49 49 p 1H J 42 \| 40 39 p 1H J 42 \| 37 36 ddd 2H J 60 86 125 \| 35 34 ddd 2H J 59 87 126 \| 28 27 ddd 2H J 64 91 121 \| 26 25 ddd 2H J 64 92 119 \| 23 23 s 2H \| 22 21 dddd 2H J 42 59 86 129 \| 21 20 m 2H \| 20 20 s 3H \| 19 18 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cn(-c2cccnc2)c2ccccc12	ir: 20 19 14 27 17 17 13 15 20 19 13 15 19 13 14 15 14 15 13 15 16 13 12 15 15 16 14 16 18 13 13 18 15 13 22 52 16 15 14 23 21 4 80 0 14 21 14 9 13 18 14 12 13 15 15 21 16 16 15 15 29 17 17 17 18 29 23 19 16 18 29 14 17 29 19 15 22 18 22 14 22 29 20 38 40 91 53 68 42 28 20 21 16 14 14 15 14 13 16 15 13 13 14 14 14 23 18 14 14 14 14 21 38 13 14 17 13 14 15 15 17 19 24 22 24 23 17 17 15 15 13 13 13 13 13 13 12 13 17 35 25 13 13 15 23 27 17 12 13 14 26 26 17 26 55 16 14 14 13 13 13 16 15 13 13 13 13 13 13 13 13 12 12 13 12 12 12 13 13 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 13 13 13 13 13 13 13 13 12 12 13 13 12 12 13 13 13 13 13 13 12 13 13 13 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 13 13 12 12 12 13 12 12 13 13 12 12 12 13 12 13 13 13 13 13 13 13 13 12 13 13 13 13 13 13 13 13 13 13 14 13 16 17 14 13 13 15 14 14 14 18 18 34 67 94 23 19 38 15 16 21 100 50 29 15 14 13 13 13 13 12 13 13 14 12 12 13 13 12 13 13 14 13 14 18 13 13 13 13 13 13 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 12 13 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12; 1HNMR: 88 88 t 1H J 16 \| 84 84 ddd 1H J 14 21 36 \| 80 79 m 1H \| 78 78 d 1H J 10 \| 77 77 dt 1H J 21 64 \| 75 75 dd 1H J 14 62 \| 75 74 dd 1H J 36 63 \| 74 73 ddd 1H J 13 64 74 \| 71 71 td 1H J 14 70 \| 48 48 dd 2H J 8 52 \| 37 37 t 1H J 52	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1csc2nc(CCl)cc(=O)n12	ir: 9 9 10 15 12 12 10 8 15 21 12 11 11 9 8 13 19 14 15 16 30 10 14 14 12 11 11 19 19 8 9 10 9 7 8 9 10 7 8 19 26 39 16 21 30 17 11 10 9 8 9 9 9 9 10 27 36 61 24 9 8 7 9 10 8 7 20 22 51 33 11 8 11 10 8 7 9 10 8 8 8 9 8 8 9 9 8 8 9 9 8 8 9 10 15 25 21 11 11 12 15 9 8 9 10 11 10 11 16 13 13 41 40 33 40 52 69 25 13 14 15 10 9 9 10 9 8 9 9 9 15 16 11 11 10 9 10 8 9 11 18 14 31 11 10 7 7 11 11 23 36 9 9 7 8 11 12 9 21 34 12 69 100 0 6 14 9 4 8 11 8 6 8 10 8 6 8 10 8 7 8 9 8 7 8 9 8 8 9 9 8 8 8 9 8 8 8 8 8 8 8 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 8 8 8 8 8 8 8 8 9 8 8 9 9 8 8 9 8 7 8 9 10 8 8 14 12 10 9 10 9 9 9 13 13 8 12 17 31 57 49 44 20 14 10 8 10 10 9 8 9 10 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8; 1HNMR: 93 93 d 1H J 15 \| 66 66 d 1H J 13 \| 65 65 t 1H J 14 \| 45 45 d 2H J 13	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC2CC(C)(CN2C(=O)c2ccc(N3CCC(C(=O)O)C3)cc2)C1	ir: 5 3 3 3 2 3 5 4 1 4 3 10 11 7 26 14 9 8 8 9 33 42 88 51 16 9 8 3 2 16 6 2 3 7 7 3 4 11 17 16 6 13 5 4 7 3 4 1 2 3 6 5 15 7 15 86 21 9 3 6 17 4 16 10 9 4 7 7 6 7 3 12 3 3 3 5 7 30 95 38 19 5 13 2 17 13 4 4 7 3 3 5 10 5 20 18 9 13 10 10 6 8 15 11 4 14 8 6 14 15 10 13 10 4 5 8 10 5 4 8 6 10 9 8 11 6 4 5 11 9 7 19 100 10 6 5 6 3 4 4 4 2 3 27 25 55 21 1 5 3 7 13 5 15 3 3 2 1 2 2 2 0 2 4 16 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 1 0 1 2 1 1 1 2 2 0 1 2 2 2 1 3 5 7 3 5 2 3 5 13 17 13 26 4 14 41 21 7 4 4 4 3 3 3 15 18 3 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2; 1HNMR: 77 77 m 2H \| 69 68 m 2H \| 41 41 m 1H \| 40 39 tt 1H J 37 48 \| 39 38 m 1H \| 37 36 d 1H J 119 \| 36 35 ddd 1H J 53 71 124 \| 34 33 m 2H \| 28 28 m 1H \| 23 22 ddt 1H J 48 71 122 \| 21 19 m 3H \| 18 18 dd 1H J 37 123 \| 17 16 dd 1H J 48 125 \| 15 15 d 1H J 130 \| 12 12 d 1H J 130 \| 10 10 s 3H \| 10 9 s 3H \| 9 9 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c1CC(C)(C)C2N1CCCCC1	ir: 4 7 26 7 9 11 5 5 7 7 8 6 5 5 5 6 5 5 5 5 8 5 7 8 4 4 4 4 5 6 4 4 5 4 4 5 5 4 8 15 5 4 5 6 9 8 7 60 100 20 37 0 5 9 8 23 9 14 23 26 7 8 7 15 10 9 10 6 5 8 6 10 12 8 8 5 7 7 5 4 12 66 44 13 12 8 13 39 29 8 12 39 13 11 5 6 5 14 8 19 10 12 16 11 11 6 5 6 7 22 25 22 12 18 15 28 19 10 12 18 15 11 10 6 8 6 11 14 8 6 12 17 9 26 12 9 13 8 9 6 37 12 4 6 5 4 4 5 5 4 4 5 4 4 5 6 19 43 12 6 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 6 7 6 7 14 6 10 6 6 9 6 7 14 22 63 31 22 52 52 9 8 7 6 5 6 5 4 4 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 72 72 t 1H J 78 \| 71 71 dt 1H J 9 75 \| 68 67 dd 1H J 13 80 \| 39 38 s 2H \| 35 35 tt 1H J 11 18 \| 29 28 m 1H \| 28 28 m 2H \| 27 26 d 1H J 156 \| 26 25 ddd 2H J 26 52 119 \| 17 15 m 6H \| 11 10 d 3H J 14 \| 10 10 d 3H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C(=O)C(F)(F)F)c1ccccc1	ir: 26 10 6 5 8 5 7 8 14 5 9 6 6 4 1 4 6 3 7 10 9 10 18 7 7 2 2 10 7 6 18 19 16 2 19 23 11 10 38 48 8 11 6 7 6 3 5 7 6 2 4 6 3 0 3 6 4 0 6 8 3 1 4 6 6 2 5 7 5 36 7 6 28 20 15 19 16 4 9 7 2 1 5 5 2 2 5 4 2 2 6 6 4 3 10 9 4 14 51 12 8 7 6 5 4 8 18 7 1 4 6 3 1 3 9 5 4 7 6 7 9 9 11 9 7 11 8 7 6 17 7 6 3 6 8 25 7 6 8 4 5 31 24 46 61 20 25 10 4 4 4 3 10 6 3 2 2 4 3 7 2 4 3 1 2 5 3 1 3 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 3 2 2 4 4 2 2 4 3 2 3 5 4 2 3 5 5 2 6 5 10 12 9 10 12 10 42 100 28 8 7 8 4 1 5 5 3 1 3 5 2 1 4 5 2 1 3 4 2 1 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 2 4 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1; 1HNMR: 75 74 m 2H \| 74 73 m 2H \| 72 72 m 1H \| 45 45 s 1H \| 42 41 m 2H \| 13 12 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2NC2CCCCC2)cc1	ir: 2 5 3 3 5 14 19 19 12 7 8 2 2 2 4 2 10 23 27 10 16 4 7 3 2 5 5 4 7 5 4 4 4 2 9 5 4 7 7 12 20 30 47 17 8 2 2 5 4 4 9 7 6 8 10 9 6 20 41 8 4 4 2 2 1 1 1 4 7 10 7 12 6 2 5 4 2 2 2 1 1 1 2 2 5 3 2 6 3 1 1 1 1 1 4 7 2 3 1 2 2 4 2 2 1 3 3 8 3 4 10 9 17 24 65 98 34 9 12 5 3 6 17 58 17 20 18 23 27 14 22 7 13 11 12 7 4 8 14 4 2 4 5 7 13 50 18 25 9 28 14 42 8 5 3 2 15 9 1 0 2 5 2 5 1 1 1 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 0 1 1 1 1 1 2 2 3 4 3 5 3 5 4 1 4 4 4 8 28 27 23 47 26 13 4 4 2 2 1 3 1 1 1 2 1 2 3 3 3 12 28 100 36 15 11 27 29 8 9 5 1 4 2 4 1 1 2 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H \| 76 75 m 2H \| 74 73 dd 1H J 16 81 \| 72 72 td 1H J 16 81 \| 71 70 td 1H J 14 80 \| 70 69 dd 1H J 14 82 \| 49 49 d 1H J 77 \| 35 34 q 4H J 71 \| 33 33 dp 1H J 47 77 \| 29 29 q 4H J 39 \| 26 25 m 4H \| 23 22 p 1H J 39 \| 19 18 dddd 2H J 48 59 84 131 \| 17 14 m 9H \| 12 12 t 6H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C=C(CCCCCC)OC(=O)OCC	ir: 44 19 23 15 21 18 44 35 20 29 60 9 8 8 7 6 2 3 6 2 2 3 3 3 2 1 2 8 1 5 5 3 1 5 4 4 4 8 8 2 17 13 6 3 7 3 7 4 4 5 4 2 1 2 2 1 2 6 2 4 1 1 2 2 3 4 2 3 1 1 0 1 4 10 14 14 5 2 0 1 1 1 1 0 1 1 1 1 1 1 2 4 5 5 5 6 6 6 4 11 3 7 6 8 10 30 54 24 7 13 9 11 13 11 10 5 23 37 100 69 41 39 19 18 9 5 2 6 9 8 3 2 5 2 1 3 2 5 1 6 15 32 21 23 13 24 81 54 31 13 4 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 4 7 5 9 9 12 12 5 10 8 11 24 51 22 43 22 27 20 5 4 3 6 5 4 3 2 3 5 2 2 1 3 3 3 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 52 51 t 2H J 32 \| 43 42 q 2H J 64 \| 21 21 m 2H \| 16 15 m 2H \| 14 14 m 2H \| 14 12 m 7H \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C)cnc(Cn2cc(C#C[C@@H](O)CO)c3c(Cl)nc(N)nc32)c1C	ir: 30 8 6 9 7 11 7 3 4 8 14 6 5 6 12 7 5 3 4 10 20 15 11 3 9 7 5 5 5 3 5 6 4 3 4 6 7 14 12 26 48 15 22 5 5 8 8 3 4 10 5 4 5 9 4 1 3 4 3 0 1 2 4 7 4 12 8 12 7 4 1 3 5 4 1 2 5 6 3 3 6 4 5 4 20 26 24 56 85 14 7 7 5 5 3 3 2 2 2 2 2 5 4 4 9 8 3 1 3 1 1 1 2 3 0 7 6 4 1 3 3 3 2 3 5 6 6 2 5 7 15 7 10 4 4 5 3 6 5 3 6 3 3 7 20 61 25 15 5 5 17 49 14 35 8 9 3 3 13 2 1 1 1 2 2 1 2 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 3 3 1 2 3 2 5 2 3 2 2 3 4 