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DeerEyeRain
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sel_dataset

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train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
c1ccc(CN2CCC(=NNc3nc(-c4cccnc4)cs3)CC2)cc1	ir: 6 1 2 1 1 3 1 4 3 3 3 3 2 2 2 3 4 6 25 42 15 10 25 8 11 6 8 8 10 3 4 10 2 4 4 12 20 3 22 47 2 9 8 7 3 4 3 3 1 2 1 1 1 2 1 16 3 3 2 3 3 3 13 5 5 2 2 1 8 5 2 1 1 2 1 2 7 7 7 4 11 2 3 7 12 3 1 1 2 12 1 2 11 5 2 2 10 8 10 8 14 11 4 2 3 4 11 6 2 2 1 1 3 2 1 3 3 1 3 4 5 7 4 9 28 11 6 5 7 12 4 6 6 5 2 21 3 2 1 2 11 4 4 34 7 13 67 15 4 3 2 4 4 25 10 3 2 1 1 1 1 1 1 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 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 2 3 4 2 3 3 1 2 2 2 3 10 8 26 37 38 9 3 3 3 2 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 5 12 100 39 5 3 4 2 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 97 97 s 1H \| 90 90 d 1H J 20 \| 87 86 dd 1H J 17 48 \| 82 81 dt 1H J 18 84 \| 75 74 dd 1H J 48 85 \| 73 72 m 5H \| 72 71 s 1H \| 36 36 d 2H J 7 \| 29 28 dd 4H J 39 47 \| 27 26 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)NC(=O)C1(C)C1C=CCCC1	ir: 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 9 1 1 1 1 2 3 3 2 1 4 10 12 22 2 3 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 3 3 1 3 4 4 4 5 5 5 2 2 2 1 1 1 1 2 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 11 1 1 1 1 1 4 2 1 1 2 3 100 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 50 5 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 99 99 s 1H \| 58 57 ddp 1H J 9 68 86 \| 57 56 dtdd 1H J 9 18 40 82 \| 29 29 s 2H \| 28 27 qt 1H J 14 65 \| 22 21 m 2H \| 19 18 ddtd 1H J 7 65 93 121 \| 18 16 m 1H \| 16 15 m 2H \| 13 12 d 3H J 14	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C=C/C(=O)Nc1cc(O)ccc1C	ir: 2 2 0 2 7 9 12 4 5 3 0 3 3 2 2 4 3 2 16 6 2 3 4 16 11 1 1 2 2 1 1 5 5 5 5 3 10 31 61 37 4 2 2 1 1 3 2 1 1 1 1 0 11 5 11 5 3 1 3 2 5 1 1 5 4 3 3 3 11 15 11 3 2 3 2 2 3 3 47 69 23 12 11 9 13 14 15 8 27 33 6 2 2 1 2 2 2 10 6 6 1 1 1 1 2 2 3 1 1 3 2 1 2 1 3 3 4 6 7 4 5 8 7 12 3 3 3 2 2 3 2 1 0 1 2 0 1 7 4 3 1 3 7 6 59 9 2 12 20 2 2 7 14 11 34 43 16 3 1 1 2 6 15 67 11 1 2 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 1 2 3 4 4 3 3 2 2 1 2 2 2 2 2 3 2 5 36 35 32 51 73 10 4 3 2 3 3 100 50 2 3 2 1 1 3 3 2 2 2 3 2 2 14 35 29 12 4 2 4 2 1 2 2 2 3 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 1H \| 71 70 m 2H \| 70 69 dq 1H J 57 141 \| 64 63 dd 1H J 22 84 \| 63 63 dq 1H J 15 139 \| 48 47 s 1H \| 24 23 d 3H J 10 \| 19 19 dd 3H J 16 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C	ir: 20 16 45 16 11 17 4 7 9 6 26 12 6 7 7 5 3 3 2 5 3 1 6 14 12 13 30 42 15 43 95 28 17 8 12 7 5 13 4 4 4 1 2 3 3 2 2 2 3 1 4 8 7 3 3 4 5 6 1 1 2 11 7 19 3 2 11 74 28 37 8 9 6 3 2 1 3 3 2 1 3 1 2 1 1 1 0 0 1 1 0 1 5 9 17 19 16 5 11 17 5 3 2 2 3 3 2 7 11 26 15 11 9 19 14 16 10 22 15 41 60 24 23 54 6 7 7 6 7 6 11 24 3 3 5 2 1 3 7 13 33 45 63 100 22 23 50 11 13 82 13 5 25 2 1 1 1 1 1 1 1 5 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 5 3 5 3 2 5 2 6 6 14 10 4 4 31 8 8 65 6 4 4 2 1 1 2 2 2 2 2 3 4 2 1 2 1 2 2 2 6 13 27 43 94 60 8 4 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 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; 1HNMR: 72 71 dtt 1H J 9 43 123 \| 69 68 td 1H J 43 121 \| 57 56 d 1H J 82 \| 45 44 q 1H J 80 \| 37 37 s 3H \| 34 33 dddd 1H J 8 35 81 150 \| 31 30 dddd 1H J 8 35 79 148 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C2CCCCC2)nc(O)c1C	ir: 2 2 2 3 2 4 6 3 2 2 2 2 2 2 4 3 6 9 9 3 3 2 2 2 2 2 2 1 1 2 2 1 2 2 2 2 2 3 7 9 3 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 2 2 2 3 4 5 5 3 2 3 3 4 4 3 5 6 7 5 3 2 2 2 2 1 2 2 2 2 2 1 1 1 2 2 1 1 2 1 1 2 2 2 2 2 2 2 1 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 2 3 2 2 1 2 3 2 1 2 2 1 1 2 6 1 1 4 3 42 100 2 0 4 2 0 1 3 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 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 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3 5 2 2 2 1 1 2 2 1 1 2 3 1 31 23 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 31 30 p 1H J 56 \| 25 24 s 3H \| 21 20 m 2H \| 20 20 s 3H \| 18 16 m 5H \| 16 14 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(OCC(=O)O)c(Br)n1	ir: 1 2 4 2 8 10 7 4 5 6 6 2 8 10 6 5 12 6 3 11 13 37 100 27 13 20 7 3 4 2 2 1 1 1 5 3 2 2 9 13 2 1 2 3 2 6 3 2 1 1 1 2 3 17 11 13 7 3 2 0 4 2 8 2 3 5 6 1 1 1 1 1 1 1 0 3 4 4 5 41 4 7 2 14 4 1 1 2 5 2 1 1 2 4 1 5 4 6 4 3 2 2 1 2 3 5 1 1 1 0 0 1 1 1 5 1 3 2 2 3 33 17 7 5 3 5 3 12 9 8 3 14 4 5 3 2 1 15 11 8 3 7 10 55 14 4 4 3 2 1 4 10 19 2 2 1 1 1 19 10 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 1 0 0 0 0 0 0 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 2 1 1 2 1 4 4 1 0 1 1 3 5 9 25 6 16 12 16 9 3 1 1 1 1 1 12 12 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 d 1H J 73 \| 70 69 d 1H J 73 \| 47 46 s 2H \| 14 13 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cn1cnc(C2=NC(c3ccc(F)cc3Br)C(C(=O)OCC)=C(CBr)N2)n1	ir: 5 7 4 11 7 6 4 3 2 5 5 3 3 7 6 8 28 9 4 8 2 3 3 6 3 5 3 3 3 2 2 2 2 3 3 5 9 4 21 5 6 5 3 3 3 3 6 6 6 8 7 14 9 57 16 3 3 5 3 4 7 34 8 16 4 3 21 19 10 6 4 4 10 8 11 11 5 9 9 13 8 6 4 5 4 2 3 3 8 9 13 7 10 3 3 3 4 11 7 3 3 5 10 4 5 4 5 6 6 18 10 9 11 27 46 10 32 17 11 18 10 12 12 8 9 6 4 6 2 3 4 5 8 6 5 3 2 5 16 3 10 14 5 8 3 4 3 4 6 5 2 4 8 4 2 1 2 67 2 2 3 3 2 2 2 5 43 8 2 0 2 4 23 0 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 3 2 2 4 2 2 3 6 8 6 7 5 6 10 14 18 9 7 16 13 12 33 24 17 12 62 41 20 9 4 3 3 3 3 2 3 2 2 2 3 3 2 4 5 17 100 5 4 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 97 97 s 1H \| 87 87 t 1H J 9 \| 76 75 ddd 1H J 7 46 77 \| 75 74 dd 1H J 22 121 \| 71 71 ddd 1H J 22 79 101 \| 58 58 q 1H J 9 \| 51 50 d 2H J 7 \| 43 42 m 4H \| 42 41 q 2H J 70 \| 13 12 t 3H J 66 \| 12 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CCO)CCCCCCOc1ccc2c(ccn2-c2ccccc2)c1	ir: 2 2 6 2 3 3 4 3 2 6 9 3 8 5 9 4 2 3 2 2 2 2 3 2 1 1 1 1 1 4 13 11 4 5 4 3 6 3 7 8 6 3 4 7 3 2 1 1 1 1 1 0 5 10 9 4 5 2 2 1 1 1 1 1 2 1 6 4 5 6 5 2 3 3 1 3 3 3 3 3 2 4 10 18 9 4 2 3 9 9 3 7 6 1 3 7 2 1 2 2 2 1 3 2 3 1 1 1 4 3 3 2 1 2 2 2 1 1 1 3 1 3 3 3 1 1 1 1 1 1 1 1 1 4 4 3 1 2 2 16 3 9 3 2 1 2 6 2 2 2 1 4 10 6 5 3 1 1 1 1 1 2 1 12 1 1 1 1 0 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 2 2 3 1 1 2 1 3 3 11 8 11 14 48 19 26 9 18 12 17 100 52 12 3 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 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 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 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 75 d 1H J 80 \| 75 75 d 1H J 49 \| 75 74 m 4H \| 74 73 m 1H \| 72 72 t 1H J 23 \| 69 68 m 2H \| 50 49 t 1H J 63 \| 40 40 t 2H J 63 \| 37 36 dt 2H J 53 64 \| 27 26 t 2H J 53 \| 26 25 q 2H J 70 \| 25 25 t 2H J 61 \| 18 17 tt 2H J 63 74 \| 15 13 m 6H \| 11 10 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]n(-c2ccc(S(=O)(=O)N(C)C)cn2)c(=O)c1Cc1cccnc1	ir: 7 8 6 25 11 15 34 18 18 10 15 26 52 24 11 17 23 10 7 4 3 6 13 4 4 5 9 7 6 10 17 9 23 25 48 26 38 22 23 37 22 10 10 4 6 12 11 7 7 6 4 3 5 11 32 68 14 9 6 7 24 17 10 17 17 31 15 