3 9 8 4 3 2 3 9 12 8 8 39 100 42 29 8 1 3 4 2 1 6 30 10 13 3 3 3 2 2 2 2 3 3 12 67 10 4 4 1 1 2 2 1 1 2 1 1 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 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 s 1H \| 77 77 d 1H J 9 \| 62 62 s 2H \| 56 56 d 2H J 7 \| 46 45 dddd 1H J 14 34 48 62 \| 39 38 m 2H \| 38 37 s 3H \| 36 36 ddd 1H J 48 74 93 \| 31 31 d 1H J 62 \| 22 22 d 3H J 7 \| 22 21 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(C)NC(=O)c1ccc2c(n1)N(C(=O)Nc1ccccn1)[C@H]1CCN2C1	ir: 4 4 5 11 7 4 3 2 2 3 2 2 2 6 2 1 5 8 5 8 6 6 4 4 2 11 2 4 3 2 3 12 13 29 3 6 6 16 38 40 27 29 62 88 100 50 19 9 7 7 6 5 3 9 21 37 5 7 4 4 11 6 30 3 16 12 15 9 12 6 6 4 5 9 4 2 2 8 9 4 3 10 23 4 4 3 4 4 4 11 2 7 18 29 1 1 4 2 2 4 3 3 8 6 7 2 1 2 5 4 2 11 7 14 8 17 11 6 3 3 3 2 1 7 7 4 1 8 14 5 6 5 16 25 6 4 5 50 2 6 6 2 3 5 10 83 41 33 33 31 47 11 8 18 74 17 6 5 66 8 18 8 4 1 2 1 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 2 2 0 1 2 2 0 1 3 2 1 1 3 2 2 4 3 2 1 4 5 4 1 12 13 20 25 32 27 8 3 5 2 1 1 2 2 1 0 2 3 2 2 4 5 3 5 7 8 11 49 36 69 14 7 5 2 2 1 2 2 1 1 2 2 1 1 2 1 0 1 1 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 91 90 s 1H \| 84 83 dd 1H J 16 44 \| 78 78 ddd 1H J 16 69 77 \| 78 77 m 2H \| 75 74 d 1H J 93 \| 72 72 ddd 1H J 16 44 70 \| 71 70 d 1H J 81 \| 49 48 dddd 1H J 20 36 51 72 \| 40 39 m 2H \| 38 37 ddd 1H J 46 64 117 \| 37 37 m 1H \| 37 36 dddd 1H J 19 45 64 119 \| 36 35 dd 1H J 42 115 \| 33 33 dd 1H J 43 114 \| 32 32 s 2H \| 24 23 m 1H \| 22 21 m 1H \| 13 12 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C3=N[C@H](C(=O)OC)CS3)cc2c1	ir: 7 8 11 15 0 24 18 11 23 15 18 18 8 28 32 29 8 12 26 30 9 16 10 14 12 14 10 28 8 7 11 6 5 7 8 7 6 9 54 35 20 35 51 25 16 10 11 11 10 11 12 6 8 5 33 5 7 8 6 4 6 9 8 16 17 47 21 20 23 29 18 9 21 11 9 7 6 17 11 10 6 18 19 24 32 33 26 37 12 6 5 6 5 6 5 6 7 11 8 12 8 20 22 25 11 13 14 36 11 7 9 7 12 7 8 6 7 7 7 14 8 8 6 13 17 24 21 8 9 7 9 11 12 29 18 11 24 10 12 100 56 7 8 14 22 29 16 11 7 22 7 4 5 10 9 9 18 6 16 19 9 4 6 23 6 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 4 5 6 5 7 8 6 6 6 12 13 15 15 24 18 31 93 78 25 23 11 5 5 5 5 5 5 4 6 5 5 4 5 4 5 6 6 7 6 8 8 13 41 27 33 30 19 7 5 5 6 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 85 85 dd 1H J 17 41 \| 80 79 ddd 1H J 17 69 86 \| 79 79 dd 1H J 16 84 \| 75 75 ddd 1H J 15 42 70 \| 71 71 d 1H J 22 \| 70 69 t 1H J 22 \| 69 69 d 1H J 22 \| 54 53 dd 1H J 38 56 \| 42 41 t 2H J 49 \| 38 38 m 1H \| 38 38 s 3H \| 37 36 t 2H J 50 \| 36 35 dd 1H J 56 116 \| 36 35 s 3H \| 34 34 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2c(C)cc(Br)cc2[nH]1	ir: 5 2 0 2 4 2 0 3 5 4 3 26 7 2 1 5 9 10 15 4 6 7 100 23 5 2 2 4 3 2 1 4 3 1 2 4 3 2 10 16 3 1 2 9 6 0 2 4 3 0 2 4 3 3 4 5 5 3 3 5 3 1 9 9 12 7 11 6 15 5 10 8 3 3 4 4 2 1 3 3 2 2 3 3 2 2 3 13 41 3 4 3 1 1 4 3 1 2 4 3 4 2 5 3 9 6 72 19 2 3 6 18 5 3 4 2 1 3 5 3 6 3 5 2 1 3 4 2 3 4 5 1 1 4 88 56 2 3 3 2 2 3 3 10 19 27 3 3 3 4 43 10 1 4 3 1 2 5 3 1 2 10 10 1 3 5 3 1 2 4 3 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 4 2 1 3 4 1 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 2 2 4 4 2 2 4 4 2 3 6 4 4 4 7 8 6 25 54 32 20 8 7 4 2 5 11 7 1 3 4 5 5 3 4 2 1 4 4 2 3 4 6 43 23 21 17 14 6 4 3 2 3 3 3 2 2 3 3 1 2 3 2 1 2 4 2 1 2 4 3 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 75 75 d 1H J 22 \| 74 74 d 1H J 20 \| 25 25 s 3H \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(CC(=O)O)n1ccc2cc(NC(=O)Cc3ccc4c(n3)NCCC4)ccc21	ir: 9 4 10 4 1 3 4 11 6 29 19 14 9 9 3 3 9 26 15 8 27 53 51 8 17 9 4 4 5 10 19 17 4 7 5 10 32 17 45 18 4 28 7 6 16 18 5 3 4 4 15 5 5 22 16 13 14 9 4 0 2 2 2 0 8 11 12 20 2 2 3 1 1 6 2 8 6 32 32 28 5 4 2 2 2 6 2 6 3 4 2 11 5 5 3 3 6 3 4 13 4 3 9 6 8 3 8 5 1 2 12 8 4 3 3 5 3 8 5 8 8 8 6 7 6 3 7 8 7 2 2 2 3 1 6 6 3 11 7 12 100 74 17 84 18 7 39 31 23 43 17 7 17 17 19 12 5 6 15 24 2 0 1 2 12 2 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 1 0 1 1 1 0 0 0 0 0 0 1 1 0 1 0 0 1 0 0 1 1 0 1 1 1 1 0 1 0 1 1 1 0 0 1 0 1 0 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 5 5 4 4 2 3 2 1 3 2 6 12 11 10 29 44 10 12 4 17 5 2 2 18 7 3 3 2 2 3 1 4 2 3 10 6 18 27 39 70 69 32 11 7 3 1 3 3 2 1 1 1 2 2 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 94 93 s 1H \| 78 77 t 1H J 21 \| 77 76 dd 1H J 20 81 \| 75 74 d 1H J 78 \| 73 72 m 2H \| 71 70 dt 1H J 8 79 \| 66 66 dd 1H J 22 52 \| 46 46 t 1H J 38 \| 43 43 tt 1H J 45 59 \| 36 35 d 2H J 10 \| 34 34 m 2H \| 27 26 m 3H \| 24 24 dd 1H J 60 159 \| 20 18 m 3H \| 16 15 m 1H \| 15 14 ddtd 1H J 61 70 121 130 \| 14 13 ddtd 1H J 62 72 123 131 \| 9 9 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc(SC)nc1Nc1ccc(Oc2ccnc(C(N)=O)c2)c(F)c1	ir: 3 1 2 3 2 2 1 2 3 1 2 1 1 3 6 16 11 6 4 2 6 3 2 3 4 2 2 2 3 5 9 17 16 3 5 3 2 8 9 12 46 11 14 7 3 1 3 2 3 1 1 1 1 3 2 9 22 3 3 0 1 2 2 3 3 3 5 4 9 9 3 1 2 4 7 2 1 3 8 3 1 1 1 1 2 3 3 3 2 1 1 1 2 2 2 2 2 4 2 1 1 2 2 1 1 1 2 9 2 4 5 21 7 2 1 2 2 2 3 2 2 1 0 1 2 2 3 3 7 5 3 10 5 3 1 1 6 7 0 1 1 3 6 4 2 2 8 2 2 1 4 7 3 3 7 8 12 100 71 6 3 14 2 10 22 1 2 2 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 2 3 7 3 9 37 9 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 4 5 1 1 2 3 2 3 20 33 7 6 3 5 32 4 2 1 1 1 1 1 1 1 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 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 87 87 s 1H \| 86 86 d 1H J 49 \| 76 75 d 1H J 21 \| 72 71 m 2H \| 70 69 dd 1H J 47 83 \| 69 68 dd 1H J 22 49 \| 68 68 s 2H \| 43 42 q 2H J 64 \| 26 25 s 3H \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(SC(=O)N(C)C)cc(C)c1Br	ir: 6 24 16 54 100 48 24 6 3 7 12 4 2 5 7 3 1 6 9 4 3 7 6 2 2 5 6 3 3 5 6 2 3 13 11 2 2 6 5 1 3 6 4 1 3 6 4 1 3 6 4 1 3 7 4 2 4 7 4 0 7 11 10 32 53 16 13 9 17 22 42 38 13 7 7 3 7 7 9 13 6 9 6 4 5 6 3 3 5 6 3 8 26 46 3 3 6 4 1 3 6 5 8 5 11 16 21 7 7 5 4 11 29 44 27 12 21 11 20 10 16 11 8 6 7 5 4 7 20 13 3 10 14 30 9 8 6 4 3 7 5 3 5 17 39 5 3 5 4 2 3 5 4 3 26 26 5 2 4 8 5 1 3 6 4 1 3 6 4 1 4 7 4 2 4 6 3 1 4 6 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 4 1 3 6 4 1 3 5 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 5 5 2 2 5 4 2 3 5 4 2 3 10 9 3 4 6 5 3 5 8 6 4 6 10 10 19 21 12 17 38 17 10 6 4 8 8 4 2 4 6 4 3 4 5 3 2 4 5 3 2 4 5 3 2 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5; 1HNMR: 71 71 s 2H \| 31 30 s 5H \| 23 23 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CNC(=S)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O	ir: 9 9 9 11 13 10 11 10 12 10 10 11 12 18 12 15 13 11 19 20 29 32 52 11 8 18 12 13 10 12 12 13 20 16 19 42 67 34 16 15 15 11 11 9 11 11 13 10 10 12 15 28 32 20 14 19 21 22 11 13 9 10 9 9 9 9 9 10 9 9 9 11 9 10 9 11 14 13 16 57 14 11 10 10 11 10 11 11 11 9 10 9 10 11 28 15 19 19 32 19 13 12 17 31 25 12 11 10 10 12 12 16 13 14 12 14 11 11 12 11 12 11 15 15 28 32 22 11 11 12 11 11 15 10 9 9 9 13 18 12 11 10 16 35 11 14 16 12 10 11 10 8 8 13 25 100 10 10 10 0 81 0 8 13 10 6 8 11 9 7 9 10 9 7 9 10 8 7 9 10 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 9 9 9 9 8 9 9 9 9 9 9 9 8 9 9 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 11 12 11 11 10 12 9 10 18 13 10 10 13 11 17 69 43 33 13 11 12 21 71 11 8 9 10 9 8 9 9 8 8 9 10 16 27 25 17 13 12 11 9 9 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9; 1HNMR: 99 98 t 1H J 69 \| 44 42 dp 2H J 66 361 \| 42 42 d 2H J 68 \| 21 19 m 4H \| 18 17 m 4H \| 17 16 m 4H \| 15 14 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Oc1ccc(CN2C[C@@H](C)OC2=O)cn1)C1CCCCC1	ir: 2 3 8 34 10 4 4 4 5 3 2 3 3 2 4 3 2 3 3 3 3 2 2 3 4 4 3 4 8 9 4 4 12 23 31 38 16 100 20 36 22 27 16 7 5 3 6 5 10 8 8 11 6 24 31 16 4 4 3 4 5 4 3 3 3 2 3 3 3 29 3 4 4 5 6 6 12 7 5 8 3 6 9 5 9 5 6 8 5 5 8 7 4 3 4 6 4 3 2 4 3 5 5 3 15 15 6 5 5 14 11 13 8 8 6 7 8 12 27 28 15 11 15 9 11 6 4 5 10 6 5 2 16 40 6 6 14 11 15 3 2 2 3 3 3 2 3 5 15 56 25 92 24 6 3 5 3 2 2 21 11 6 3 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 4 3 3 2 3 4 4 4 3 6 7 9 11 17 28 15 8 22 13 7 5 3 4 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 82 81 dt 1H J 10 20 \| 75 74 ddt 1H J 9 19 86 \| 69 68 d 1H J 86 \| 49 48 qdd 1H J 13 31 61 \| 48 47 dt 1H J 9 141 \| 47 46 dt 1H J 9 143 \| 45 44 dq 1H J 62 73 \| 37 36 dd 1H J 14 116 \| 34 34 dd 1H J 32 116 \| 20 18 m 1H \| 17 16 m 2H \| 16 13 m 15H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1Cl	ir: 9 7 4 3 2 2 1 1 5 4 1 3 2 1 0 1 1 2 0 1 1 2 3 2 3 5 5 20 28 11 15 24 9 8 26 7 4 9 8 14 20 9 3 4 1 2 1 1 1 3 1 2 8 17 16 4 5 3 1 0 1 3 3 1 2 5 2 0 15 0 1 2 1 1 1 7 1 1 2 1 1 1 1 1 1 1 0 1 1 1 0 0 1 8 1 1 3 11 18 10 2 2 0 0 2 4 13 7 3 12 7 1 1 1 0 1 2 2 6 5 4 2 2 1 2 1 1 9 9 16 7 5 2 2 1 4 30 2 3 1 0 1 2 2 34 100 9 21 21 14 24 14 10 4 4 40 21 4 3 1 1 1 2 9 17 2 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 3 1 2 1 1 1 0 1 1 1 1 2 3 7 7 16 7 11 32 20 3 3 1 1 1 2 1 1 2 3 2 1 1 0 0 1 2 1 3 11 11 18 37 71 12 8 3 2 1 2 1 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 s 1H \| 75 74 dd 1H J 20 82 \| 74 74 d 1H J 83 \| 72 72 d 1H J 22 \| 72 71 s 1H \| 27 26 dt 1H J 65 130 \| 15 14 s 8H \| 12 11 d 7H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(COc2cccc3c2ccn3CC2CO2)cc1	ir: 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 5 7 5 7 4 6 15 9 12 37 24 18 9 5 2 3 4 20 19 23 3 2 2 1 0 1 1 1 1 1 1 1 1 2 2 2 4 3 5 4 5 2 3 2 2 3 9 6 3 2 4 5 6 3 3 2 1 1 1 2 5 1 3 2 2 1 1 6 6 7 4 3 5 6 2 2 1 1 1 1 1 1 2 1 1 1 1 1 2 4 1 4 4 4 1 3 3 4 3 2 1 1 2 5 4 1 4 3 1 0 3 38 11 9 6 4 1 10 6 3 4 5 3 7 7 6 2 1 12 11 2 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 3 3 1 1 2 1 2 3 3 13 7 17 18 100 48 38 11 14 8 4 2 2 2 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 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 74 dq 2H J 11 65 \| 74 73 m 3H \| 73 73 m 1H \| 72 71 m 2H \| 69 69 dd 1H J 12 75 \| 68 68 d 1H J 55 \| 51 51 d 2H J 10 \| 40 40 ddd 1H J 8 29 128 \| 38 38 ddd 1H J 9 29 128 \| 34 34 m 1H \| 28 28 dd 1H J 23 70 \| 26 25 dd 1H J 22 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(OP(C)(=O)Oc2ccc(C)cc2)cc1	ir: 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 5 4 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 2 1 4 4 1 0 0 0 0 1 1 1 0 1 2 2 1 14 30 13 8 3 1 4 16 4 1 1 3 1 3 2 4 4 22 11 3 3 3 4 2 1 1 1 4 5 100 2 1 2 2 1 8 2 3 4 1 1 1 0 0 1 1 2 2 0 0 0 1 0 0 1 1 2 0 0 0 0 1 0 2 2 17 10 15 10 6 2 2 1 1 1 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 7 45 1 15 2 5 16 3 2 1 0 0 0 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 1 1 0 1 2 3 4 6 11 4 6 6 3 18 20 20 8 4 3 2 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 m 4H \| 71 71 m 4H \| 24 23 d 6H J 9 \| 18 17 d 3H J 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCC1CCN(S(=O)(=O)c2cccc3ccccc23)CC1	ir: 5 2 0 5 16 11 1 3 5 2 0 19 23 8 2 10 5 3 7 10 5 3 3 4 3 1 2 3 3 1 1 4 3 1 2 4 4 1 2 7 12 6 8 12 15 100 75 62 11 19 3 6 4 6 14 14 8 2 4 7 3 3 5 15 22 4 20 55 23 7 17 40 18 26 22 58 8 3 38 33 7 8 8 18 12 22 65 55 5 3 4 5 13 17 5 4 8 6 5 10 6 2 5 5 10 20 21 24 25 4 5 3 2 4 4 3 1 2 4 3 2 6 16 12 3 3 5 6 3 8 11 9 36 32 21 8 12 11 13 4 6 4 4 2 2 4 9 20 11 6 7 18 17 5 4 2 3 17 11 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 2 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 3 3 4 7 4 1 3 4 4 3 3 9 9 7 35 39 32 61 20 4 3 2 3 2 2 2 6 8 7 20 45 41 7 4 5 4 3 13 22 5 3 3 3 3 2 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 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 3 2 1; 1HNMR: 86 85 m 1H \| 80 79 m 2H \| 80 79 dt 1H J 16 76 \| 78 77 dd 1H J 74 89 \| 76 75 m 2H \| 33 32 ddd 2H J 66 92 128 \| 32 31 ddd 2H J 66 93 128 \| 27 26 td 2H J 43 64 \| 20 19 dddd 2H J 52 66 93 120 \| 18 17 dddd 2H J 51 66 92 119 \| 17 16 m 1H \| 14 13 t 2H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nnc(OCc2c(-c3ccccc3)noc2C)cc1C	ir: 1 4 8 15 38 34 11 7 6 5 2 2 2 1 2 6 10 8 7 22 39 13 7 2 2 1 1 1 2 2 4 9 15 21 7 7 2 2 2 2 5 14 53 9 3 0 1 1 1 1 1 2 1 0 1 1 1 0 1 3 2 0 2 25 20 10 4 7 17 24 50 38 15 9 6 2 6 4 5 51 3 2 2 2 1 2 1 2 1 1 1 2 1 1 0 1 1 1 1 2 4 29 20 2 1 1 1 2 5 5 21 10 6 28 19 19 11 6 18 5 6 4 5 5 6 1 5 42 13 5 24 34 15 3 14 10 1 3 2 2 11 7 24 44 16 16 9 12 17 17 4 1 4 2 2 1 1 4 27 16 3 2 0 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 1 1 1 1 2 2 4 2 3 1 2 3 2 6 5 6 7 1 5 11 32 13 44 100 76 39 9 2 3 5 2 3 2 2 1 0 1 1 1 1 1 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 75 m 2H \| 75 74 ddd 2H J 10 74 81 \| 74 73 m 1H \| 72 71 s 1H \| 56 56 s 2H \| 44 43 q 2H J 64 \| 25 25 s 3H \| 24 24 s 3H \| 14 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(Oc2c(Cl)ccc(CN)c2F)c(F)c1	ir: 0 1 2 1 1 1 2 1 1 1 1 0 1 1 1 2 2 1 1 0 1 1 1 1 0 2 3 1 2 6 11 12 3 3 1 2 10 17 2 4 7 0 2 3 3 2 2 7 21 37 21 9 9 3 29 46 50 24 21 8 9 2 2 2 2 3 6 14 64 30 10 7 8 100 78 7 12 24 8 3 8 11 3 2 3 5 3 6 4 3 1 3 4 4 3 3 4 4 2 2 7 9 7 3 2 4 7 5 2 1 1 1 0 1 0 1 2 4 3 4 9 7 1 3 21 12 10 8 23 9 7 19 53 79 46 11 3 5 4 4 7 13 27 4 2 1 4 4 5 13 1 43 23 16 1 1 1 1 6 5 1 1 1 1 0 0 1 1 1 0 1 1 0 1 0 0 0 0 0 1 1 0 7 1 0 1 0 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 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 2 3 3 5 19 40 76 32 12 6 5 4 3 2 1 2 12 5 2 14 35 38 11 10 4 13 5 5 25 19 4 3 1 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0; 1HNMR: 75 74 m 2H \| 72 71 d 1H J 82 \| 71 70 m 2H \| 40 39 tdd 2H J 9 37 62 \| 19 19 t 2H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCSC(c2ccccc2)S1	ir: 3 2 6 13 1 1 3 2 1 3 3 2 6 9 5 1 1 1 1 2 2 2 4 3 6 2 16 13 15 30 100 10 14 36 11 8 9 11 17 16 63 20 4 3 3 2 8 6 5 3 2 1 4 15 5 7 7 2 2 1 1 1 2 6 1 1 1 5 17 24 1 1 1 2 3 1 2 7 5 2 1 1 2 10 15 6 7 13 8 2 2 2 2 1 5 8 8 5 1 1 2 1 0 1 4 3 2 17 20 4 1 4 9 9 6 6 15 20 37 8 2 2 7 6 3 6 2 1 2 1 1 3 4 3 33 24 2 7 32 47 19 13 31 57 10 6 6 5 5 2 2 6 7 1 2 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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 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 2 6 8 12 12 9 8 9 10 9 7 45 68 19 16 41 44 12 6 7 5 4 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; 1HNMR: 74 73 m 2H \| 73 72 m 3H \| 56 55 d 1H J 9 \| 31 30 ddd 1H J 38 59 134 \| 30 29 ddd 1H J 38 59 136 \| 27 26 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]nc2c1c(=O)n(C[C@@H](F)CN)c1cc3c(cc21)CCCC3	ir: 7 3 17 7 2 2 5 4 19 53 25 4 7 4 2 3 3 2 2 1 1 2 2 1 1 3 2 1 1 2 1 1 2 3 4 2 1 1 2 1 2 3 2 5 6 11 21 30 43 77 93 95 28 7 25 38 28 28 16 6 3 5 7 2 7 8 7 15 35 25 21 9 25 58 32 3 29 19 6 7 7 7 8 3 22 25 3 2 4 4 1 2 3 20 22 14 6 3 0 2 7 8 13 16 4 9 6 17 22 42 30 13 9 11 12 21 26 11 7 7 8 13 6 9 9 19 10 18 41 20 13 22 31 26 41 12 7 20 14 4 3 1 2 2 2 2 5 7 3 0 14 21 1 2 4 30 40 51 69 4 1 1 2 2 4 24 15 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 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 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 2 3 4 4 5 6 4 4 4 5 5 5 18 28 17 8 57 28 14 4 1 3 3 3 2 5 3 4 7 17 48 49 25 18 12 16 9 16 100 67 2 6 8 17 4 3 2 0 0 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 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 t 1H J 