0 16 16 21 8 6 6 3 3 6 9 11 4 8 8 4 9 87 21 9 8 65 28 36 39 10 6 6 9 11 47 21 9 6 8 7 6 4 5 7 7 36 7 6 8 33 6 5 7 25 12 9 11 6 36 54 24 26 23 15 8 6 5 5 7 7 5 26 5 7 6 11 37 28 5 7 22 6 4 5 6 10 23 8 8 29 27 6 11 40 4 12 23 57 17 5 3 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 4 4 4 4 3 4 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 5 5 4 4 4 5 4 5 5 5 4 5 5 5 7 19 14 19 37 29 28 8 3 5 7 4 3 4 5 4 3 4 5 4 4 5 6 4 4 4 5 5 9 19 25 34 100 14 9 6 5 6 5 5 4 5 4 3 4 4 4 3 4 4 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 5 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 88 88 d 1H J 19 \| 85 85 dq 1H J 10 20 \| 85 84 ddd 1H J 13 21 42 \| 81 80 d 1H J 90 \| 79 79 dd 1H J 19 89 \| 79 78 s 1H \| 76 75 dtt 1H J 8 20 78 \| 73 72 dd 1H J 42 77 \| 37 36 h 2H J 9 \| 28 28 s 5H \| 22 21 t 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CCO)CCCC[C@@H]1CC[C@@H](N(C)C(=O)Oc2ccc(Cl)cc2)CC1	ir: 10 13 6 7 3 9 18 9 44 23 67 26 24 22 34 32 14 10 6 3 12 5 5 1 3 1 1 1 2 2 1 2 2 1 1 2 2 3 2 3 2 3 4 1 1 4 3 3 5 7 7 3 5 12 18 64 29 5 2 4 2 8 3 6 4 1 3 2 2 4 2 5 5 1 3 3 2 9 4 4 43 12 3 7 4 12 29 59 22 29 7 16 11 7 6 9 16 5 8 4 5 6 9 13 5 10 19 2 3 4 7 7 3 9 5 8 11 5 15 7 6 7 8 6 15 9 9 5 3 6 3 2 4 8 3 4 3 1 4 2 3 0 0 5 16 32 65 19 13 10 18 100 14 7 3 3 1 1 1 1 2 7 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 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 3 5 4 8 9 3 5 3 9 5 14 25 43 83 54 32 5 6 7 7 10 69 86 5 5 2 1 1 1 1 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 m 2H \| 73 72 m 2H \| 50 49 t 1H J 63 \| 37 36 m 1H \| 37 36 dt 2H J 53 64 \| 29 28 d 3H J 14 \| 27 26 t 2H J 53 \| 26 25 q 2H J 70 \| 25 25 t 2H J 59 \| 18 17 m 2H \| 16 13 m 10H \| 13 13 m 1H \| 13 12 m 1H \| 13 12 m 1H \| 12 11 m 1H \| 11 10 t 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(-c2ccnc3nc(C(F)(F)F)ccc23)cc1-c1ccc2ncccc2c1	ir: 4 6 8 3 1 4 3 2 3 4 7 3 5 3 4 4 8 13 6 4 2 6 3 2 0 5 4 4 2 4 4 7 1 3 2 6 6 5 6 19 13 5 4 1 2 4 5 54 5 7 21 28 56 19 66 58 33 19 19 5 3 12 2 3 3 6 4 3 3 5 20 12 25 30 17 6 7 8 2 2 2 3 1 1 28 6 4 3 8 14 18 7 5 8 28 5 12 43 76 10 33 15 2 2 5 32 5 5 4 7 2 1 3 6 3 2 8 6 3 7 16 6 2 3 3 4 1 3 3 1 0 2 3 1 8 2 5 8 12 6 31 14 19 9 15 50 13 22 11 13 32 5 7 16 28 22 52 13 29 3 3 2 9 11 3 1 1 3 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 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 2 1 0 1 2 1 0 1 1 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 2 2 1 2 2 1 1 2 2 2 2 2 2 3 6 7 18 42 100 58 42 16 4 4 4 3 1 2 3 1 0 1 2 1 1 2 2 0 0 2 2 1 0 2 2 0 0 2 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 1 0 1 2 1 0 1 2; 1HNMR: 89 89 dd 1H J 17 41 \| 87 87 d 1H J 55 \| 84 84 dd 1H J 24 39 \| 82 82 dt 1H J 20 83 \| 82 81 q 1H J 21 \| 81 80 d 1H J 80 \| 80 80 d 1H J 112 \| 78 77 m 3H \| 76 75 m 2H \| 73 73 dd 1H J 81 102	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C=C(O)CC(CCc2cccc(O)c2)(CCc2cccc(O)c2)O1	ir: 2 2 2 2 2 2 3 2 2 2 3 2 3 3 2 3 3 3 2 3 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 4 2 2 2 2 2 2 2 2 3 3 4 9 5 3 3 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 4 3 3 3 2 2 3 3 2 4 8 3 6 6 10 19 6 13 4 5 5 3 3 3 3 6 3 2 3 2 2 2 3 2 2 2 2 2 2 2 3 3 3 2 2 2 2 3 5 3 2 3 2 2 3 3 3 3 2 2 2 3 3 2 2 2 2 2 2 2 2 3 3 9 6 3 3 2 2 2 2 2 2 2 2 2 5 3 3 4 2 3 3 1 7 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 2 2 2 2 2 2 3 2 2 2 2 3 2 2 2 2 2 2 3 2 2 2 5 3 2 2 3 2 1 3 5 3 5 6 17 6 2 3 4 2 0 9 100 9 6 2 1 3 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 2 2 2 2 2; 1HNMR: 72 71 dd 2H J 77 85 \| 69 68 dddd 4H J 10 21 84 129 \| 66 66 tt 2H J 9 20 \| 54 53 s 2H \| 52 52 t 1H J 9 \| 28 28 d 2H J 7 \| 28 27 dtt 2H J 9 78 137 \| 27 26 dtt 2H J 9 78 137 \| 22 21 m 2H \| 19 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC(CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1	ir: 2 1 4 2 1 2 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 3 3 2 4 3 1 1 2 5 3 9 8 25 9 14 9 5 10 3 2 2 1 1 1 3 3 3 1 1 2 2 3 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 2 3 1 2 1 2 2 2 5 3 1 1 2 2 3 2 5 9 3 3 2 1 2 1 2 2 3 1 1 1 1 3 3 3 2 2 3 6 3 2 3 3 4 4 4 3 3 2 3 2 3 1 3 3 2 4 3 2 5 34 4 4 1 1 2 3 24 4 7 10 100 13 7 5 4 7 2 1 5 1 1 1 0 1 1 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 2 1 2 1 3 3 5 5 13 5 12 7 8 2 3 1 2 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 2 2 2 16 12 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 q 2H J 85 \| 74 74 d 1H J 92 \| 43 42 dp 1H J 70 93 \| 42 42 q 2H J 66 \| 42 41 d 2H J 55 \| 30 29 pd 1H J 7 63 \| 27 26 dd 1H J 66 169 \| 25 24 dd 1H J 66 168 \| 17 16 m 1H \| 16 15 dt 1H J 74 139 \| 15 14 m 1H \| 14 13 dt 1H J 73 137 \| 13 12 t 3H J 66 \| 10 9 d 3H J 67 \| 9 8 m 5H \| 7 7 m 2H \| 6 5 m 2H \| 5 4 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(CN2CCC(C(C)(C)C)CC2)nc2c(N3CCOCC3)nc(Cl)nc21	ir: 1 1 1 1 0 1 1 2 2 3 2 1 1 3 2 3 3 2 1 1 2 3 1 2 2 3 6 4 16 5 6 3 1 1 1 0 0 1 1 0 1 2 3 2 1 2 1 0 1 4 4 2 3 1 3 6 5 7 4 6 3 8 12 7 2 6 4 0 2 2 2 2 9 9 3 1 1 3 2 1 3 5 8 2 2 4 5 2 1 4 1 1 7 3 6 5 8 7 6 4 2 4 2 3 2 3 1 3 4 5 6 12 15 17 22 12 2 5 15 13 6 18 16 19 31 15 4 2 13 6 19 6 24 6 2 2 1 4 2 1 1 1 1 1 1 1 1 2 1 0 1 1 0 0 0 0 0 1 0 1 8 3 1 1 3 15 2 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 1 1 0 1 0 1 1 0 0 0 0 0 1 0 1 0 1 0 0 1 0 0 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 2 2 1 3 6 8 14 14 21 19 5 5 7 6 8 9 27 100 51 20 13 16 10 8 4 2 2 1 0 1 1 0 0 0 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; 1HNMR: 42 41 s 2H \| 39 39 s 2H \| 39 38 m 4H \| 37 36 m 4H \| 28 27 m 4H \| 18 17 m 2H \| 15 14 m 2H \| 13 12 m 1H \| 9 9 d 9H J 16	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N)CCOCc1ccccc1	ir: 0 0 0 0 1 1 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 5 10 1 1 1 1 1 1 2 85 3 0 1 1 1 0 0 1 1 2 1 4 4 1 5 63 9 6 1 0 1 4 3 1 4 41 13 7 3 1 1 1 5 2 1 2 3 1 4 4 2 1 3 12 1 1 1 0 5 5 1 0 1 2 1 0 1 1 1 0 0 0 0 0 0 1 1 1 0 0 1 0 1 1 1 2 1 1 0 2 2 3 1 2 1 3 2 4 2 2 4 17 9 8 8 14 38 5 0 1 1 1 6 12 2 1 1 2 1 0 0 3 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 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 1 0 0 1 1 1 1 1 0 0 1 2 1 2 11 5 3 6 10 5 1 0 0 1 0 0 1 0 1 1 2 11 16 5 2 1 4 5 3 58 100 3 6 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 74 73 m 5H \| 44 44 d 2H J 9 \| 36 35 dt 1H J 57 115 \| 35 34 dt 1H J 57 115 \| 30 29 m 1H J 53 \| 18 17 d 2H J 59 \| 17 16 dq 1H J 56 146 \| 15 14 dq 1H J 57 146 \| 11 11 d 3H J 53	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(C(F)(F)F)ccc1Br	ir: 20 12 43 7 1 2 4 5 2 3 3 1 2 1 2 1 2 1 1 1 1 2 4 12 3 2 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 7 5 1 1 1 1 1 1 1 1 1 1 1 3 6 2 1 1 1 1 1 1 1 1 5 0 1 1 1 1 1 2 1 1 2 2 2 1 1 1 0 1 16 42 8 6 5 0 2 1 0 1 1 1 1 1 1 3 10 5 2 1 1 1 14 2 0 1 1 1 0 1 4 2 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 9 7 1 1 4 11 1 3 25 100 10 2 1 2 11 5 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 7 20 18 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 13 23 1 1 1 1 1 1 1 2 1 3 56 61 10 5 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 75 d 1H J 73 \| 73 72 m 1H \| 70 70 dq 1H J 9 19 \| 42 42 