9 \| 73 73 t 1H J 9 \| 48 48 p 1H J 43 \| 47 47 p 1H J 43 \| 43 42 ddd 1H J 45 138 170 \| 41 40 ddd 1H J 45 138 170 \| 32 30 ddtd 1H J 44 70 132 173 \| 29 28 ddtd 1H J 44 71 130 173 \| 28 27 m 4H \| 26 25 s 2H \| 22 22 td 2H J 39 70 \| 18 17 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-c2ccn[nH]2)c1	ir: 2 2 4 2 1 2 0 2 2 5 4 5 8 12 1 7 5 3 12 11 8 3 5 3 8 0 4 4 2 3 1 4 4 1 2 3 3 2 4 3 5 4 12 26 21 20 51 12 17 9 9 6 5 0 4 9 17 4 7 3 6 6 3 1 2 15 4 9 5 6 2 4 2 2 4 3 2 1 4 5 4 9 20 5 3 3 3 3 1 1 1 1 1 2 1 1 1 1 1 1 3 1 3 1 2 6 5 4 4 2 4 5 6 3 3 4 3 4 4 7 2 2 6 3 6 4 4 2 3 6 10 17 7 8 22 4 3 3 3 12 13 5 3 4 6 4 6 41 9 4 1 4 8 8 19 8 23 21 100 2 22 14 4 3 5 4 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 1 0 0 1 1 1 0 0 1 1 0 0 1 0 1 1 1 1 1 1 1 1 1 2 2 1 1 3 3 3 14 7 9 2 2 1 1 1 1 1 1 1 2 3 10 10 1 5 4 2 1 4 9 15 25 36 67 25 11 6 8 35 8 3 1 2 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 \| 87 86 s 1H \| 81 81 s 2H \| 77 76 ddd 1H J 11 21 77 \| 76 76 t 1H J 21 \| 76 75 d 1H J 33 \| 74 73 t 1H J 76 \| 72 72 ddd 1H J 13 22 75 \| 69 69 d 1H J 33 \| 61 60 d 1H J 77 \| 39 38 m 1H \| 34 33 m 1H \| 20 19 m 3H \| 18 17 dddd 1H J 22 62 87 148 \| 17 16 m 2H \| 17 14 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cn(-c2cccc(-c3cnn(C)c3)c2F)nc(C(=O)N(C)OC)c1=O	ir: 2 4 16 5 8 4 6 4 4 10 13 4 5 6 10 9 11 7 17 10 6 9 6 7 3 2 4 5 4 1 5 1 2 2 1 2 9 2 2 5 6 1 1 1 1 4 1 3 20 20 8 27 15 6 2 1 4 16 9 7 5 2 2 3 9 21 10 10 14 17 3 2 12 10 5 1 5 7 12 13 1 2 4 1 1 2 2 21 3 2 11 4 2 2 5 2 3 3 1 3 5 4 2 1 1 1 1 1 1 1 5 7 4 5 4 6 6 4 3 3 4 3 6 5 8 3 3 37 10 2 0 14 8 2 1 21 8 17 26 4 2 8 2 2 1 1 2 6 2 6 22 100 4 6 3 0 2 7 1 1 1 7 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 3 4 2 9 4 6 4 7 32 25 6 92 26 8 7 4 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 d 1H J 21 \| 78 78 s 1H \| 77 77 d 1H J 20 \| 77 76 ddd 1H J 13 40 90 \| 76 75 ddd 1H J 12 37 80 \| 75 74 dd 1H J 79 90 \| 39 39 s 3H \| 38 38 s 3H \| 37 37 s 3H \| 31 31 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1C	ir: 2 3 3 7 5 2 1 1 1 1 1 3 2 1 1 1 2 3 3 5 1 1 1 0 0 1 1 0 0 1 1 1 2 1 6 1 0 1 1 2 2 1 1 1 1 1 1 1 2 1 3 5 10 18 25 100 28 3 7 1 1 2 1 0 1 2 3 10 3 10 2 1 1 2 3 2 2 6 5 2 1 2 3 1 4 2 8 7 5 2 1 1 1 2 1 1 9 2 1 1 1 2 1 6 3 1 1 1 1 1 1 1 7 11 16 9 3 8 3 8 5 6 5 5 5 6 8 3 2 2 2 11 3 1 1 1 1 1 1 1 31 1 1 1 1 4 4 6 4 18 2 1 13 4 1 0 2 25 0 2 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 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 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 1 1 1 1 1 2 2 1 2 3 2 1 2 2 2 1 3 4 2 14 12 5 37 63 17 12 7 4 2 2 1 1 1 1 1 1 1 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 d 1H J 90 \| 75 75 m 3H \| 75 74 m 2H \| 74 74 dd 1H J 21 89 \| 45 44 q 2H J 64 \| 39 39 s 2H \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC/C=C/c1cc(C(=O)OC(C)(C)C)c(F)cc1OCC12CC3CC(CC(C3)C1)C2	ir: 4 7 3 4 2 7 2 2 1 23 20 5 2 1 1 0 0 2 1 0 0 1 1 0 1 1 3 4 1 4 7 1 1 1 2 17 3 12 3 1 1 1 2 3 1 2 1 1 2 3 1 0 2 2 1 0 2 9 7 2 2 3 4 3 3 8 6 4 11 23 11 0 5 6 3 9 11 6 14 4 4 2 3 1 4 3 1 4 2 2 0 1 1 1 1 1 2 2 4 1 12 3 2 2 1 2 3 8 19 15 13 27 6 7 3 5 13 7 6 7 4 7 2 7 3 8 10 13 11 5 1 27 9 15 9 6 10 4 2 1 1 0 1 1 2 1 1 1 1 1 1 5 85 69 16 3 1 2 2 16 1 2 1 1 1 10 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 2 3 2 2 3 4 3 5 8 1 5 6 8 11 24 32 23 100 8 3 2 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 81 80 d 1H J 38 \| 70 69 dt 1H J 13 154 \| 69 68 d 1H J 121 \| 61 60 dt 1H J 43 154 \| 41 41 dd 2H J 13 42 \| 38 38 s 2H \| 33 33 s 2H \| 21 20 m 3H \| 18 17 dt 3H J 57 130 \| 16 15 m 9H \| 16 16 s 10H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CN(C)c1cc2c(cc1Cl)NC(=O)CC(c1cccc(-c3nc(CO)co3)c1)=N2	ir: 3 3 3 6 25 9 4 6 5 4 9 9 2 3 12 9 5 13 4 5 14 30 14 4 4 13 9 8 10 21 23 57 30 31 90 31 10 9 6 7 6 10 6 2 13 15 28 21 17 6 12 14 7 6 4 10 5 3 6 13 8 9 18 13 8 3 6 43 52 26 3 11 8 8 5 5 4 6 5 9 11 6 18 27 34 48 20 57 64 87 65 11 24 8 2 6 6 4 6 6 21 31 16 7 10 9 12 4 8 4 5 5 7 25 5 8 6 3 3 9 8 10 12 14 15 9 27 38 33 12 9 10 11 38 15 4 3 2 3 2 11 10 6 33 17 5 3 2 4 14 3 18 10 22 14 54 99 15 3 0 1 4 2 0 3 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 2 3 6 7 6 4 5 3 11 6 3 35 69 28 100 62 9 8 7 8 8 10 26 12 11 6 2 2 2 1 1 1 2 3 5 5 9 8 48 41 24 21 8 3 2 1 1 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 s 1H \| 82 81 m 2H \| 79 78 ddd 1H J 12 22 103 \| 78 78 ddd 1H J 12 21 73 \| 77 77 s 1H \| 75 74 dd 1H J 73 102 \| 69 69 s 1H \| 47 47 dd 2H J 8 54 \| 38 38 s 2H \| 37 36 t 1H J 54 \| 33 32 d 2H J 49 \| 31 30 s 2H \| 21 20 dtt 1H J 50 68 135 \| 9 9 d 6H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1ccc2c(Br)c(O)ccc2c1)C(=O)c1cn(Cc2ccccc2)c2ccccc12	ir: 1 1 5 9 1 1 1 1 0 1 1 1 1 1 4 4 6 2 5 3 1 1 1 1 1 1 1 1 1 9 2 2 2 11 4 1 2 6 14 13 12 3 17 40 4 1 1 1 1 0 0 2 1 1 6 4 3 9 3 1 1 2 1 0 1 2 2 2 7 2 0 4 4 5 2 4 2 3 4 2 1 1 1 2 11 50 18 5 2 10 3 1 1 1 3 9 14 5 4 3 3 1 1 13 5 1 5 25 2 0 0 0 1 0 0 0 1 1 1 2 5 3 3 13 23 23 4 2 0 1 1 1 1 3 5 12 2 2 5 4 2 2 8 8 6 4 2 2 2 7 5 14 21 11 4 6 3 4 0 1 1 3 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 1 1 1 1 0 0 1 0 0 0 1 0 1 1 1 1 0 0 0 1 1 1 3 7 12 11 99 31 12 11 6 4 4 4 100 45 4 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 dd 1H J 13 69 \| 80 79 d 1H J 84 \| 79 78 dd 1H J 22 86 \| 76 76 dt 1H J 12 27 \| 76 75 dd 1H J 14 65 \| 74 72 m 6H \| 72 71 m 5H \| 56 55 s 1H \| 54 54 q 2H J 9 \| 46 45 d 2H J 9 \| 30 30 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NC1CCCC1	ir: 1 1 1 1 1 1 1 2 1 0 0 1 2 1 1 1 1 1 1 2 1 2 3 2 4 3 2 3 3 3 5 7 5 8 4 33 10 23 11 7 4 3 4 2 2 2 1 4 2 1 1 2 1 1 1 1 1 4 1 1 1 1 1 1 1 0 1 0 1 1 1 2 1 1 1 1 1 0 1 0 0 1 1 2 0 0 1 1 1 1 1 1 1 1 2 1 0 1 1 1 1 1 2 1 1 2 3 5 5 4 3 2 2 1 4 2 3 4 1 3 5 1 2 1 0 2 3 6 3 5 3 3 12 15 3 2 1 1 1 1 0 1 3 2 14 21 100 7 13 3 1 2 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 2 1 2 2 2 2 5 6 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 2 1 2 8 7 13 19 14 21 5 3 2 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 0 0 0 0 0 0 0 0; 1HNMR: 78 77 d 1H J 86 \| 66 66 d 1H J 77 \| 44 43 m 2H \| 41 40 dp 1H J 35 72 \| 37 36 m 1H \| 36 35 m 1H \| 23 21 m 3H \| 20 20 m 1H \| 19 15 m 9H \| 13 12 d 3H J 64 \| 11 11 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(-c2ccnc(NC(=O)c3ccco3)n2)cc2c1CCN(C(=O)OC(C)(C)C)C2=O	ir: 2 6 10 9 9 19 9 5 5 8 7 5 8 3 5 8 5 13 20 6 4 17 17 6 23 6 8 8 3 4 7 2 4 11 14 32 51 97 28 14 4 1 7 6 12 35 28 14 22 14 3 3 4 5 4 3 5 4 4 3 6 8 5 4 3 3 10 17 8 5 3 3 5 16 5 2 2 3 2 2 2 3 5 4 14 5 2 1 2 4 7 2 4 4 8 9 3 4 3 2 3 2 3 3 3 2 2 2 4 5 3 2 2 2 4 8 10 7 11 15 11 8 6 4 3 14 3 4 18 17 12 6 11 7 5 6 5 4 27 14 19 20 6 3 23 7 10 6 25 18 15 36 96 11 3 8 7 37 14 6 3 15 11 4 2 0 1 3 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 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 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 5 2 2 3 3 3 3 3 2 2 4 3 4 14 13 7 16 13 15 100 43 11 4 3 1 0 2 3 1 1 2 3 1 1 3 2 1 2 3 7 11 8 23 17 5 3 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 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; 1HNMR: 100 100 s 1H \| 85 85 d 1H J 44 \| 80 79 t 1H J 16 \| 75 75 d 1H J 44 \| 73 73 dd 1H J 16 51 \| 67 67 dd 1H J 16 51 \| 62 62 s 1H \| 42 42 m 2H \| 36 35 s 3H \| 30 29 m 2H \| 15 15 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC1(O)CCC(F)(F)CC1)c1cc(C2CCOC2)n2cccc(Cl)c12	ir: 6 1 3 5 9 9 5 5 5 4 3 2 2 3 4 1 3 2 2 4 4 1 9 3 9 4 3 1 2 2 3 12 11 10 5 3 3 5 6 4 6 2 2 1 2 5 21 46 39 19 