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C(#Cc1ccc(OC2CCCCC2)nc1)c1ccccc1	ir: 1 1 4 3 1 2 2 1 1 1 1 1 1 1 2 1 0 1 1 0 0 0 0 1 0 1 3 1 5 1 6 5 5 18 19 16 8 19 79 19 100 7 1 0 2 9 4 11 3 9 4 0 6 14 16 0 2 2 2 1 1 1 1 1 1 1 0 1 2 15 6 1 1 1 1 3 4 11 3 5 6 1 0 1 1 2 0 0 2 4 3 1 1 1 2 0 1 1 0 0 1 0 0 0 1 1 0 4 7 2 5 16 10 6 3 3 2 2 1 1 3 2 9 26 9 2 1 1 1 1 1 1 3 3 3 3 17 27 22 1 1 12 17 4 1 1 2 6 9 22 7 6 5 5 3 1 5 9 1 2 3 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 2 1 2 1 1 2 2 1 4 8 4 7 36 51 37 18 5 4 3 3 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 20 \| 78 77 dd 1H J 19 80 \| 76 76 m 2H \| 74 73 m 3H \| 69 68 d 1H J 80 \| 47 46 m 1H \| 20 19 m 2H \| 18 16 m 4H \| 16 15 m 2H \| 15 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cc2c(n1)CCN(CCCCOc1ccc3c(c1)NC(=O)CC3)C2	ir: 5 2 2 2 6 4 4 9 6 3 8 12 5 5 5 10 9 16 7 3 1 5 8 5 4 5 3 2 11 21 46 19 11 23 48 45 14 3 3 3 12 8 3 7 9 3 3 3 3 4 15 5 7 23 38 5 2 4 6 4 4 4 3 4 23 17 23 23 15 7 18 5 5 1 1 1 1 1 3 11 10 7 9 7 22 9 5 2 4 2 2 5 14 5 7 20 19 8 11 9 13 14 8 3 3 3 5 2 8 4 9 6 4 4 12 24 19 16 7 12 17 5 6 9 8 6 2 5 8 2 2 6 20 10 5 4 4 6 44 6 3 1 4 35 21 10 5 1 3 11 87 13 8 14 74 61 35 8 2 2 1 2 3 100 7 2 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 2 1 1 4 6 7 10 3 4 5 1 3 5 18 44 19 20 23 8 3 14 12 14 2 1 2 1 1 1 1 1 1 1 2 2 3 3 4 19 9 13 48 37 42 15 12 5 3 1 2 2 1 0 1 1 1 1 1 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 1 0 0 0 1; 1HNMR: 91 90 s 1H \| 71 71 p 1H J 9 \| 71 70 dt 1H J 9 89 \| 66 65 dd 1H J 21 89 \| 65 64 d 1H J 22 \| 40 39 t 2H J 60 \| 39 38 qd 2H J 9 51 \| 38 38 d 2H J 10 \| 30 30 m 2H \| 28 28 m 2H \| 27 27 m 2H \| 26 26 t 2H J 59 \| 25 24 m 2H \| 18 17 m 2H \| 17 16 ttd 2H J 9 59 79 \| 15 14 t 3H J 50	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)Cc2cc(C(F)(F)F)ccc2NC1c1cccc(N)c1	ir: 25 34 26 28 43 14 5 15 14 13 7 5 4 4 6 4 1 2 2 2 2 3 3 6 5 3 9 4 4 3 4 4 8 3 5 2 3 10 9 2 5 3 2 2 2 5 18 12 15 6 3 4 4 21 36 1 5 3 1 1 3 2 1 2 5 6 7 3 7 4 7 7 2 1 3 4 1 3 4 1 5 6 8 6 2 1 1 3 3 10 6 31 6 3 1 1 3 4 100 26 3 7 2 1 4 2 3 13 4 2 10 2 4 16 3 2 2 1 1 2 4 1 1 2 15 10 6 4 3 5 0 3 8 4 2 3 2 1 5 28 2 10 6 3 3 13 2 2 2 0 2 15 42 59 13 6 6 15 8 4 2 4 14 11 3 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 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 3 5 6 3 12 96 34 12 2 0 3 3 2 2 2 2 1 0 1 1 1 1 6 7 20 5 3 5 5 35 59 34 11 3 8 52 44 4 5 2 2 1 2 1 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 2 2 1 1 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 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 m 2H \| 73 72 t 1H J 76 \| 71 70 ddt 1H J 9 19 75 \| 68 67 dt 1H J 10 75 \| 67 67 td 1H J 7 22 \| 67 66 ddd 1H J 13 22 77 \| 44 43 ddtd 1H J 9 16 32 79 \| 42 41 d 1H J 77 \| 35 34 s 2H \| 29 28 dd 1H J 7 146 \| 27 27 dd 1H J 8 147 \| 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.
Cc1cn(-c2ccccc2F)c2cc(F)ccc2c1=O	ir: 9 3 4 3 2 4 13 3 2 3 5 3 2 3 5 3 2 4 8 3 3 3 4 2 3 3 3 2 3 7 5 3 3 3 3 3 3 4 3 5 33 6 7 10 100 26 6 3 3 5 3 1 5 5 3 35 6 4 4 2 4 26 6 3 5 15 18 18 7 8 14 6 5 4 4 11 3 4 4 2 3 3 5 6 6 12 4 3 5 5 26 4 3 4 3 3 3 3 3 5 3 4 3 2 4 16 1 5 19 5 3 3 5 32 5 4 5 3 3 8 4 4 8 18 9 4 2 3 3 6 28 3 6 4 5 5 4 7 3 5 22 3 3 3 4 3 4 16 68 4 8 44 5 6 15 7 5 0 8 4 4 5 94 10 5 3 3 4 3 1 3 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 4 3 3 3 4 4 6 7 10 25 94 55 26 41 7 5 6 3 3 4 5 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3; 1HNMR: 84 83 q 1H J 15 \| 81 81 dd 1H J 50 88 \| 74 73 ddd 1H J 15 35 84 \| 73 73 td 1H J 14 84 \| 72 71 m 2H \| 71 70 ddd 1H J 14 81 101 \| 70 69 dd 1H J 22 121 \| 21 21 d 3H J 16	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1Sc1ccc(/C=C/C(=O)NC2CC2)cc1C(F)(F)F	ir: 2 3 4 11 2 6 4 3 2 5 3 2 1 3 3 2 1 4 4 2 3 2 4 8 54 5 4 2 2 3 3 1 2 4 6 16 16 5 16 42 4 10 30 6 1 4 3 0 2 5 4 0 2 9 59 8 3 4 2 2 3 4 2 0 2 6 8 1 5 6 7 3 4 11 2 3 4 4 2 2 11 38 7 2 5 17 2 2 6 5 8 2 4 4 2 4 10 20 7 32 6 4 2 25 4 4 7 3 7 3 1 2 4 2 0 2 5 3 0 3 10 4 1 4 16 3 0 3 4 2 1 4 9 9 8 7 34 7 29 22 31 8 4 5 4 4 9 100 14 26 8 7 8 2 3 6 3 1 1 10 3 1 6 4 2 1 2 5 2 1 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 3 1 2 3 3 1 2 5 4 2 4 7 7 13 11 9 42 52 42 7 9 4 6 4 2 2 3 4 2 1 2 4 2 2 3 3 2 3 9 9 93 29 11 3 5 3 4 3 1 1 3 3 1 1 2 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 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3; 1HNMR: 79 79 d 1H J 21 \| 77 76 m 1H \| 76 75 m 2H \| 74 73 td 1H J 24 71 \| 73 72 m 3H \| 71 70 d 1H J 75 \| 65 64 d 1H J 165 \| 28 27 dp 1H J 45 75 \| 24 23 d 3H J 7 \| 7 6 m 2H \| 4 3 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2sc3cccc(C(=O)O)c3c(=O)c2c1	ir: 4 6 4 5 6 4 4 8 6 6 3 5 7 6 5 6 7 10 18 19 7 32 50 7 6 7 5 5 4 5 5 7 4 4 4 11 3 5 5 8 4 4 4 3 5 5 5 8 30 0 4 6 12 23 4 4 4 3 4 4 3 3 4 4 4 4 5 4 5 4 4 6 7 5 5 4 4 10 29 8 7 5 5 4 5 8 11 6 5 5 7 7 4 4 4 6 14 5 4 4 3 4 4 6 3 4 5 4 4 4 4 4 3 4 5 7 10 6 5 10 7 5 4 5 4 5 6 4 5 5 11 4 4 4 4 4 8 6 9 8 5 5 4 16 11 9 6 7 4 5 4 11 15 4 4 7 7 5 4 5 4 4 4 3 3 4 4 3 3 4 3 3 4 4 4 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 4 4 4 4 4 4 4 4 3 3 4 4 4 3 4 4 3 3 3 3 3 3 4 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 3 3 3 4 4 3 4 4 4 4 4 4 4 4 5 5 5 5 8 14 51 15 7 4 5 5 6 4 3 69 100 12 7 4 2 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 78 78 dd 1H J 11 81 \| 78 78 dd 1H J 12 72 \| 77 77 m 2H \| 76 75 dd 1H J 71 81 \| 74 73 ddd 1H J 11 23 78 \| 24 24 d 3H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(F)cc4)c3)CC2)c1C	ir: 3 3 2 5 2 1 1 2 7 4 2 4 2 1 1 1 1 6 3 8 2 1 3 12 4 1 1 1 3 4 3 2 1 3 2 3 2 1 1 1 4 2 2 1 3 6 7 32 42 6 6 4 3 2 7 42 6 4 7 6 7 1 2 3 2 2 3 4 6 4 8 4 2 2 2 3 2 3 4 2 2 3 2 2 2 5 12 5 2 1 2 4 4 3 2 2 1 1 1 6 6 5 7 7 1 1 1 3 4 8 7 2 5 5 2 2 2 4 3 2 2 3 5 2 6 8 4 2 3 3 3 3 4 4 14 13 0 2 3 9 16 6 2 2 2 26 28 42 2 2 5 17 100 6 0 11 16 63 23 2 2 3 6 14 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 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 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 5 2 4 3 4 2 3 3 10 9 21 27 68 28 3 7 5 3 0 1 2 1 1 1 1 1 1 1 1 1 1 2 2 3 5 12 27 26 8 10 7 3 1 2 2 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 84 s 1H \| 74 73 t 1H J 77 \| 73 72 tt 2H J 16 88 \| 71 71 m 1H \| 71 70 m 2H \| 70 70 dt 1H J 26 75 \| 69 68 dd 1H J 18 26 \| 62 62 dd 1H J 9 15 \| 36 35 t 4H J 50 \| 26 25 m 4H \| 22 22 s 2H \| 20 20 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(C(=O)OC(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)s1	ir: 2 5 5 6 6 3 2 6 10 8 4 6 8 29 4 3 10 9 5 11 35 35 77 51 7 6 4 18 7 5 4 2 2 3 2 2 7 3 3 4 3 4 4 1 2 2 4 9 2 2 2 1 3 7 24 20 5 3 5 5 11 3 5 4 17 40 12 31 32 89 4 4 23 2 1 5 3 10 71 40 16 22 4 3 2 3 30 7 8 2 5 3 2 2 2 3 9 3 2 9 8 3 1 2 3 2 0 2 5 42 10 2 0 2 4 3 1 3 5 11 7 19 18 57 3 5 2 5 16 10 15 7 1 2 2 1 2 2 2 2 2 8 34 5 3 46 17 4 3 3 14 6 4 2 4 3 4 3 2 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2 2 2 2 3 2 4 5 21 100 21 12 51 10 3 5 2 3 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 d 1H J 71 \| 78 78 d 1H J 71 \| 70 70 m 4H \| 68 68 d 2H J 82 \| 67 67 d 1H J 10 \| 59 59 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1c2cccc(-c3cccnc3F)c2CCN1C(=O)c1cc2ncc(Br)cn2n1	ir: 5 2 2 2 6 1 5 5 4 2 1 2 4 2 5 2 5 3 4 19 9 25 1 10 4 2 1 8 9 1 4 2 4 1 4 11 14 63 6 5 2 5 14 5 3 4 4 15 23 4 5 1 2 0 5 0 1 1 1 1 2 4 4 16 6 6 2 2 3 3 1 2 2 1 3 6 3 2 2 2 5 11 1 0 1 5 6 6 2 5 7 1 3 6 3 2 2 5 1 1 3 100 4 2 1 3 1 2 1 1 10 2 1 3 3 5 4 2 2 5 4 11 9 9 6 6 7 43 40 19 3 3 2 1 2 3 20 5 4 3 3 4 6 32 23 3 2 2 2 1 2 9 23 6 32 10 1 13 2 7 4 4 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 4 2 2 2 3 9 3 10 30 43 45 10 18 3 0 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 99 98 d 1H J 13 \| 88 88 d 1H J 13 \| 84 83 ddd 1H J 22 39 57 \| 79 78 m 2H \| 75 75 dd 1H J 52 87 \| 75 74 m 1H \| 73 72 dt 1H J 10 85 \| 70 69 s 1H \| 50 49 m 1H \| 40 39 m 2H \| 33 32 ddd 1H J 42 60 154 \| 32 31 ddd 1H J 42 60 154 \| 14 14 d 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCc3ccc(Cl)cc3)c2cc1N	ir: 11 16 0 16 11 6 3 6 10 4 1 10 14 10 3 5 8 3 1 4 6 2 1 5 6 4 3 12 8 2 11 6 6 2 2 5 6 8 3 6 5 2 5 11 6 2 3 7 6 1 6 10 7 8 13 54 24 6 4 8 3 1 4 7 6 0 21 6 10 6 6 8 4 1 4 6 2 1 6 9 7 4 5 6 3 1 5 4 1 1 4 4 1 10 8 4 1 2 5 6 0 11 8 6 8 3 5 4 1 3 8 5 5 6 8 4 0 9 8 3 1 4 9 8 2 5 7 3 0 4 6 2 1 4 5 2 3 4 5 1 2 5 5 2 2 8 19 15 7 6 9 3 21 37 17 9 14 55 15 9 2 10 16 100 4 5 13 2 3 5 3 1 3 5 2 0 3 5 2 0 3 5 2 1 3 5 2 1 3 4 2 1 4 4 2 1 4 4 1 1 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 5 3 0 2 5 3 0 2 5 3 0 3 5 3 0 3 5 2 0 3 5 2 0 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 4 1 2 5 4 1 2 5 4 1 3 7 4 3 3 5 3 1 4 7 8 9 17 24 13 4 7 6 3 1 4 4 2 1 3 4 2 2 4 4 3 18 50 6 4 5 9 32 13 8 19 7 4 42 34 7 2 2 5 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 3 5 3 1 3 5 2 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 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 2 4 3 1; 1HNMR: 94 94 s 1H \| 78 78 s 1H \| 73 72 m 3H \| 71 71 dt 2H J 9 81 \| 49 49 s 2H \| 43 42 t 2H J 58 \| 27 27 tt 2H J 9 82 \| 23 23 s 3H \| 20 20 tt 2H J 58 82	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](O)CN1C(=O)Cn1cncn1	ir: 5 7 4 7 6 6 2 11 26 10 29 10 11 10 4 9 8 7 4 3 4 2 5 6 12 8 7 4 7 11 6 24 56 15 7 5 4 2 2 3 5 4 6 15 19 17 9 5 9 3 3 5 9 15 21 35 42 38 8 10 3 2 6 21 30 14 13 9 4 22 5 10 5 29 3 3 2 2 1 1 0 3 2 5 19 23 37 22 13 11 16 4 5 11 11 5 3 4 7 22 47 21 31 36 22 20 8 10 10 13 3 24 4 3 3 2 15 6 8 7 10 16 12 12 17 17 16 11 6 6 6 10 6 2 6 6 3 1 3 5 5 2 3 2 25 12 27 52 17 32 90 36 38 6 3 3 2 1 1 1 1 1 5 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 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 1 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 1 0 1 1 1 1 0 1 1 0 0 0 1 0 1 1 1 0 1 3 1 2 3 6 6 4 7 6 8 9 15 11 6 18 40 35 42 100 70 51 60 13 8 9 9 9 3 3 1 1 1 1 1 0 1 1 1 2 3 12 23 35 13 4 6 4 2 2 3 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H \| 83 83 dt 1H J 9 17 \| 79 79 d 1H J 16 \| 76 75 m 2H \| 73 72 tt 2H J 15 88 \| 71 70 m 2H \| 70 69 m 2H \| 48 47 m 2H \| 46 46 dddd 1H J 7 18 53 73 \| 45 44 m 1H \| 37 37 dd 1H J 25 118 \| 35 35 d 1H J 55 \| 35 34 ddd 1H J 18 43 121 \| 24 23 dt 1H J 58 140 \| 22 21 ddd 1H J 44 73 140	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1	ir: 2 1 1 3 2 1 4 3 3 3 2 3 4 2 4 3 3 2 3 9 8 13 100 29 3 7 9 2 1 6 12 6 4 5 2 2 4 3 4 4 23 3 2 1 3 1 1 1 1 1 1 1 1 2 1 1 1 2 5 4 8 7 3 3 1 2 2 3 3 2 2 3 5 7 3 9 5 36 85 8 10 11 4 4 5 12 5 6 14 7 3 6 8 2 2 1 2 1 1 0 2 2 2 2 3 8 4 4 5 2 5 3 6 12 4 4 4 2 3 3 4 5 9 5 3 4 2 3 4 2 2 4 3 2 5 5 3 2 1 2 1 3 8 21 12 3 11 9 42 7 1 1 2 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 1 3 8 3 3 1 5 3 3 3 4 3 22 16 14 17 5 15 6 4 2 6 12 26 8 72 6 3 2 2 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 75 d 1H J 66 \| 73 72 m 3H \| 72 71 ddt 2H J 9 17 78 \| 69 68 dt 1H J 8 66 \| 58 56 m 2H \| 43 42 dddtd 1H J 10 22 43 63 82 \| 42 41 m 1H \| 37 36 dt 1H J 51 121 \| 34 33 dt 1H J 52 121 \| 28 28 d 1H J 55 \| 27 25 m 5H \| 24 22 dtdd 1H J 9 61 127 147 \| 20 19 m 2H \| 17 14 m 4H \| 13 12 m 1H \| 9 9 dd 3H J 15 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1	ir: 5 2 4 2 2 4 7 5 13 5 4 4 8 2 7 10 5 13 7 5 3 10 4 12 13 93 23 7 3 4 3 5 7 21 22 7 1 8 5 3 10 13 16 14 8 20 6 1 3 3 2 1 2 2 2 2 2 4 2 1 3 2 3 3 4 3 3 3 5 16 3 2 2 2 3 4 6 6 3 3 7 5 2 2 2 2 3 2 6 11 15 4 2 2 2 4 4 3 1 2 2 7 1 2 3 3 4 13 11 3 4 8 25 8 6 2 7 4 2 5 7 3 6 6 8 5 5 5 7 6 4 3 2 2 3 42 5 43 8 4 16 100 60 36 25 3 2 3 2 1 2 1 28 3 2 5 3 2 7 3 2 4 4 5 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 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 1 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 2 1 1 2 1 1 1 2 2 1 2 2 2 7 4 10 7 58 57 19 14 6 6 7 3 1 3 3 3 1 2 2 1 1 2 2 3 4 4 8 8 18 35 23 20 5 5 3 2 1 2 2 1 1 2 1 1 2 2 2 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 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 0 1 1 1 0 1 1; 1HNMR: 98 98 d 1H J 73 \| 82 82 d 1H J 72 \| 82 82 m 2H \| 80 80 t 1H J 17 \| 75 74 m 3H \| 74 73 m 3H \| 73 73 ddd 1H J 13 72 81 \| 73 72 ddd 1H J 11 72 83 \| 70 70 tt 1H J 9 16 \| 66 65 d 1H J 91 \| 62 62 m 1H \| 28 27 qt 2H J 9 77 \| 14 13 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1cc(OC[C@H]2CCCN2C(=O)CO)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1	ir: 3 4 5 4 1 3 5 3 7 18 21 7 4 5 4 6 6 7 6 4 1 6 26 24 18 4 6 11 8 35 65 73 21 16 28 14 5 5 4 4 3 8 2 3 3 2 3 3 11 2 4 2 8 36 27 54 23 6 3 3 2 3 4 2 9 9 33 27 8 17 24 9 2 3 2 1 5 2 7 4 2 2 2 1 5 5 11 45 42 65 54 13 9 12 4 34 6 4 7 2 5 5 11 14 5 6 6 20 5 3 0 2 6 7 2 17 0 4 2 5 3 2 2 9 6 3 10 2 3 3 2 8 24 8 9 11 3 1 1 5 1 3 7 100 5 3 6 46 6 9 6 3 3 5 4 3 30 9 1 17 55 22 7 15 7 74 29 9 3 2 1 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 2 0 1 2 1 0 1 3 4 2 6 5 2 3 1 3 2 9 8 5 9 27 21 7 9 4 2 4 27 17 21 6 1 1 2 2 4 4 3 2 2 2 2 1 4 7 74 51 41 15 7 3 2 3 3 2 1 1 2 2 1 2 1 2 1 3 2 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 86 85 s 1H \| 85 85 s 1H \| 79 79 dd 1H J 22 32 \| 75 75 ddd 1H J 21 35 77 \| 72 71 dd 1H J 77 102 \| 70 70 d 1H J 22 \| 64 64 d 1H J 22 \| 43 43 m 1H \| 42 40 m 7H \| 37 36 t 2H J 50 \| 36 36 m 1H \| 35 34 m 1H \| 34 33 m 3H \| 20 20 dddd 1H J 30 53 67 121 \| 20 19 m 1H \| 19 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)O[C@](C)(C(=O)Nc1ccc(Sc2ccc(NC(N)=O)cc2)cc1Cl)C(F)(F)F	ir: 3 7 3 4 6 4 2 2 2 2 2 3 5 7 4 17 28 6 7 11 2 2 1 2 3 2 6 3 2 3 6 4 5 3 9 5 8 21 100 29 51 8 4 7 4 2 2 5 3 3 3 11 14 17 24 36 11 1 1 3 1 1 1 2 1 1 3 6 3 13 1 2 2 3 2 7 15 4 3 1 1 2 10 3 1 0 2 1 1 1 4 2 1 1 4 7 15 3 5 22 2 17 7 8 10 2 2 8 1 2 5 2 0 1 2 1 4 7 4 4 3 6 6 5 13 7 6 2 0 2 3 6 2 1 2 2 3 1 1 1 1 2 3 2 44 3 12 25 50 47 40 25 35 19 10 4 6 10 98 5 5 3 9 4 2 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 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 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 3 1 1 1 1 1 1 2 2 3 1 2 9 10 7 14 38 48 6 7 4 4 3 3 2 1 1 2 1 1 1 2 3 18 11 2 2 7 7 23 62 14 8 4 3 5 10 13 9 2 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 91 91 s 1H \| 84 84 s 1H \| 76 76 m 2H \| 75 75 d 1H J 79 \| 74 74 d 1H J 21 \| 73 73 m 2H \| 72 71 dd 1H J 22 79 \| 59 58 s 2H \| 21 21 s 3H \| 16 15 q 3H J 33	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cccc3c2CCC3=O)c(O)c1OCC1CC1	ir: 3 2 1 3 5 6 4 11 6 9 5 6 6 7 2 5 3 3 3 4 5 2 2 3 3 2 2 2 3 3 2 3 2 2 2 6 5 2 2 3 4 2 3 2 2 2 