7 9 6 3 2 2 5 1 3 4 2 3 1 1 3 2 3 1 1 2 3 2 3 8 8 15 11 24 6 6 2 1 1 1 3 3 2 3 2 3 3 7 19 31 11 12 11 7 2 3 3 5 7 2 3 2 3 4 4 17 9 8 6 6 5 6 4 2 1 3 6 5 5 9 7 8 12 18 20 7 8 4 5 6 2 3 2 4 1 3 6 15 4 26 19 17 3 6 27 18 11 20 2 4 5 1 1 2 1 0 0 1 2 0 0 1 0 0 0 1 0 0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 1 1 1 5 6 3 11 4 3 2 7 5 4 11 2 4 6 11 46 11 21 4 11 100 84 10 7 2 1 2 1 1 1 1 2 1 1 2 2 12 22 40 11 5 5 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 13 77 \| 77 76 t 1H J 59 \| 76 75 dd 1H J 13 73 \| 73 73 t 1H J 75 \| 67 66 s 1H \| 40 40 dd 1H J 29 105 \| 39 38 ddd 1H J 23 42 110 \| 37 37 m 2H \| 35 35 d 2H J 59 \| 33 32 m 2H \| 25 25 dddd 1H J 14 33 64 118 \| 23 22 m 1H \| 22 18 m 7H \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1c[nH]cn1)N1CCN(c2nc3c4ccc(F)cc4c4c(=O)[nH]ccc4c3s2)CC1	ir: 4 8 5 9 10 14 17 26 25 34 16 15 34 13 10 8 5 9 9 9 5 1 2 3 6 4 2 4 5 3 4 11 4 4 2 3 4 3 2 3 2 0 3 22 19 4 6 2 5 8 100 34 2 5 9 21 38 6 7 2 4 12 3 3 4 3 20 35 11 4 7 15 5 22 4 2 2 12 6 7 16 30 32 22 37 50 35 10 10 12 9 13 19 72 15 5 7 5 17 6 14 10 7 12 5 11 7 11 9 28 15 14 20 17 13 23 20 14 3 7 24 18 18 20 30 22 30 15 17 16 9 17 15 7 5 4 7 1 1 5 5 10 11 5 13 19 57 8 6 26 1 2 2 3 4 4 4 6 2 28 3 8 4 2 2 2 1 26 48 2 56 0 2 3 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 2 3 6 4 10 10 12 12 9 5 4 8 7 7 63 32 42 83 62 91 57 30 12 8 13 4 4 7 14 35 50 16 9 4 3 2 3 2 2 3 22 51 14 3 2 4 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 82 dd 1H J 50 88 \| 81 81 dd 1H J 17 60 \| 81 80 dd 1H J 26 122 \| 77 77 dd 1H J 17 54 \| 74 73 t 1H J 63 \| 72 72 m 2H \| 39 37 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(O)CC1CCC(=O)N1	ir: 6 12 5 7 8 8 0 10 22 42 20 3 12 12 8 8 5 4 5 7 15 10 19 16 21 33 46 38 50 21 15 11 6 9 4 7 6 7 1 5 3 3 3 6 12 17 6 5 5 2 4 7 6 2 2 3 10 4 3 5 5 9 4 3 3 1 7 8 2 3 4 5 3 4 4 7 20 5 2 1 2 5 2 5 5 5 14 97 65 63 25 5 0 1 8 13 20 9 7 14 14 5 4 13 8 4 4 5 12 7 4 5 22 17 16 20 3 7 14 8 14 8 7 2 4 9 14 9 4 16 7 3 1 4 4 5 5 6 4 2 1 3 4 10 9 7 10 8 3 4 4 9 26 62 100 31 11 3 1 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 0 1 1 1 1 1 2 2 1 2 3 2 3 7 6 10 6 4 4 6 6 5 17 16 8 3 3 2 1 2 1 1 3 31 22 11 2 2 2 2 2 3 3 2 3 4 5 6 24 42 40 67 34 13 3 2 2 2 2 0 1 2 2 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 69 68 d 1H J 62 \| 43 42 td 1H J 58 80 \| 41 41 d 1H J 59 \| 38 37 m 4H \| 24 24 ddd 1H J 56 74 150 \| 23 22 ddd 1H J 55 73 150 \| 22 21 ddd 1H J 64 80 144 \| 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.
O=C(O)c1ccc2c(c1)Nc1nccnc1S2	ir: 3 5 4 3 5 4 5 4 7 7 6 13 19 15 9 6 5 5 7 6 25 62 54 30 5 6 21 11 21 5 4 4 4 4 4 3 4 5 4 4 3 10 8 4 3 3 3 3 3 4 4 6 5 4 5 4 6 3 3 3 4 4 3 3 3 3 4 6 8 8 3 4 11 8 6 4 5 7 60 47 7 4 5 12 9 6 13 8 7 6 5 4 4 3 3 3 5 4 3 13 26 5 3 3 3 3 3 3 3 3 3 4 5 4 3 14 11 12 2 3 4 3 4 7 8 4 3 3 3 12 6 3 3 3 3 3 3 3 3 3 4 4 6 6 9 14 12 5 6 21 5 14 12 4 4 6 7 4 3 3 3 3 3 4 5 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 4 4 4 22 14 7 3 5 6 3 1 4 10 77 100 12 0 4 5 3 2 4 4 3 3 5 4 3 4 6 12 16 8 8 8 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 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; 1HNMR: 90 90 s 1H \| 82 81 d 1H J 37 \| 80 80 d 1H J 37 \| 79 79 d 1H J 76 \| 78 78 d 1H J 21 \| 78 77 dd 1H J 21 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)[C@@H](CO)[C@@H]1c1cccc(C(F)(F)F)c1	ir: 2 1 1 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 3 1 1 3 1 1 15 8 1 1 0 0 0 0 0 1 1 2 18 4 3 1 0 1 3 1 3 1 1 0 0 1 1 1 0 1 1 4 4 20 4 3 1 2 3 3 3 1 1 1 4 2 2 2 2 26 37 4 2 6 8 39 11 10 4 3 13 2 2 4 5 17 2 1 1 4 5 0 1 1 1 0 1 2 28 5 2 2 1 4 1 2 2 2 1 1 1 1 27 6 1 0 2 1 0 0 0 0 0 1 4 12 1 1 2 6 1 1 0 0 0 0 0 5 0 1 1 0 0 1 1 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 2 2 2 2 2 2 2 1 1 1 1 1 2 2 2 7 1 18 47 12 6 3 1 6 3 82 100 42 5 4 2 2 3 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 2 1 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; 1HNMR: 75 74 m 4H \| 73 72 m 1H \| 37 36 ddd 1H J 38 57 112 \| 34 34 ddd 1H J 38 57 112 \| 19 19 dd 1H J 9 82 \| 18 18 t 1H J 38 \| 16 16 dt 1H J 56 82 \| 10 10 s 2H \| 9 9 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)S(=O)(=O)c1ccc(CBr)cc1	ir: 8 2 1 5 15 7 11 7 3 4 8 33 8 14 17 7 3 2 2 1 2 1 1 1 6 12 8 3 4 2 5 10 8 20 13 31 17 6 3 4 2 1 2 1 2 2 1 1 2 3 2 2 3 5 38 100 8 0 3 10 42 4 5 9 10 30 26 11 14 4 4 4 2 1 2 2 1 1 4 4 2 4 5 21 65 14 20 34 14 20 42 92 52 8 2 1 3 4 2 3 2 2 1 1 1 2 3 3 2 2 2 1 1 1 1 1 1 3 4 9 4 6 4 5 9 22 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 14 5 5 2 1 5 4 1 1 1 1 1 0 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 1 1 1 1 1 1 2 3 10 11 18 32 11 2 4 5 2 0 2 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 78 77 m 2H \| 75 74 dt 2H J 9 91 \| 45 45 d 2H J 9 \| 28 28 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-c1ccc(Cl)cc1	ir: 0 1 2 1 2 3 4 3 1 1 1 0 1 1 1 9 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 5 1 1 0 2 9 21 29 4 2 4 1 1 1 1 1 2 2 15 51 8 1 1 3 1 1 7 1 1 4 1 1 21 3 7 8 2 3 14 6 1 2 1 1 1 2 3 5 1 2 5 22 1 1 0 1 1 1 1 1 4 1 1 1 2 0 0 1 1 1 1 1 2 1 0 1 1 1 0 1 0 2 5 2 3 3 6 4 1 1 1 1 1 1 0 1 1 2 1 4 12 10 2 26 82 3 1 2 1 10 52 44 6 36 2 4 2 1 2 2 1 1 3 1 1 1 8 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 2 2 3 2 4 13 58 100 53 21 5 2 3 2 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 75 dd 1H J 12 77 \| 75 74 m 2H \| 74 74 m 2H \| 73 73 td 1H J 12 75 \| 72 71 td 1H J 11 76 \| 70 69 dd 1H J 12 76 \| 39 39 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@H]1CC=CC2CN(Cc3ccccc3)CCN2C1=O	ir: 11 8 3 12 13 6 3 6 8 13 18 3 2 3 3 8 2 4 7 10 24 10 4 4 0 5 5 18 10 15 40 46 13 45 18 18 28 54 51 87 17 35 35 8 8 2 6 4 8 2 2 2 3 2 2 7 10 2 8 8 20 8 18 5 4 5 4 3 7 6 8 3 5 4 4 4 4 8 8 3 6 14 13 4 36 4 3 2 4 9 4 3 3 2 1 4 6 11 20 34 10 9 7 7 5 3 5 12 21 12 2 5 3 4 4 6 4 7 13 18 47 6 20 26 43 16 16 18 9 12 17 29 13 13 7 28 13 4 5 11 5 12 11 16 8 100 48 61 21 96 9 1 4 3 2 0 2 3 5 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 4 3 5 5 6 6 5 3 6 5 7 5 12 33 58 41 70 38 15 5 4 2 2 3 2 1 2 4 2 3 2 1 2 1 1 1 1 3 5 8 40 80 36 32 9 7 3 1 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 0; 1HNMR: 73 72 m 5H \| 62 62 d 1H J 90 \| 58 57 dddd 1H J 9 18 59 95 \| 57 56 dtt 1H J 17 73 107 \| 46 45 m 1H \| 43 42 tddd 1H J 10 19 48 57 \| 37 37 ddd 1H J 33 57 113 \| 36 35 m 3H \| 32 30 m 3H \| 29 28 ddd 1H J 8 47 99 \| 25 24 dtt 1H J 10 76 152 \| 23 22 dtt 1H J 10 72 156 \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(NC(=O)C2CCC=CCC2)cc1	ir: 5 3 6 3 2 2 1 1 2 1 2 8 13 20 2 9 18 6 8 17 57 100 99 16 14 5 10 5 6 4 9 13 22 16 14 25 13 24 18 5 8 6 4 5 5 4 2 4 4 8 4 4 7 5 13 11 25 24 14 1 1 1 1 1 2 2 1 1 3 3 3 3 2 1 6 6 6 6 49 58 4 4 2 1 2 4 8 5 4 4 3 2 1 1 2 3 5 5 3 4 2 1 2 3 22 3 1 1 3 2 1 3 3 7 6 37 4 7 6 6 5 3 8 4 5 5 2 5 1 2 3 3 3 3 3 1 3 3 7 1 3 7 23 18 17 34 15 4 2 4 9 18 70 19 25 14 3 0 0 1 1 0 2 10 3 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 4 3 1 2 4 4 3 4 3 9 12 71 37 15 6 4 3 3 2 1 1 7 12 2 2 0 1 1 1 1 1 2 2 2 6 21 22 20 14 4 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 90 89 s 1H \| 80 80 m 2H \| 77 76 m 2H \| 56 55 m 2H \| 27 26 m 1H \| 22 21 m 2H \| 21 20 m 4H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c(C)cccc12	ir: 0 1 0 0 1 1 1 1 1 1 0 1 1 1 1 3 1 4 5 5 1 1 1 1 1 1 1 2 1 1 1 1 1 0 0 1 0 0 0 1 1 0 1 1 3 9 26 37 12 5 1 1 1 3 3 2 1 1 1 0 0 1 1 1 2 2 2 1 1 2 2 2 1 1 1 1 4 4 1 1 1 3 3 1 1 1 0 1 1 1 1 1 6 6 6 1 3 1 1 1 1 1 1 3 7 6 6 2 