7 12 4 2 2 2 3 4 6 9 4 1 3 2 2 2 3 3 3 1 2 4 2 3 2 4 2 2 3 2 2 2 3 3 2 3 3 5 3 5 6 21 9 4 3 2 4 6 3 2 2 2 2 2 1 2 3 2 1 2 2 2 1 2 5 3 2 2 3 5 3 2 3 6 6 3 2 2 1 2 3 2 2 3 3 2 4 4 2 2 2 2 3 3 2 3 2 1 3 3 2 2 3 7 4 3 3 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 2 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 4 5 5 5 14 7 3 4 4 2 0 15 100 93 11 2 2 2 2 2 1 2 2 1 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 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 1 2 2 1 2 2 2 1; 1HNMR: 86 85 s 1H \| 78 78 dd 1H J 11 79 \| 76 75 dd 1H J 12 80 \| 74 74 t 1H J 80 \| 70 70 d 1H J 84 \| 67 67 d 1H J 84 \| 40 39 d 2H J 44 \| 39 38 s 2H \| 33 32 m 2H \| 28 28 t 2H J 65 \| 14 13 pt 1H J 45 63 \| 7 6 m 2H \| 5 4 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(C2=Nc3ccc(F)cc3Oc3sc4ccccc4c32)CC1	ir: 1 2 12 5 2 3 1 1 1 1 5 1 1 1 2 1 2 3 2 1 0 1 1 1 2 1 2 1 1 1 2 3 1 1 2 1 1 1 1 4 1 1 2 14 1 1 1 0 1 1 2 0 0 1 3 20 2 5 3 1 1 3 1 12 2 3 1 12 5 1 1 1 5 2 1 2 2 1 0 1 1 4 1 1 19 6 3 1 1 1 1 1 3 1 0 1 3 3 6 9 4 1 1 1 1 6 1 2 1 1 0 1 2 4 0 1 2 3 0 1 1 1 1 3 1 0 1 1 3 1 0 3 1 1 1 1 23 6 1 3 1 0 0 1 2 1 1 2 4 7 32 3 2 19 4 2 1 0 0 1 2 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 1 2 7 4 2 100 8 5 3 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 80 dd 1H J 15 75 \| 78 78 dd 1H J 16 65 \| 75 74 m 2H \| 73 72 dd 1H J 46 85 \| 70 69 ddd 1H J 21 84 104 \| 68 67 dd 1H J 21 121 \| 35 34 dd 4H J 35 53 \| 34 34 m 4H \| 25 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CN1CCCC1	ir: 1 1 2 1 2 3 3 9 13 15 5 20 9 20 15 9 24 10 40 52 92 89 75 97 24 20 4 9 3 2 2 0 1 1 1 1 1 1 1 1 3 2 1 1 4 10 7 6 8 8 3 4 2 5 3 3 4 0 0 0 1 5 4 3 4 3 4 3 1 3 2 2 3 4 9 42 19 25 53 38 100 39 52 10 18 21 18 16 4 8 3 6 1 2 5 2 4 2 5 4 8 4 3 8 4 11 1 3 5 6 4 4 1 1 2 1 2 8 3 1 4 4 2 2 2 3 1 2 1 1 1 1 1 1 1 1 1 1 1 0 2 12 14 4 11 4 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 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 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 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 3 2 5 1 1 1 1 9 2 3 1 4 1 1 0 0 0 0 1 1 18 33 41 32 39 18 7 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 92 s 1H \| 34 34 s 2H \| 29 28 m 4H \| 18 18 p 4H J 21	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC1CCNC1=O	ir: 0 3 5 4 1 6 8 3 2 6 11 15 7 13 21 8 4 6 5 3 2 4 4 4 8 9 14 8 10 18 8 2 2 6 4 1 2 7 4 2 4 5 3 1 2 5 4 1 3 6 4 1 3 5 3 1 3 6 4 0 4 5 3 1 5 6 3 2 4 6 3 2 4 4 2 1 5 5 2 2 4 4 2 2 4 4 1 2 4 4 1 2 4 4 1 3 5 5 2 3 5 3 1 3 5 7 3 7 6 6 8 4 6 4 2 6 10 6 2 8 7 5 2 6 7 4 2 7 6 7 14 9 5 3 2 4 4 2 2 4 4 2 2 4 4 2 3 5 5 3 10 100 89 53 41 20 5 4 4 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 4 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 5 4 3 3 5 5 3 4 5 7 4 4 6 4 2 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 3 2 9 52 44 15 36 12 12 10 6 5 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4; 1HNMR: 61 61 t 1H J 30 \| 34 33 dddd 1H J 22 31 40 134 \| 32 32 dddd 1H J 22 29 40 132 \| 24 23 tt 1H J 45 65 \| 20 20 dtd 1H J 22 42 132 \| 18 17 m 1H \| 17 16 m 2H \| 15 14 ddd 1H J 65 80 134 \| 10 9 d 3H J 68 \| 9 8 d 3H J 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CN(CC1CO1)CC1CO1	ir: 2 1 1 2 2 2 4 3 3 3 2 6 5 3 1 5 3 8 11 15 27 25 34 31 15 3 5 4 3 1 2 1 1 2 1 2 4 10 7 2 1 1 1 2 3 4 7 2 2 1 1 0 0 0 1 2 2 10 9 1 1 1 1 0 1 0 1 0 1 1 3 2 3 1 3 3 9 18 19 10 13 25 10 6 4 2 6 5 17 7 1 3 3 1 1 2 2 1 3 5 3 5 5 7 5 3 1 1 0 1 0 1 0 1 0 0 1 1 2 3 1 1 1 0 1 0 1 0 1 0 1 1 1 2 1 1 1 1 1 1 3 4 11 13 7 3 4 5 2 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 4 1 1 2 3 9 5 1 1 4 3 0 1 2 2 1 53 100 27 5 1 0 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; 1HNMR: 94 94 s 1H \| 35 35 s 1H \| 35 34 d 1H J 141 \| 31 30 m 4H \| 29 28 dd 2H J 38 116 \| 28 27 dd 2H J 29 75 \| 25 25 dd 2H J 30 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)cn2)ccc1N	ir: 1 3 4 7 3 10 13 5 4 8 12 6 8 8 5 2 1 3 2 1 1 2 3 1 0 2 3 3 0 2 2 2 3 3 7 12 13 16 10 5 3 1 1 2 3 2 1 3 3 3 1 1 4 44 52 24 3 2 2 2 1 1 2 3 5 18 4 2 5 10 7 1 1 1 3 5 4 4 2 1 2 2 2 8 4 24 9 1 3 3 2 1 1 3 6 2 2 2 6 9 2 2 4 4 4 11 13 3 1 1 0 1 1 1 2 2 2 2 1 4 3 5 11 8 2 2 1 1 2 1 1 1 1 1 1 2 2 14 4 2 2 0 1 2 1 0 0 3 12 11 11 6 10 10 13 27 100 13 6 8 2 3 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 0 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 2 1 1 1 1 1 1 1 1 1 1 1 3 11 7 5 10 19 29 7 2 3 2 2 1 0 1 1 0 1 1 1 1 1 2 4 13 2 1 1 1 1 1 1 1 2 2 15 38 24 3 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 88 87 d 1H J 19 \| 80 80 dd 1H J 19 89 \| 72 72 dd 1H J 23 85 \| 70 69 d 1H J 88 \| 69 68 d 1H J 85 \| 68 67 d 1H J 23 \| 47 47 p 1H J 56 \| 41 41 s 2H \| 32 32 s 2H \| 13 13 d 7H J 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1	ir: 4 2 3 10 1 6 3 1 1 2 5 1 1 1 2 4 2 3 2 1 2 1 1 1 2 0 18 4 3 4 4 7 2 14 4 2 1 2 10 9 16 7 11 10 8 3 1 1 1 0 2 10 10 4 2 2 1 0 4 1 2 0 1 9 1 5 7 11 6 9 11 17 3 23 21 20 7 2 2 3 2 1 0 1 1 3 11 4 100 9 5 2 1 1 1 1 2 3 8 6 4 5 16 8 5 1 1 2 22 2 2 5 6 3 4 3 2 2 1 1 2 2 4 1 1 1 2 1 2 1 1 1 0 0 2 23 0 1 2 1 2 2 3 7 8 14 18 8 13 1 1 1 5 3 3 1 2 13 5 1 3 0 0 0 0 0 0 0 3 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 1 1 0 0 1 3 2 1 1 12 14 4 10 29 82 14 2 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 2 4 6 41 9 6 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H \| 91 91 t 1H J 16 \| 86 86 dd 1H J 16 46 \| 81 80 t 1H J 22 \| 80 80 dd 1H J 18 88 \| 77 76 dd 1H J 21 45 \| 76 76 dd 1H J 22 88 \| 74 73 m 6H \| 46 45 dd 1H J 60 134 \| 43 43 dd 1H J 60 132 \| 41 40 tt 1H J 7 61 \| 31 30 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1N(CCc2cccc(F)c2)CCC12CCN(S(=O)(=O)c1ccccc1Cl)CC2	ir: 2 3 4 3 4 4 4 3 2 2 6 3 4 5 7 10 7 3 2 2 2 2 2 2 2 2 2 3 3 3 4 21 3 3 5 7 3 2 2 5 5 100 48 0 2 4 5 22 3 3 2 2 2 3 3 3 3 3 3 3 3 3 4 6 7 6 8 12 10 7 3 2 3 4 4 3 4 6 8 22 5 6 4 8 13 40 11 10 43 6 4 3 3 3 2 2 3 3 5 3 4 3 2 4 3 2 2 2 2 2 2 12 6 4 4 2 4 5 7 3 6 3 2 2 4 3 2 6 4 4 3 3 3 3 2 3 8 6 5 3 7 4 3 2 3 2 2 4 10 4 2 6 2 2 10 3 3 2 2 2 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 4 3 1 2 3 2 2 7 5 9 45 18 6 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 78 78 dd 1H J 17 83 \| 76 74 m 3H \| 73 73 td 1H J 50 78 \| 71 70 ddq 1H J 10 20 76 \| 70 69 m 2H \| 38 37 t 2H J 52 \| 35 34 ddd 2H J 44 70 132 \| 34 33 m 4H \| 29 28 tt 2H J 9 52 \| 23 22 ddd 2H J 44 71 118 \| 20 19 m 2H \| 18 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1cc(OC(c2ccccc2)c2ccccc2)c(=O)cc1CO	ir: 6 4 4 10 6 4 1 5 4 3 5 3 4 4 7 2 5 8 3 3 4 2 2 7 11 8 5 10 4 17 15 11 19 29 4 8 9 14 9 19 64 37 19 10 4 1 3 5 2 0 1 3 3 2 3 4 6 1 3 3 2 1 9 5 6 2 18 38 32 24 6 5 6 16 8 7 3 6 7 7 11 4 11 20 10 17 32 34 26 18 13 21 12 11 11 7 11 12 8 4 3 6 3 4 1 2 3 2 1 2 4 4 5 4 4 2 1 5 4 3 4 4 4 2 5 7 4 2 5 5 7 5 1 6 5 38 9 5 4 3 1 4 8 18 14 13 7 4 2 3 2 3 10 21 5 2 2 2 2 2 2 2 6 14 9 3 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 0 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 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 2 1 2 4 5 3 4 15 13 18 27 100 31 56 17 18 4 2 3 8 5 2 2 1 2 1 2 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 10H \| 67 67 d 1H J 16 \| 64 