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 4 1 1 0 5 1 12 4 2 1 1 1 0 1 1 5 8 8 2 0 1 1 1 1 1 2 22 21 7 3 1 1 2 3 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 2 2 2 10 7 12 4 25 100 49 12 6 4 1 2 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 m 1H \| 77 76 m 1H \| 74 73 m 2H \| 73 73 t 1H J 77 \| 70 70 m 1H \| 39 39 s 2H \| 27 27 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CC(C#N)c2ccccc21	ir: 15 6 6 9 4 21 4 3 3 3 3 2 5 4 2 2 2 1 1 1 2 1 3 3 2 1 1 4 3 2 1 4 1 0 0 2 2 1 1 6 8 7 27 54 6 2 2 1 4 2 1 2 1 1 2 3 2 1 1 1 1 0 2 3 2 3 3 10 5 3 4 4 2 3 5 21 3 1 1 1 0 0 2 2 1 3 17 16 7 1 2 1 1 1 3 2 7 16 8 7 2 2 1 1 2 4 9 19 7 6 4 9 2 5 7 2 3 10 25 9 2 4 7 3 1 3 5 5 6 4 7 3 2 2 2 1 2 20 5 3 18 3 6 11 30 6 36 3 3 26 3 0 1 1 1 0 1 1 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 5 4 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 2 2 0 1 3 2 2 2 4 2 2 4 11 10 9 5 12 13 3 10 100 11 6 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 74 m 1H \| 74 73 ddd 1H J 7 20 78 \| 73 72 m 2H \| 44 43 m 1H \| 42 41 p 2H J 63 \| 39 39 td 1H J 7 57 \| 27 26 dt 1H J 57 130 \| 25 24 dt 1H J 56 130 \| 12 12 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c2ccccc2c2cc(NC(=O)CC(C)CCOc3ccc(C#N)c(C)c3)ccc21	ir: 2 5 1 1 3 1 1 2 1 1 3 4 2 2 2 2 0 1 4 5 6 4 3 3 7 6 2 4 13 16 7 10 6 16 3 12 3 6 8 5 3 6 9 44 5 3 2 1 4 5 13 6 16 11 43 48 13 4 3 4 3 2 2 2 2 8 22 16 18 15 9 4 5 17 23 26 4 0 2 3 3 2 1 0 3 3 3 3 5 4 1 5 2 4 2 3 11 2 7 1 2 2 1 2 4 11 10 3 10 5 3 8 3 1 6 3 2 7 7 3 5 4 5 5 5 3 3 3 5 9 4 3 2 2 3 2 3 9 1 4 12 27 58 4 5 2 55 16 9 8 20 3 12 38 29 10 4 0 1 3 4 7 2 0 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 0 1 1 18 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 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 0 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 4 2 1 4 6 6 8 4 2 3 6 7 6 13 28 19 22 100 45 16 12 4 4 3 1 1 2 2 1 1 1 1 1 1 2 2 2 7 9 35 46 38 21 4 5 3 2 1 2 1 1 1 1 0 1 1 1 1 1 1 0 0 1 0 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1; 1HNMR: 90 89 s 1H \| 82 81 m 1H \| 81 81 d 1H J 20 \| 79 79 dd 1H J 15 65 \| 76 75 m 2H \| 75 74 m 2H \| 73 73 ddd 1H J 12 65 75 \| 69 69 dd 1H J 22 82 \| 68 68 m 1H \| 43 42 q 2H J 51 \| 41 40 dt 1H J 62 115 \| 40 39 dt 1H J 62 115 \| 26 25 dd 1H J 75 161 \| 24 24 s 2H \| 23 22 dd 1H J 76 160 \| 21 19 m 1H J 72 \| 19 18 ddt 1H J 62 70 140 \| 17 16 ddt 1H J 62 70 139 \| 14 13 t 3H J 52 \| 10 10 d 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(CC[C@@H](Oc2cc(Cl)ccc2C#N)c2ccccc2)CC1	ir: 5 9 7 5 10 5 2 4 7 6 16 6 5 3 2 1 2 2 2 2 6 2 4 4 2 5 3 2 3 1 2 5 12 7 3 2 1 2 4 0 4 40 3 2 2 1 2 1 0 1 0 0 1 4 68 9 2 1 2 2 3 1 2 2 3 1 5 9 11 6 1 12 2 1 2 4 2 2 1 7 15 5 4 4 2 4 1 2 2 2 10 1 1 1 5 1 3 7 2 2 1 2 1 3 3 2 1 1 1 3 1 1 1 4 4 5 6 5 14 19 19 10 9 7 3 2 4 3 2 2 10 8 1 1 5 11 8 4 5 3 8 3 3 19 17 1 2 3 13 8 4 100 8 3 1 1 1 0 1 3 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 2 2 2 1 2 1 2 2 1 1 2 4 5 5 12 13 8 40 43 10 2 2 2 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 d 1H J 84 \| 74 73 m 6H \| 73 73 m 1H \| 71 71 d 1H J 21 \| 56 55 t 1H J 55 \| 33 33 m 4H \| 29 28 dt 1H J 82 124 \| 27 26 dt 1H J 83 124 \| 26 26 m 4H \| 23 22 dtd 1H J 53 82 135 \| 21 20 dtd 1H J 53 82 136 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=CN(C)C)C(=O)CC	ir: 7 4 5 10 9 9 5 5 3 8 11 6 5 4 4 3 5 9 6 3 2 3 4 4 7 4 4 3 5 8 4 5 6 11 14 8 5 5 6 4 2 4 3 3 5 4 4 3 11 11 7 3 3 4 3 1 2 4 4 6 5 4 3 4 5 6 7 4 4 5 3 3 5 8 7 8 4 3 2 2 2 3 2 2 3 3 2 2 3 5 16 12 14 12 4 6 3 2 2 3 3 2 2 3 5 5 5 4 5 16 10 6 9 5 4 5 5 7 10 4 5 4 5 8 4 5 5 8 17 21 29 6 10 8 9 3 2 4 3 2 3 6 17 39 7 2 3 3 9 69 100 9 4 0 2 4 3 0 2 4 2 3 9 7 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 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 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 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 3 2 2 3 3 2 3 3 2 2 3 3 5 4 9 7 5 9 4 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 78 78 dt 1H J 10 21 \| 43 43 q 2H J 71 \| 27 27 d 6H J 10 \| 26 25 q 2H J 76 \| 13 12 m 3H \| 12 11 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCCN1c1cccc(Nc2cc(-c3cccc(C=O)c3)nn3ccnc23)n1	ir: 1 1 0 1 2 2 1 2 0 1 1 4 2 7 10 2 3 3 3 5 2 1 1 4 1 2 1 2 2 1 3 12 6 4 6 15 46 10 6 3 1 1 1 1 4 1 14 100 32 11 3 0 1 2 1 2 4 1 2 4 5 3 1 2 1 6 2 2 1 3 3 3 4 8 18 2 5 3 2 2 3 5 3 3 1 1 0 1 1 1 2 3 1 1 4 5 3 1 0 1 2 2 1 5 38 2 2 1 1 2 11 5 1 8 1 1 0 1 2 6 7 8 1 3 2 2 3 5 2 9 2 5 1 1 0 1 4 3 3 26 4 6 10 2 0 3 2 14 16 2 5 2 1 3 3 19 2 10 20 31 4 13 3 3 1 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 1 1 1 0 1 1 1 1 1 1 4 1 5 6 36 22 10 6 16 5 2 2 1 0 1 1 0 0 0 0 0 1 1 1 2 1 1 1 7 8 36 15 11 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 90 s 1H \| 82 81 t 1H J 22 \| 81 80 m 1H \| 80 80 s 1H \| 79 79 d 1H J 48 \| 78 77 ddd 1H J 12 22 71 \| 76 76 dd 1H J 72 79 \| 73 72 m 2H \| 72 71 d 1H J 46 \| 65 64 dd 1H J 27 57 \| 41 41 qt 1H J 48 61 \| 37 36 m 1H \| 35 34 m 1H \| 21 19 m 2H \| 19 18 m 1H \| 18 17 m 1H \| 12 12 d 3H J 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(-c2ccc(C)cn2)n(-c2nccs2)n1	ir: 1 2 2 4 1 2 3 1 1 3 2 1 2 4 2 2 1 24 4 3 2 2 7 3 2 3 3 8 2 4 4 4 13 4 4 3 7 74 6 2 2 3 2 2 4 6 6 7 3 5 7 13 4 4 3 3 4 4 4 29 24 12 5 0 6 2 4 3 5 3 4 24 8 5 32 16 4 21 4 3 15 6 2 5 8 4 7 4 6 12 46 7 5 5 10 24 5 8 3 13 16 36 6 3 13 17 79 7 17 8 19 8 16 12 47 16 14 11 2 6 8 3 7 10 8 3 7 15 22 12 7 9 5 8 7 4 3 2 2 3 5 5 1 3 3 1 2 4 2 0 1 6 4 7 73 29 1 4 6 3 2 1 1 3 2 8 7 2 2 4 2 2 2 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 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 2 2 3 3 3 3 5 4 3 4 4 4 6 7 4 8 10 9 9 12 29 46 28 35 100 36 43 40 13 11 5 2 2 3 4 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 86 85 m 1H \| 79 78 m 1H \| 78 77 t 2H J 17 \| 76 75 d 1H J 77 \| 73 73 d 1H J 33 \| 44 44 q 2H J 64 \| 23 23 d 3H J 10 \| 14 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC([C@H]2Cc3cc(Cl)ncc3O2)CC1	ir: 1 2 2 6 7 5 3 2 3 2 5 8 3 3 2 4 14 2 3 2 1 2 2 2 1 2 2 1 1 2 2 2 1 4 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 2 2 10 3 2 1 2 4 2 1 2 2 2 3 3 3 1 1 2 2 1 1 2 2 2 1 2 2 1 1 10 2 1 1 2 2 4 1 2 2 3 5 2 2 1 1 2 2 3 3 6 2 2 2 4 3 2 2 5 3 3 4 4 2 11 9 6 3 3 5 7 2 4 3 4 5 2 6 3 4 4 2 3 2 4 3 2 2 1 1 3 2 1 1 1 2 2 100 3 0 1 2 2 1 1 3 4 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 2 2 2 3 2 2 2 2 1 2 2 2 2 7 7 3 5 3 3 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 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; 1HNMR: 80 80 s 1H \| 72 71 d 1H J 9 \| 47 46 ddd 1H J 37 57 68 \| 36 35 ddd 2H J 59 85 121 \| 35 34 ddd 2H J 59 87 122 \| 32 31 ddd 1H J 9 38 145 \| 29 29 ddd 1H J 9 57 145 \| 19 18 m 4H \| 17 16 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.
CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Br)cc23)CC1	ir: 8 3 4 11 2 16 23 8 6 6 23 21 11 16 17 51 25 14 16 28 10 17 22 4 5 7 3 2 2 3 7 25 3 2 6 28 6 4 3 2 6 30 27 6 3 1 2 4 2 1 2 6 15 29 13 5 3 4 3 3 3 3 5 4 4 4 21 6 7 11 3 2 3 3 18 3 3 2 4 2 2 2 2 2 2 3 6 36 5 5 3 4 4 4 7 10 7 10 7 5 12 7 7 4 3 2 2 5 3 11 9 10 16 7 3 11 8 8 8 19 17 11 21 8 4 3 6 8 7 15 50 7 6 4 4 3 3 9 6 5 7 10 4 2 38 28 3 2 3 5 31 62 15 4 9 0 3 21 82 78 8 1 3 8 26 2 3 3 2 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 2 1 2 1 1 2 2 1 1 2 2 2 1 1 2 1 1 2 2 2 2 2 3 3 2 2 4 3 4 3 2 2 3 4 7 13 30 8 11 27 21 17 7 2 2 3 1 1 2 3 2 3 3 3 2 2 25 7 2 2 2 3 4 8 19 44 7 19 9 100 61 7 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 99 s 1H \| 83 83 d 1H J 21 \| 82 81 d 1H J 22 \| 81 81 s 2H \| 81 80 d 1H J 77 \| 70 70 d 1H J 22 \| 69 68 dd 1H J 22 77 \| 36 35 m 5H \| 33 33 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.