64 t 1H J 13 \| 55 55 s 1H \| 44 44 dd 2H J 13 57 \| 44 43 pd 1H J 18 73 \| 31 31 t 1H J 57 \| 13 13 d 6H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Br)c(C#N)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21	ir: 3 2 2 4 2 1 5 3 10 13 3 3 5 2 1 3 2 1 2 2 14 2 1 1 1 1 4 1 1 1 1 4 5 5 1 2 2 1 2 1 2 6 6 2 3 3 7 24 3 7 13 2 4 9 32 35 20 15 7 6 7 2 7 11 5 15 3 15 5 6 4 5 2 1 3 4 0 0 2 2 1 1 5 13 9 36 8 9 10 1 3 5 6 2 16 7 12 2 2 3 5 2 2 5 5 22 17 6 12 1 2 1 0 1 2 1 0 2 5 2 2 4 4 2 16 3 3 1 0 1 2 1 0 1 1 1 1 4 5 20 3 3 3 5 6 5 2 1 1 3 2 4 21 24 4 11 4 4 11 1 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 3 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 2 4 7 33 28 21 10 5 2 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 3 1 2 3 100 18 2 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 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 100 99 s 1H \| 89 89 s 1H \| 86 86 d 1H J 22 \| 81 80 dd 1H J 22 88 \| 80 80 s 1H \| 79 79 d 1H J 91 \| 78 77 d 1H J 89 \| 71 71 s 1H \| 68 67 d 1H J 92 \| 63 63 s 1H \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCNC(=N)N	ir: 5 6 9 14 23 24 17 15 8 19 10 22 14 13 30 15 5 11 5 9 3 5 5 8 7 4 5 6 4 3 5 2 3 4 5 12 3 3 6 6 7 10 7 5 4 4 2 3 2 2 2 3 3 5 11 2 5 5 7 6 5 8 3 5 8 6 10 8 4 3 4 3 3 5 8 4 5 3 7 5 6 2 3 2 2 2 3 2 2 2 2 3 4 3 6 6 5 10 8 8 4 2 4 2 2 2 4 6 11 7 7 10 19 20 11 17 17 5 4 4 6 3 3 8 3 4 2 4 3 4 3 4 6 3 2 2 3 5 4 2 2 3 7 16 27 16 7 3 4 4 8 11 3 3 14 2 2 17 4 0 3 9 56 38 5 11 7 5 25 31 44 24 15 6 5 9 3 0 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 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 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 1 1 1 1 2 2 1 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 4 5 5 3 11 14 10 11 7 13 13 6 5 5 4 11 9 10 37 100 25 15 13 13 10 3 2 15 24 69 24 14 6 6 4 5 2 2 2 2 3 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 1 2 1 2 2 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 s 2H \| 76 75 d 1H J 82 \| 68 68 s 1H \| 67 67 d 1H J 82 \| 63 63 s 2H \| 60 59 s 1H \| 54 54 t 1H J 34 \| 41 41 t 2H J 60 \| 39 38 s 3H \| 33 32 td 2H J 33 51 \| 18 18 m 2H \| 15 14 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CO/N=C(/C(=O)OC)c1ccccc1COc1ccc(C=C(Cl)Cl)cc1C	ir: 2 5 10 2 4 8 6 3 3 1 2 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 2 2 0 0 1 2 2 3 3 1 3 0 1 7 5 3 0 0 1 1 1 0 1 2 10 9 2 1 1 1 1 2 3 4 4 3 2 2 4 4 11 4 3 3 4 2 1 1 2 1 0 0 0 0 0 1 1 2 8 3 3 2 0 1 2 2 6 7 3 2 2 10 10 1 19 4 1 0 0 0 0 0 1 1 0 1 4 1 1 2 1 1 1 1 2 1 1 1 1 1 2 2 7 34 1 0 1 1 8 2 1 1 1 3 3 3 1 1 2 5 2 0 2 5 4 3 2 1 1 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 1 1 2 2 1 6 12 100 28 4 2 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 dd 1H J 16 73 \| 75 74 ddt 1H J 9 18 78 \| 74 74 td 1H J 18 73 \| 74 73 td 1H J 16 75 \| 73 72 m 2H \| 70 69 s 1H \| 69 68 d 1H J 88 \| 54 53 d 2H J 7 \| 40 39 s 3H \| 38 38 s 3H \| 22 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ncc2c(ccc(=O)n2Cc2ccccc2)c1O	ir: 1 1 1 1 1 1 2 4 8 3 2 1 1 1 1 3 3 6 2 1 1 3 1 1 1 1 1 1 2 2 7 6 6 13 17 2 24 1 1 6 4 1 2 5 4 1 2 6 2 3 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 5 1 1 2 1 1 2 2 1 3 1 1 1 2 1 1 1 1 1 1 3 2 3 1 5 1 1 1 4 3 1 5 7 6 5 2 2 1 5 1 1 1 1 1 3 11 16 6 3 4 1 2 2 1 2 1 1 2 1 1 1 1 1 0 1 2 1 1 2 1 3 1 1 5 6 1 1 4 20 3 2 1 1 1 1 1 4 2 1 1 1 1 2 15 1 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 1 1 1 0 0 1 1 1 2 3 6 5 11 6 5 25 100 7 2 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 83 82 s 1H \| 81 81 d 1H J 93 \| 73 72 m 6H \| 67 67 d 1H J 92 \| 55 54 t 2H J 8 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1(c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1	ir: 6 4 3 1 3 2 4 3 2 4 3 4 2 1 1 1 2 1 2 5 4 11 9 7 4 7 3 2 4 6 12 12 17 5 2 2 7 11 7 7 63 17 4 22 25 4 2 4 2 0 2 4 3 4 33 21 13 4 5 3 1 1 2 9 5 24 7 11 31 18 14 7 15 3 3 3 2 3 6 3 1 1 2 2 2 2 4 5 10 48 10 4 3 5 3 3 3 3 4 2 1 1 3 2 0 1 2 1 0 1 2 1 1 3 6 2 3 2 3 2 10 7 4 6 3 5 4 7 3 2 4 1 1 9 18 46 21 3 4 1 1 5 23 100 23 6 4 4 2 8 25 22 10 6 4 3 2 1 4 6 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 9 5 0 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 2 1 2 1 2 2 3 7 10 10 13 27 43 97 82 25 8 11 16 3 3 4 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 74 73 m 9H \| 73 73 m 2H \| 71 70 d 1H J 22 \| 70 69 dd 1H J 21 76 \| 69 68 d 1H J 76 \| 52 51 d 2H J 10 \| 51 51 t 2H J 8 \| 19 18 m 2H \| 16 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2nc3c(Cl)cnc(C(N)=O)c3s2)cn1	ir: 0 0 0 0 0 1 1 2 2 5 1 2 9 0 1 5 2 2 3 2 7 26 13 14 36 9 8 14 2 1 0 1 2 1 7 6 46 3 2 1 1 0 1 3 1 2 1 1 0 0 0 1 1 1 5 2 1 1 1 1 0 0 0 1 2 2 3 3 2 1 1 2 1 1 2 1 2 4 2 1 0 0 1 1 2 2 1 1 1 3 1 13 1 1 1 0 0 0 1 1 5 6 2 5 3 4 1 1 0 0 0 0 0 1 2 3 3 1 1 0 0 1 1 4 1 4 8 1 0 0 1 2 6 4 6 1 4 9 1 0 0 1 1 0 0 34 10 8 0 1 5 1 43 1 1 2 5 23 66 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 8 2 1 0 1 1 0 1 0 0 0 0 0 2 4 32 2 1 1 0 0 1 1 1 0 0 2 5 100 9 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 1H \| 82 82 s 1H \| 76 75 s 1H \| 69 69 s 2H \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CC=Cc1ccccc1	ir: 2 2 2 2 2 2 2 3 11 8 9 5 10 11 15 11 0 15 35 36 41 14 40 34 7 9 4 5 4 2 2 3 7 12 11 8 3 2 4 10 28 8 3 3 4 5 4 7 2 5 4 3 3 1 2 2 2 1 2 2 2 1 2 2 1 1 2 3 8 4 2 2 3 8 11 22 46 34 47 22 20 11 16 8 5 6 5 4 3 4 2 2 2 3 3 2 2 2 2 3 3 7 4 4 2 2 2 2 1 1 2 2 1 1 2 2 2 3 3 7 9 4 6 6 6 16 9 3 2 2 3 2 2 7 10 33 7 3 6 4 4 22 39 74 49 15 12 11 4 2 2 25 3 3 2 2 1 1 1 2 2 5 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 4 5 14 9 19 21 100 8 19 3 4 2 2 2 3 6 7 3 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 5H \| 73 72 m 1H \| 66 65 dq 1H J 11 153 \| 64 63 dt 1H J 71 154 \| 33 33 dd 2H J 13 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c[nH]c(C=C2C(=O)Nc3ccccc32)c1C	ir: 11 14 4 2 1 3 5 9 12 3 13 11 6 2 5 2 2 5 11 4 3 2 16 12 2 4 13 3 8 6 2 1 2 2 3 5 7 4 8 10 8 15 25 5 11 43 59 59 27 8 7 2 3 4 2 0 2 2 3 1 3 2 2 1 3 6 3 4 2 2 2 2 2 2 4 7 5 4 1 1 3 3 1 2 5 3 1 1 3 3 1 1 2 2 2 14 23 6 1 3 7 3 1 2 4 4 4 11 13 6 1 5 18 20 2 2 3 3 5 5 3 1 2 2 4 7 25 8 4 9 26 9 3 1 2 2 3 4 13 3 4 7 8 13 7 2 2 46 7 1 3 3 4 12 14 5 3 7 45 53 48 52 6 3 3 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 1 1 2 2 2 1 2 4 5 6 5 23 22 24 30 15 15 15 5 6 2 2 2 3 2 1 3 3 2 2 4 4 3 2 4 11 16 46 23 42 100 11 8 5 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 94 93 d 1H J 73 \| 79 78 dd 1H J 15 77 \| 74 74 s 1H \| 73 73 td 1H J 13 75 \| 72 71 m 3H \| 70 69 m 1H \| 23 23 s 3H \| 23 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CSc2nc(O)ns2)cc1	ir: 9 12 12 8 8 10 6 13 12 7 6 8 12 13 16 29 40 31 40 20 10 9 6 7 7 6 5 6 6 5 5 6 6 5 6 6 6 5 5 6 9 7 6 6 6 5 6 7 6 5 6 8 12 19 30 12 8 5 6 8 6 38 18 9 9 6 6 6 6 6 6 7 5 5 6 6 7 6 8 8 9 18 23 7 6 5 6 6 7 10 6 6 5 10 19 7 6 6 7 6 5 5 6 6 5 5 6 6 5 6 7 10 7 5 6 5 10 9 6 5 5 6 6 6 5 6 9 6 6 8 6 47 0 8 7 5 4 6 7 16 9 6 6 5 5 6 6 21 8 7 6 5 9 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 6 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 6 7 7 5 5 7 6 5 6 8 6 6 20 18 10 7 7 8 6 6 7 7 100 34 7 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5; 1HNMR: 82 82 s 1H \| 72 71 dt 2H J 9 79 \| 71 71 m 2H \| 44 44 t 2H J 8 \| 23 23 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)c1cccc2nc(-c3ccc(-c4ccccn4)cc3)oc12	ir: 13 7 4 30 3 8 4 2 3 1 3 3 4 1 1 2 2 11 11 8 2 15 4 2 1 2 1 3 1 1 2 3 1 4 4 2 2 2 36 64 7 7 2 1 0 2 2 0 36 4 3 5 2 11 29 7 43 3 1 1 1 2 1 3 1 1 9 2 2 2 7 6 2 1 2 16 4 3 2 3 5 7 4 1 1 1 1 1 6 1 0 1 1 1 1 2 9 2 2 1 2 4 2 2 1 1 0 1 1 1 0 1 1 4 13 1 2 3 8 5 16 4 1 1 1 2 9 22 6 2 2 2 2 1 1 26 60 53 49 2 3 2 2 3 3 19 5 11 8 15 9 5 3 2 5 7 4 14 2 5 1 1 0 0 1 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 5 9 12 14 100 46 6 3 3 2 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 m 1H \| 81 81 m 2H \| 80 80 dd 1H J 14 97 \| 79 78 m 2H \| 78 77 dd 1H J 15 91 \| 77 76 m 2H \| 76 75 m 1H \| 72 72 ddd 1H J 22 40 65 \| 39 38 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C[C@@H]1C=CC[C@@H]1O	ir: 3 2 3 4 2 3 3 4 7 13 6 8 6 7 2 6 2 7 8 11 22 37 19 29 29 18 8 8 4 3 3 2 3 3 2 2 2 1 1 1 1 0 1 1 1 0 3 3 1 0 1 2 1 1 1 1 1 0 0 1 1 1 3 3 1 1 1 1 1 1 1 2 1 0 3 8 4 5 12 13 9 4 3 3 3 4 4 4 7 5 6 5 6 8 2 3 2 1 1 1 3 2 2 2 1 1 0 1 1 1 3 3 1 1 1 1 0 1 2 3 2 4 3 3 2 2 2 3 1 1 2 1 0 1 1 1 3 5 4 2 1 2 6 15 9 4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 1 0 1 1 0 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 3 3 11 7 3 1 4 3 4 33 100 34 45 40 82 59 4 4 2 1 0 1 1 1 0 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 60 59 dddq 1H J 9 18 67 85 \| 57 57 m 1H \| 43 42 m 1H \| 34 34 d 1H J 59 \| 29 28 m 1H \| 27 26 ddd 1H J 9 81 156 \| 25 23 m 2H \| 23 22 dddt 1H J 9 52 62 152	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCN(N)C#N	ir: 10 2 2 4 9 10 4 5 5 2 2 3 6 3 2 3 7 4 2 4 4 4 1 4 6 2 6 6 4 3 3 3 3 2 2 5 5 14 13 16 21 12 14 23 18 35 12 22 15 22 16 19 15 7 19 18 19 7 7 11 3 4 3 4 2 2 3 3 2 1 2 4 2 2 4 5 7 5 4 3 2 1 3 5 5 9 6 5 4 7 15 12 10 5 4 2 1 1 2 2 1 1 2 8 4 9 2 2 1 2 3 2 1 2 3 2 0 3 3 3 0 2 4 2 1 3 4 2 2 4 4 3 4 6 5 7 7 27 17 27 10 8 11 7 7 6 3 1 1 3 2 1 1 3 2 1 1 2 2 0 1 2 2 0 1 3 1 0 1 3 2 0 2 3 2 1 3 4 2 1 2 3 1 2 4 5 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 1 4 4 2 5 3 3 1 2 3 2 0 2 4 4 5 3 3 2 0 2 3 1 0 2 4 2 1 3 4 4 19 42 98 42 14 4 4 6 37 73 100 83 7 4 3 3 2 1 2 2 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 3 2 2 2 3 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 46 46 s 2H \| 40 40 d 2H J 26 \| 27 26 t 1H J 25	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NC(Cc2ccc(CC(F)(F)C(F)(F)F)cc2)C(c2cccc(Cl)c2)O1	ir: 2 1 1 5 2 6 6 14 11 4 1 4 3 1 3 3 3 14 4 2 1 0 1 3 1 2 4 8 4 2 2 2 2 0 1 4 11 4 1 41 55 5 2 2 3 6 3 15 26 4 1 1 3 1 1 4 13 22 12 1 1 1 1 1 1 3 12 32 31 9 5 3 1 1 1 1 5 3 3 1 1 1 1 0 0 2 14 14 7 11 19 6 4 3 18 42 22 4 1 4 5 2 1 12 1 1 1 2 6 4 2 3 3 6 10 2 2 18 8 8 4 3 2 3 10 16 9 14 4 4 6 1 1 1 1 1 0 1 1 2 7 3 2 0 1 3 2 5 25 10 4 4 4 7 24 100 11 0 1 2 3 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 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 2 1 1 1 3 4 2 4 10 14 9 40 88 33 10 3 2 2 3 2 3 2 0 1 1 0 0 1 1 0 0 2 2 2 2 6 27 28 7 2 2 1 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 dd 1H J 14 24 \| 74 73 m 3H \| 71 70 m 4H \| 57 57 d 1H J 73 \| 56 56 m 1H \| 43 42 dtd 1H J 42 59 73 \| 32 31 td 2H J 11 99 \| 31 30 ddt 1H J 9 59 141 \| 29 28 ddt 1H J 9 58 141	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@@]43C)[C@@H]1COC2	ir: 5 7 8 8 7 17 14 8 10 10 9 8 7 7 9 14 7 9 8 7 5 7 9 8 15 17 15 11 39 23 9 7 6 7 9 12 22 9 8 10 11 23 12 12 10 8 14 9 16 30 12 61 15 10 10 13 9 8 9 14 9 16 10 7 12 23 12 4 11 34 9 8 9 17 15 8 13 12 11 49 12 10 6 6 8 10 7 7 8 8 11 20 18 9 7 7 10 7 7 7 8 7 6 17 15 18 13 14 15 15 13 19 21 16 13 17 8 14 19 20 21 84 26 25 15 17 16 11 8 8 11 11 15 16 17 18 14 9 28 54 92 14 10 6 7 9 8 0 73 10 8 7 8 6 6 7 7 6 6 7 11 21 7 9 7 6 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 7 6 6 6 7 6 6 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 6 6 7 6 6 7 7 6 6 6 7 6 6 6 7 6 6 7 6 5 6 7 7 7 7 7 10 10 10 9 14 26 13 21 14 12 11 17 12 28 53 47 100 18 12 5 9 9 7 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 62 62 t 1H J 9 \| 39 38 dd 1H J 18 108 \| 37 37 dd 1H J 19 109 \| 37 36 dd 1H J 35 110 \| 35 34 d 1H J 108 \| 27 26 dddd 1H J 8 60 88 148 \| 26 24 m 2H \| 23 22 dd 1H J 70 148 \| 22 21 ddd 1H J 61 89 128 \| 19 18 m 2H \| 18 16 m 3H \| 15 13 m 2H \| 12 11 m 1H \| 12 11 s 3H \| 9 9 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)CCNCS(=O)(=O)c1cccc(Cl)c1Cl	ir: 3 5 3 7 9 4 7 4 4 6 7 5 13 11 0 7 5 1 1 2 2 0 0 1 1 0 1 2 5 6 1 2 2 2 1 16 5 7 7 12 15 17 7 37 17 7 6 17 9 16 46 32 6 6 2 2 2 0 2 2 3 4 6 15 9 23 29 3 4 4 2 3 4 18 11 2 1 1 2 2 1 1 3 6 91 9 3 3 2 2 11 2 2 3 2 3 8 10 3 2 1 2 3 4 4 7 26 75 32 9 16 9 2 10 6 5 5 13 16 7 4 4 4 8 3 4 6 3 1 11 41 4 3 5 4 22 10 7 5 10 1 2 3 17 56 12 6 1 3 2 1 1 1 1 3 11 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 2 2 4 3 3 2 2 2 2 2 3 13 20 0 21 33 14 8 3 2 2 2 1 2 1 2 2 2 1 2 1 1 5 10 31 100 21 6 7 2 1 0 2 2 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 78 78 dd 1H J 13 84 \| 76 76 dd 1H J 12 78 \| 75 74 dd 1H J 78 85 \| 44 44 d 2H J 76 \| 32 31 m 1H \| 31 30 q 2H J 57 \| 26 25 t 2H J 55 \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1cccc(-c2ncc(CCl)c(C3CC3)n2)c1	ir: 1 1 1 0 0 1 1 1 0 1 2 0 0 1 2 1 1 1 0 1 1 2 3 2 3 2 1 0 0 4 9 10 6 5 2 2 2 4 1 4 6 4 3 3 7 14 100 93 2 3 1 2 2 36 42 7 4 11 7 2 1 0 0 1 1 0 1 4 3 1 2 2 0 0 1 1 0 0 1 2 1 4 3 1 1 1 5 1 2 0 1 2 1 0 2 2 1 2 24 40 11 4 3 0 1 1 1 1 1 1 1 1 9 13 1 1 1 1 4 3 1 1 1 2 2 6 8 12 3 7 9 2 1 1 1 1 0 1 1 2 2 3 2 7 46 14 9 7 14 56 36 11 2 1 1 8 7 51 12 2 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 5 2 3 4 7 9 20 18 7 5 4 2 1 0 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 t 1H J 9 \| 85 85 t 1H J 21 \| 80 79 dt 1H J 18 88 \| 78 77 dt 1H J 18 104 \| 77 77 dd 1H J 87 104 \| 49 48 d 2H J 11 \| 20 19 p 1H J 59 \| 10 9 m 2H \| 9 8 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(CCC)C(=O)n1cnc(S(=O)CCC)n1	ir: 12 9 6 10 10 13 12 9 7 7 5 13 6 8 3 2 1 2 4 1 1 2 2 1 1 2 2 1 2 3 2 1 4 7 48 12 25 14 2 2 2 4 11 3 10 5 4 5 4 11 25 36 8 4 7 12 5 9 3 0 2 3 2 3 3 4 9 11 17 8 5 3 5 11 6 28 14 7 1 1 2 2 2 2 11 19 3 2 2 2 2 4 15 3 2 3 23 9 8 5 10 2 2 2 6 4 3 29 26 31 30 25 21 23 26 28 22 46 56 37 44 11 4 11 5 4 8 15 10 3 3 9 5 15 4 2 5 2 2 3 4 4 6 12 4 2 1 2 2 1 1 2 1 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 1 1 1 1 1 0 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 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 6 11 5 7 8 13 18 14 10 7 5 11 9 12 44 77 11 9 5 21 100 11 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 0 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 90 90 s 1H \| 33 33 m 4H \| 32 31 t 2H J 79 \| 21 20 h 2H J 78 \| 17 16 qt 4H J 61 78 \| 12 11 t 3H J 78 \| 9 8 t 6H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCn1ccc2ncnc(Oc3ccc(N)cc3F)c21	ir: 23 8 7 7 13 2 2 1 2 1 1 2 3 2 1 5 4 3 1 2 1 1 1 1 1 1 1 1 2 3 1 2 4 2 2 3 6 10 42 34 10 3 4 4 5 2 2 3 3 3 1 2 1 3 4 10 3 2 1 1 1 1 1 1 1 1 3 3 4 5 5 2 1 0 1 1 1 2 5 8 4 3 2 1 1 1 1 2 3 1 3 4 1 1 1 1 1 2 4 4 5 4 3 24 2 1 1 1 1 2 13 6 1 0 1 1 0 1 1 1 1 1 1 0 0 1 1 1 4 4 6 2 1 1 0 0 0 0 1 0 1 1 1 1 0 1 1 0 1 2 4 4 5 7 14 42 100 24 6 1 