COC(=O)[C@H](O)CN=[N+]=[N-]	ir: 10 7 6 5 7 5 3 5 8 4 4 5 7 4 2 4 4 3 2 3 4 2 2 4 4 3 4 3 5 3 2 3 3 2 2 3 2 2 2 3 2 1 2 3 3 2 2 2 2 2 2 3 3 2 3 4 3 4 5 4 4 2 3 3 2 2 3 4 3 3 4 4 2 2 6 5 8 2 3 3 2 3 3 3 4 5 6 21 13 36 15 13 16 5 6 9 10 5 3 4 4 4 3 3 5 3 4 3 2 3 4 2 2 2 2 2 2 2 4 3 3 3 2 2 5 3 4 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 6 6 6 5 3 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 2 3 2 2 2 3 3 2 3 3 3 2 3 5 3 5 4 2 3 3 3 3 3 4 5 3 8 5 4 1 3 5 3 0 5 22 96 75 100 35 7 6 2 1 4 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 2 3 2 2 2 3 2 2 2 3 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 2 1 2 2 2 1 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 2 1; 1HNMR: 44 43 q 1H J 53 \| 38 37 dd 1H J 53 110 \| 38 37 s 3H \| 35 35 dd 1H J 53 110 \| 28 27 d 1H J 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1Cc2c(C(=O)O)c(I)nn2CC1C1CC1	ir: 11 4 9 9 8 3 4 3 1 1 2 1 1 1 2 2 1 2 3 5 2 7 8 2 1 1 1 2 0 1 1 1 1 1 1 1 3 12 6 1 3 8 56 6 2 6 6 2 1 2 2 1 1 4 3 1 1 1 4 1 3 7 3 1 2 1 2 2 1 1 0 2 5 2 2 1 2 1 1 1 2 1 4 5 6 12 13 17 4 3 2 1 3 3 3 5 3 5 3 3 1 1 2 3 2 2 1 1 2 3 9 12 10 7 7 4 10 7 9 8 4 2 3 6 3 2 3 5 30 12 14 18 3 4 1 3 2 7 4 3 2 4 7 9 12 11 14 11 8 1 2 3 2 1 1 1 0 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 7 5 5 5 2 7 6 6 10 7 19 15 19 50 21 20 25 7 3 7 14 13 5 6 59 100 14 4 2 1 1 1 1 1 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 0 0 1 1 0 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 47 46 d 1H J 157 \| 46 45 d 1H J 159 \| 42 42 dd 1H J 28 125 \| 40 39 m 2H \| 21 20 h 1H J 56 \| 15 14 s 8H \| 10 9 m 2H \| 8 7 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CN(C(=O)c2cc(-c3cc(F)cc(Cl)c3)n(-c3cccnc3)n2)CCN1	ir: 2 2 3 4 7 3 6 5 3 2 4 8 3 2 2 3 8 7 9 3 1 2 18 3 2 9 13 22 27 7 6 1 100 6 15 7 92 4 3 1 8 2 4 1 3 7 38 4 2 3 5 0 2 4 2 8 3 3 2 2 2 5 12 24 4 10 5 16 5 6 16 1 2 2 6 22 10 3 3 1 7 9 2 1 2 2 1 1 2 2 1 2 5 4 1 6 3 7 2 2 4 8 2 2 3 3 0 3 6 2 2 3 42 2 2 3 4 8 4 10 15 13 2 7 5 7 18 14 13 15 9 7 4 1 15 7 4 20 1 15 9 1 1 11 2 0 1 2 3 1 4 4 6 6 37 12 39 3 18 2 3 10 1 4 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 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 2 3 3 3 2 1 1 3 3 4 4 12 5 7 66 20 17 5 2 4 2 2 2 2 1 1 2 2 1 1 2 2 2 1 5 4 3 25 11 7 4 7 5 3 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 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 91 90 m 1H \| 85 85 ddd 1H J 14 21 36 \| 79 79 dt 1H J 21 73 \| 76 75 dd 1H J 37 72 \| 74 74 dt 1H J 22 121 \| 74 74 s 1H \| 74 73 t 1H J 21 \| 72 72 dt 1H J 22 121 \| 64 64 t 1H J 35 \| 40 40 s 2H \| 38 37 m 2H \| 35 35 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1c(Cl)c(-c2cccnc2)n2c1C(O)CCC2	ir: 1 1 2 2 2 0 0 1 1 0 1 1 1 1 2 0 1 0 1 1 0 1 0 1 0 3 1 0 0 1 1 1 4 8 1 1 1 1 6 1 0 1 1 0 0 1 0 0 0 0 0 1 0 1 1 0 1 2 1 1 1 1 3 8 1 0 1 1 2 3 0 1 1 0 0 0 0 2 1 0 1 1 1 1 1 1 1 5 4 42 8 2 2 3 1 2 0 1 0 0 0 0 0 1 0 1 1 1 0 0 1 3 9 2 1 1 1 1 1 1 2 4 2 1 0 0 0 0 0 1 0 0 0 0 0 0 3 2 1 0 1 3 1 0 1 0 0 0 1 0 0 1 1 1 1 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 1 0 0 0 0 0 1 1 6 2 1 2 4 1 1 0 0 0 3 100 6 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 20 \| 87 86 dd 1H J 17 48 \| 80 79 dt 1H J 18 68 \| 75 74 dd 1H J 48 69 \| 50 49 q 1H J 41 \| 46 45 d 1H J 38 \| 41 40 m 2H \| 22 20 m 2H \| 20 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCc1cc(Cl)ccc1-c1ccccc1	ir: 4 3 4 5 5 5 2 4 8 8 4 10 7 5 3 5 8 3 7 12 21 100 40 3 9 8 5 6 3 6 5 7 13 4 4 3 6 6 5 5 6 24 13 7 4 3 3 3 3 3 3 3 3 3 12 4 3 7 3 3 3 3 3 3 3 3 4 4 6 10 3 3 3 4 2 5 9 6 21 56 3 6 6 4 10 9 10 6 3 3 3 4 4 3 4 4 4 5 7 4 3 3 3 3 3 3 7 3 2 3 3 3 3 5 4 3 3 7 6 4 5 5 7 4 3 4 4 6 4 4 4 7 3 5 14 6 4 6 6 34 40 4 4 79 36 5 12 8 4 5 6 3 4 3 3 3 3 3 3 3 3 2 10 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 3 2 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 4 4 4 3 5 5 5 10 20 19 71 12 4 6 4 5 5 4 0 88 3 4 9 2 1 4 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 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 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 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 75 75 d 1H J 85 \| 74 73 m 5H \| 74 73 dd 1H J 26 86 \| 72 71 dt 1H J 8 25 \| 31 30 td 2H J 9 88 \| 27 26 t 2H J 87	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCOCCCCCCN1C[C@@H](c2ccc3c(c2)COC(C)(C)O3)OC1=O	ir: 2 3 2 3 2 7 4 2 1 3 1 1 3 1 2 4 1 1 2 1 2 2 4 3 4 3 7 8 4 6 3 2 3 6 5 12 4 6 12 73 12 10 7 3 11 7 5 0 3 3 4 2 4 24 38 5 7 4 2 3 5 4 3 2 3 3 6 3 13 13 11 9 10 5 4 3 4 2 4 1 2 2 1 15 4 15 4 6 7 2 2 7 3 6 8 14 40 6 2 3 4 6 6 7 19 5 3 6 2 5 7 3 8 7 4 4 3 6 10 6 21 30 10 12 10 19 5 8 13 9 1 4 5 15 6 4 7 7 13 6 4 2 4 22 4 0 0 4 4 3 39 100 3 7 4 0 2 2 2 2 2 2 3 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 2 1 6 3 4 3 2 4 7 5 4 7 20 44 17 10 27 15 6 8 7 8 7 6 6 3 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 73 p 1H J 10 \| 72 72 dt 1H J 9 77 \| 70 69 d 1H J 76 \| 58 57 m 1H \| 56 55 ddd 1H J 8 15 32 \| 52 51 ddt 1H J 13 24 165 \| 50 50 m 1H \| 47 46 dd 1H J 7 130 \| 46 45 dd 1H J 9 130 \| 40 40 dd 1H J 15 122 \| 38 37 dd 1H J 35 123 \| 35 35 td 2H J 9 61 \| 34 34 t 2H J 61 \| 34 33 m 2H \| 23 22 dtt 2H J 14 61 75 \| 16 15 m 3H \| 16 15 s 7H \| 14 13 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(N3CCOCC3)cnc(Cl)c2cc1F	ir: 3 4 3 4 1 3 4 3 2 4 3 2 2 3 3 5 10 4 7 16 20 49 71 17 6 29 73 36 8 57 10 9 12 11 9 17 14 6 16 6 7 5 4 3 23 4 3 4 4 45 8 3 3 17 92 14 18 16 8 7 18 10 8 3 9 6 6 16 63 42 41 43 28 36 5 6 3 3 1 1 5 7 1 1 5 6 10 17 14 6 3 10 18 5 6 16 44 100 19 8 4 4 4 9 4 4 7 23 8 5 1 5 5 8 4 5 7 20 25 58 22 24 11 11 10 6 6 9 8 16 27 19 26 21 85 56 16 3 3 3 3 9 39 10 2 2 2 1 2 2 4 2 2 2 4 2 24 17 3 3 22 4 1 2 1 1 1 14 3 0 1 3 1 0 1 3 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 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 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 2 3 4 7 3 3 3 7 7 5 5 3 2 3 8 3 5 52 13 17 80 24 29 14 3 3 4 2 0 2 3 1 1 2 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 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 79 79 s 1H \| 77 76 m 2H \| 39 39 s 2H \| 38 38 m 4H \| 32 32 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1c(OCCOc2cccc(C(=O)OCC)c2)ccc(C(C)=O)c1O	ir: 0 1 2 2 6 5 1 2 1 1 1 1 1 0 1 1 4 3 4 3 1 2 0 3 5 2 4 6 7 11 14 6 7 6 17 22 11 6 5 2 4 5 23 11 7 7 13 23 16 2 1 3 1 7 9 10 3 2 4 1 1 1 2 3 3 1 5 13 8 6 5 6 5 5 5 1 3 5 4 6 5 4 1 1 1 1 1 1 2 2 5 15 15 5 10 4 5 3 1 1 1 1 1 3 5 12 9 8 8 4 5 4 4 15 10 6 14 16 4 4 5 3 2 3 9 11 15 2 3 5 1 1 1 1 1 1 1 2 1 1 9 13 13 3 5 12 71 14 5 2 1 2 3 6 4 8 9 0 2 2 2 11 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 2 2 0 1 1 1 1 2 2 2 2 2 3 5 8 16 10 9 37 43 12 76 100 15 1 3 4 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 ddd 1H J 9 20 79 \| 77 76 d 1H J 82 \| 74 74 t 1H J 20 \| 74 73 t 1H J 80 \| 70 69 ddd 1H J 11 18 80 \| 66 65 d 1H J 84 \| 44 44 m 4H \| 44 43 td 2H J 9 47 \| 29 28 t 2H J 64 \| 26 26 s 2H \| 17 16 qt 2H J 63 74 \| 14 14 t 3H J 64 \| 11 10 t 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc2c(c1)COCCC2	ir: 7 5 1 2 0 7 5 11 19 3 2 2 1 2 1 5 7 19 21 9 6 8 10 5 1 2 5 6 9 4 3 1 0 1 1 1 2 4 3 2 1 1 1 0 1 3 6 2 7 6 19 9 9 9 20 15 4 2 1 4 15 15 16 16 4 9 9 9 15 7 21 10 43 8 3 1 1 1 2 2 3 2 1 1 1 3 2 1 2 5 16 4 10 7 5 11 7 5 4 2 5 2 0 1 1 1 1 1 3 7 5 11 15 9 26 7 6 10 2 9 8 13 11 7 5 6 9 7 8 5 7 5 21 5 10 11 2 1 1 1 2 1 2 8 6 1 0 1 2 2 11 46 2 2 2 7 6 2 1 1 1 1 2 10 3 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 2 2 3 3 10 3 5 5 2 3 1 4 13 9 19 10 34 43 100 59 15 7 5 3 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 73 72 dt 1H J 9 20 \| 71 71 dd 1H J 21 74 \| 70 69 dt 1H J 9 73 \| 46 45 d 2H J 8 \| 37 37 t 2H J 64 \| 28 27 td 2H J 9 90 \| 19 18 tt 2H J 64 89 \| 13 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)COc1ccc2cc(-c3csc(-c4ccccc4)n3)ccc2c1Br	ir: 9 10 6 7 6 3 6 3 2 4 5 3 2 2 3 2 5 6 4 2 6 7 3 2 3 4 3 2 5 7 7 4 3 3 2 4 3 6 5 0 12 2 6 10 5 4 9 11 4 4 8 12 4 4 20 4 13 4 2 3 10 10 3 2 4 2 6 6 32 11 7 3 3 7 5 4 3 3 2 2 2 4 7 3 4 23 5 2 5 12 4 1 11 4 3 7 6 2 16 2 4 3 5 2 3 3 10 11 2 2 1 2 2 2 1 2 2 2 1 2 8 22 7 3 5 6 8 7 4 5 2 3 2 4 6 8 4 2 2 3 3 2 3 35 9 25 8 6 4 2 2 11 9 2 2 7 5 4 10 7 2 2 5 4 2 1 2 2 2 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 2 1 1 2 2 1 1 2 2 1 1 2 2 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 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 3 2 2 2 3 4 2 3 2 2 3 3 2 3 15 32 39 100 24 17 5 4 6 4 3 14 20 7 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 83 82 m 2H \| 80 80 m 2H \| 79 78 m 2H \| 76 76 s 1H \| 75 74 m 3H \| 72 71 d 1H J 82 \| 47 47 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](OCc1ccccc1)[C@H](N)C(=O)O	ir: 2 1 1 2 3 4 2 2 3 2 1 4 2 4 7 3 4 5 3 13 10 37 93 28 8 8 6 4 1 4 3 3 1 2 1 0 1 5 5 13 9 5 1 1 2 2 2 1 2 2 2 2 8 3 2 5 2 2 2 2 4 6 3 4 5 4 15 8 11 12 9 10 8 9 13 11 17 13 21 20 24 13 3 5 6 5 2 1 4 6 1 2 1 1 1 4 2 3 3 2 2 2 1 2 5 3 1 2 2 1 0 1 1 2 1 2 3 2 2 2 3 5 8 7 6 4 7 5 7 6 15 9 28 14 9 7 3 4 2 1 1 3 5 16 8 5 6 2 1 1 1 1 1 1 1 1 0 0 1 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 1 1 1 1 1 1 1 2 2 1 1 2 4 2 3 4 6 3 9 11 7 5 3 2 2 2 2 2 15 13 5 4 4 3 12 11 6 13 15 17 13 41 100 10 12 4 2 2 2 2 1 1 1 1 0 1 2 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 m 6H \| 61 61 d 2H J 71 \| 46 46 m 1H \| 45 44 m 1H \| 41 41 p 1H J 52 \| 40 39 tdq 1H J 16 57 73 \| 13 12 dd 3H J 16 52	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cl)ncnc1N1CCc2ncccc21	ir: 0 2 3 2 11 2 3 1 1 1 2 10 5 4 2 2 3 5 2 2 3 2 1 4 4 2 1 2 2 1 2 5 4 14 5 8 9 34 100 7 10 18 17 4 2 3 11 3 6 5 1 1 1 1 1 0 1 0 1 1 2 0 1 20 5 4 3 3 1 1 5 1 1 1 2 4 5 3 2 3 3 4 3 2 2 4 14 15 9 13 1 1 2 4 13 10 4 3 2 6 1 1 1 1 1 2 1 1 1 1 0 2 4 3 6 6 3 3 2 2 2 5 2 3 2 2 4 6 9 31 19 9 5 1 20 32 5 3 1 3 2 1 2 2 2 33 33 35 17 18 4 3 3 8 25 33 52 4 7 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 2 2 2 3 1 1 1 1 1 3 17 4 8 22 13 7 4 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 s 1H \| 83 82 dd 1H J 20 44 \| 74 73 dd 1H J 44 73 \| 72 71 dd 1H J 21 72 \| 43 42 m 2H \| 29 29 m 2H \| 24 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)n1ccc2c(Cl)nccc21	ir: 17 6 1 9 16 39 14 44 26 44 29 34 33 7 18 33 16 63 7 8 8 7 6 20 7 4 7 7 16 48 8 83 29 6 4 5 6 4 4 5 20 7 4 6 6 12 5 20 8 1 15 6 4 6 7 5 4 1 4 7 3 8 4 7 4 1 4 11 8 3 12 16 29 32 20 37 4 6 7 6 3 1 4 5 2 2 5 4 3 7 6 11 8 5 6 5 3 13 12 19 14 4 16 21 5 4 6 3 5 9 17 62 12 6 10 4 0 5 15 23 14 33 11 9 3 7 6 5 33 60 44 34 30 55 19 16 6 6 9 3 9 30 36 10 22 20 28 19 91 37 29 53 66 25 100 12 5 11 33 49 47 21 4 2 4 5 3 1 3 5 3 1 3 5 3 0 3 5 3 1 4 5 3 2 4 5 2 1 4 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 5 3 1 3 5 3 0 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 3 2 2 5 4 2 2 4 4 2 3 5 6 4 4 7 9 3 3 5 4 3 4 8 4 9 13 38 23 20 14 37 52 76 51 21 28 13 5 7 4 3 4 5 3 2 4 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 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 1 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 85 85 d 1H J 44 \| 79 79 dd 2H J 51 60 \| 67 67 d 1H J 58 \| 16 16 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(O)c1ccc(-c2cc3sccc3c(N3CCN(CC)CC3)n2)cc1	ir: 5 4 2 2 4 3 2 3 1 2 2 3 2 2 4 2 14 8 4 2 1 3 2 4 1 1 7 2 2 4 10 30 8 2 1 1 3 0 0 2 12 10 2 1 1 1 2 2 1 2 2 7 4 3 8 13 13 7 2 3 1 2 3 2 3 8 5 12 2 8 7 4 12 2 2 5 1 2 4 3 14 4 2 8 34 33 29 18 23 36 19 5 3 2 2 4 3 5 8 7 12 6 6 9 11 3 2 2 1 1 1 1 1 4 1 3 5 14 26 14 6 4 2 7 4 4 11 4 3 16 49 6 3 2 9 2 2 1 2 56 1 4 2 2 2 2 2 7 41 19 32 7 2 8 2 3 1 3 21 6 1 1 1 2 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 2 2 1 1 1 2 2 3 2 2 2 1 2 3 2 5 9 10 12 51 14 27 16 5 3 5 6 100 17 4 1 1 1 1 1 1 1 0 0 0 1 0 1 1 0 0 1 1 0 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 0 0 0 0; 1HNMR: 83 83 s 1H \| 79 79 m 2H \| 78 77 d 1H J 60 \| 74 73 m 3H \| 47 47 m 1H \| 36 35 m 4H \| 29 28 m 4H \| 25 24 q 2H J 70 \| 20 19 dqd 1H J 55 75 132 \| 17 16 dqd 1H J 55 76 131 \| 16 15 d 1H J 59 \| 11 10 t 3H J 70 \| 9 9 td 3H J 15 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CNC(=O)c2ccc3c(c2)N=C(Cl)c2ccccc2S3)o1	ir: 1 3 3 3 2 3 6 4 4 4 7 3 3 3 6 3 3 8 4 5 0 5 4 7 5 4 3 10 4 6 3 2 4 12 8 15 9 3 10 55 14 18 100 12 7 3 4 1 3 9 9 21 9 11 7 10 8 7 5 4 3 5 3 3 2 5 3 6 59 11 4 1 3 6 3 1 4 3 2 1 3 3 3 2 5 25 1 3 4 3 1 1 3 2 2 3 7 12 5 5 6 4 1 2 4 3 6 4 4 3 1 2 5 4 1 3 3 2 3 9 8 3 13 7 7 7 5 6 15 23 5 6 6 13 3 4 18 16 2 4 3 24 41 14 34 53 87 32 11 8 13 17 5 3 3 4 3 8 2 3 3 0 2 6 3 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 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 2 3 3 1 2 3 3 3 4 4 3 2 3 5 4 0 5 7 13 32 34 21 8 7 6 4 4 3 3 3 2 2 3 3 3 2 3 3 3 11 3 6 5 26 16 26 4 3 4 4 1 2 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 1 3 2 0 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 3 2 1 1 2 2 1 2 3; 1HNMR: 80 79 dd 1H J 21 69 \| 79 79 d 1H J 22 \| 78 77 t 1H J 49 \| 77 77 dd 1H J 16 67 \| 75 75 td 1H J 16 71 \| 74 74 m 2H \| 74 73 td 1H J 18 70 \| 65 65 dt 1H J 9 49 \| 61 60 dt 1H J 8 50 \| 46 46 dd 2H J 8 49 \| 22 21 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cnn(-c2ccccc2)c(=O)c1-c1ccc(F)cc1	ir: 3 2 0 4 5 2 2 4 6 4 1 2 9 11 6 4 5 4 5 12 13 10 8 3 2 3 3 5 3 2 4 10 28 5 4 1 6 3 3 2 4 30 47 18 6 1 3 5 4 13 17 0 7 17 37 83 7 3 5 4 6 1 6 4 1 0 2 8 18 20 4 3 4 4 3 3 2 4 13 6 5 0 2 2 1 2 10 5 2 1 2 3 2 3 4 2 1 2 2 4 4 8 3 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 5 2 1 4 6 10 14 12 26 6 3 2 2 2 1 3 11 30 10 3 2 2 2 10 12 11 5 6 4 3 28 6 1 20 14 6 8 15 4 4 16 5 16 9 4 2 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 4 5 10 18 57 100 42 12 6 5 4 0 3 3 1 2 2 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 m 2H \| 76 75 m 2H \| 75 74 m 2H \| 74 74 s 1H \| 73 72 tt 1H J 15 77 \| 72 71 m 2H \| 38 38 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(N2[C@H](COCc3ccccc3)CCS2(=O)=O)cc1OC	ir: 14 15 4 8 3 13 14 23 16 8 26 8 4 10 9 9 5 4 3 5 6 7 12 3 2 3 3 4 2 2 8 4 4 2 2 5 7 4 4 21 89 11 6 5 4 20 3 1 2 8 13 3 6 7 10 13 6 5 4 9 6 24 7 10 4 5 12 15 16 17 16 8 7 9 5 10 5 4 3 1 4 5 9 11 6 4 46 16 100 30 6 9 10 7 2 2 9 10 9 32 16 15 6 4 4 4 2 3 1 2 6 9 14 5 5 4 4 5 7 6 7 3 3 3 5 7 4 5 3 4 1 2 2 2 5 8 3 1 2 2 3 3 16 28 7 46 8 13 3 0 1 7 4 5 96 2 4 4 2 1 1 1 2 0 48 10 2 3 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 13 9 3 3 2 2 3 2 3 18 13 3 38 69 41 35 8 3 2 2 2 1 2 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 77 d 1H J 84 \| 74 73 m 5H \| 69 68 dd 1H J 21 83 \| 68 67 d 1H J 21 \| 45 44 m 2H \| 43 42 dqd 1H J 18 64 83 \| 39 38 m 7H \| 36 36 dd 1H J 64 96 \| 35 34 dddd 1H J 17 61 79 134 \| 33 32 ddd 1H J 61 79 134 \| 23 22 ddt 1H J 64 80 130 \| 21 20 dtd 1H J 62 80 132	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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