1 1 6 16 3 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 0 0 1 0 1 1 1 1 1 1 4 7 5 6 9 7 4 6 4 3 1 1 1 0 1 0 0 0 0 1 1 6 8 2 1 0 1 0 0 0 1 4 19 20 39 13 7 2 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 83 83 s 1H \| 75 75 dd 1H J 47 82 \| 73 73 dt 1H J 9 49 \| 68 67 dd 1H J 21 121 \| 66 66 dd 1H J 23 82 \| 64 64 d 1H J 51 \| 54 54 d 2H J 9 \| 44 44 s 2H \| 33 33 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cccnc1C	ir: 2 1 1 2 3 2 2 2 3 1 1 2 3 2 3 8 6 9 6 3 3 2 1 2 2 4 14 5 5 3 6 30 16 26 29 36 9 6 3 10 43 46 14 5 3 0 2 3 5 2 2 3 7 15 4 3 2 2 2 2 4 13 43 25 13 2 4 7 12 23 25 18 2 1 3 4 2 1 3 4 1 1 3 3 2 6 9 7 6 1 8 4 2 2 4 2 1 1 4 3 1 1 3 2 1 2 3 2 2 10 6 2 1 3 3 3 0 6 7 5 5 9 12 9 6 4 3 3 3 4 5 2 3 24 20 31 16 34 43 7 64 81 40 5 7 100 86 10 5 4 8 31 49 5 14 20 5 5 10 10 2 3 2 1 1 2 2 1 2 3 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 2 4 4 3 1 2 3 3 2 3 5 3 3 6 11 21 7 19 15 41 8 13 10 3 2 4 3 2 2 2 2 2 2 3 4 3 6 5 3 7 13 77 63 42 6 6 4 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 92 92 s 1H \| 83 83 dd 1H J 21 80 \| 83 82 dd 1H J 21 41 \| 73 73 dd 1H J 41 80 \| 24 24 s 3H \| 22 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@H]1CCC[C@H](C(=O)O)C1	ir: 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 2 1 2 3 7 19 26 14 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 3 4 2 4 2 3 2 3 2 3 4 10 10 4 2 1 1 2 4 3 1 2 2 2 2 5 6 24 5 6 1 3 3 2 1 1 2 2 1 1 1 1 1 4 4 2 2 3 1 1 1 1 2 1 2 2 2 3 1 2 2 5 3 2 2 2 1 1 1 1 1 1 2 2 1 1 2 2 3 2 5 8 7 12 4 8 1 1 1 1 1 3 6 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 1 3 1 1 0 1 1 1 0 1 3 1 6 70 100 8 2 4 12 17 5 1 1 1 2 6 4 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 32 31 dddd 1H J 29 57 68 137 \| 30 30 d 2H J 69 \| 24 23 m 1H \| 20 19 ddd 1H J 57 68 145 \| 19 18 m 1H \| 18 17 ddd 1H J 40 84 145 \| 17 16 m 3H \| 16 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]c(C(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C[C@@H]2n2cc(Br)nn2)c(Cl)c1Cl	ir: 5 10 5 3 3 3 6 11 5 6 13 4 4 4 2 3 3 1 2 3 2 6 2 1 1 3 5 4 10 11 8 3 2 3 2 1 1 2 9 8 37 10 10 3 39 95 14 7 3 1 2 4 2 2 4 2 2 3 3 2 6 1 2 2 6 16 4 9 6 4 4 3 1 1 2 1 3 6 3 2 1 1 1 1 1 1 3 3 4 12 2 1 2 2 2 2 6 7 6 4 1 2 2 6 22 9 9 11 10 5 5 3 2 3 7 6 7 2 5 9 13 11 9 11 6 7 5 7 4 7 17 5 4 4 15 40 8 8 3 2 1 3 7 48 8 2 10 36 12 6 15 75 31 15 10 5 2 20 3 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 4 5 2 2 3 2 4 3 4 8 16 6 24 30 14 8 12 5 2 4 2 2 2 2 2 3 2 1 1 1 2 2 1 3 4 4 6 10 65 31 100 13 7 10 4 2 2 2 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 95 95 s 1H \| 77 77 d 1H J 7 \| 74 73 m 7H \| 52 51 s 2H \| 48 47 ddt 1H J 8 31 39 \| 43 43 ddt 1H J 30 59 87 \| 42 42 dd 1H J 10 134 \| 40 39 dd 1H J 37 134 \| 37 36 ddd 1H J 54 81 133 \| 35 34 ddd 1H J 53 81 132 \| 24 24 s 2H \| 23 22 dddd 1H J 28 53 82 124 \| 20 19 ddt 1H J 55 81 126	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Nc1nc2cc(C(=O)O)ccc2[nH]1	ir: 1 2 5 2 4 3 4 2 1 2 3 4 4 12 3 3 2 8 4 6 11 57 43 7 8 3 5 36 11 10 2 2 2 2 1 1 5 3 1 1 1 2 2 1 3 21 100 58 9 0 2 4 3 4 11 5 1 1 1 1 2 5 2 3 1 2 19 3 4 3 2 1 1 2 4 20 6 5 12 10 4 2 2 2 2 3 2 4 3 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 5 17 3 1 1 3 7 0 1 4 24 4 2 2 2 2 1 1 3 6 3 3 4 1 1 1 2 6 1 1 2 2 2 1 1 1 1 6 2 14 5 23 3 2 5 2 0 9 10 3 10 50 2 2 5 2 1 1 2 3 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 4 7 3 2 2 2 2 1 1 1 10 3 1 1 1 1 1 2 2 1 2 3 1 2 9 15 46 31 8 2 2 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 d 1H J 21 \| 80 79 dd 2H J 22 79 \| 79 78 d 1H J 78 \| 37 37 s 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCC2C1CCCC2(O)C#Cc1ccccc1	ir: 18 10 9 7 6 6 35 37 11 6 4 55 5 6 5 3 1 3 5 1 2 2 2 1 1 3 3 1 5 6 4 1 4 4 4 8 39 33 20 8 12 5 3 3 3 15 16 7 3 2 3 2 1 1 1 2 2 2 4 3 2 1 3 7 4 6 3 6 34 34 7 9 57 75 21 9 43 26 5 3 4 3 3 1 4 5 7 15 20 13 11 36 13 8 9 25 13 4 4 3 3 3 9 11 0 19 55 15 10 5 8 35 14 10 23 19 10 21 4 3 4 6 3 4 7 2 3 3 4 4 4 8 21 6 17 34 17 2 4 2 1 6 80 25 4 2 2 5 5 0 63 49 11 5 2 0 1 1 6 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 4 4 3 2 5 6 12 3 5 11 12 4 9 10 51 23 57 61 100 26 10 5 3 2 10 96 40 2 0 1 1 2 1 1 1 2 1 1 3 2 2 2 3 2 2 2 3 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 75 74 m 2H \| 74 74 m 3H \| 42 41 q 2H J 65 \| 38 38 dt 1H J 35 48 \| 38 37 ddd 1H J 55 73 119 \| 36 35 ddd 1H J 55 73 119 \| 33 32 s 1H \| 24 24 dt 1H J 38 48 \| 22 21 dddd 1H J 37 55 73 121 \| 21 20 ddd 1H J 48 75 130 \| 20 19 m 2H \| 18 16 m 3H \| 16 15 m 1H \| 12 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)cc(OC)c1NC1CCCCCCC1	ir: 2 2 0 1 1 2 2 2 2 2 2 2 3 4 4 3 6 2 6 4 3 12 5 16 1 6 1 1 0 1 2 3 2 3 2 1 1 2 1 2 2 2 3 2 1 2 1 1 1 1 0 1 1 0 1 1 1 1 1 1 2 1 5 5 2 2 4 5 1 0 0 3 9 5 2 1 1 2 2 2 5 4 2 0 1 0 0 0 0 0 1 2 3 0 0 1 0 1 1 3 8 11 1 1 1 1 1 1 1 2 7 3 4 3 2 2 1 2 1 1 3 3 3 2 4 5 8 11 5 6 5 3 1 3 2 1 3 1 0 0 0 1 2 1 2 6 15 2 1 17 28 2 3 1 1 1 2 6 1 1 0 1 13 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 1 1 2 1 1 1 1 2 3 8 1 4 9 7 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 6 8 15 100 20 6 3 4 2 2 1 1 2 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; 1HNMR: 65 64 s 2H \| 49 48 d 1H J 86 \| 39 39 s 5H \| 32 31 dp 1H J 58 86 \| 24 23 s 3H \| 18 17 dtd 2H J 57 84 132 \| 16 13 m 14H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCN1C(=O)CSC1c1ccccc1	ir: 5 9 6 3 5 2 2 7 12 5 8 5 5 4 4 9 16 3 2 8 11 6 5 13 21 19 1 6 7 2 15 17 11 3 3 7 11 8 24 45 65 44 32 9 3 3 3 4 4 6 9 11 5 3 11 5 3 4 4 5 5 1 4 5 2 1 4 7 7 4 4 5 2 1 5 7 4 4 17 5 2 3 11 11 3 3 5 5 6 22 9 5 1 2 5 5 2 3 4 3 1 2 5 3 1 4 10 4 1 9 11 5 2 8 8 8 9 13 20 15 7 13 25 9 6 22 37 15 4 8 6 5 2 6 8 57 8 6 4 4 3 7 11 44 15 8 11 33 100 4 5 6 11 4 3 1 2 4 3 1 2 4 2 0 2 5 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 1 3 3 1 2 3 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 3 2 1 2 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 2 3 4 3 4 9 14 4 2 4 6 11 6 7 15 65 11 32 73 78 7 5 6 6 3 4 5 2 0 3 4 1 1 3 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 3 2 0 2 4 2 0 2 3 2 0 2 3 2 1 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 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0; 1HNMR: 75 73 m 5H \| 58 58 s 1H \| 37 36 m 3H \| 35 34 m 1H \| 17 16 m 3H \| 10 9 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(CC(C)=O)N2C(=O)c3cccc(N(S(C)(=O)=O)S(C)(=O)=O)c3C2=O)cc1OC	ir: 5 3 3 2 3 8 3 3 5 5 4 4 2 2 3 3 4 2 3 3 3 3 3 2 2 2 3 4 2 2 2 2 2 3 5 2 4 3 3 2 4 15 3 3 3 4 2 5 3 3 2 2 2 3 5 3 3 7 3 2 3 7 3 6 5 13 5 4 12 5 7 2 3 3 3 3 3 3 2 3 7 8 27 2 4 4 0 24 100 1 9 5 1 2 3 3 2 2 3 3 2 3 4 6 13 19 7 6 4 4 4 7 2 2 3 4 2 4 3 7 4 6 4 8 3 4 3 3 3 7 3 3 3 2 2 3 6 5 2 3 5 36 4 4 2 3 3 9 2 4 3 2 3 2 26 3 2 0 4 2 5 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 3 3 2 2 3 3 2 6 9 6 11 8 18 12 4 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 80 79 dd 1H J 12 72 \| 79 78 dd 1H J 12 74 \| 77 76 t 1H J 73 \| 69 69 m 1H \| 69 69 s 1H \| 69 68 d 1H J 77 \| 58 57 dd 1H J 49 57 \| 39 38 d 7H J 22 \| 36 36 s 5H \| 34 33 dd 1H J 54 155 \| 31 31 dd 1H J 55 154 \| 22 21 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCC(CCCC)COc1ccsc1C=O	ir: 3 4 7 6 3 4 5 2 4 2 3 3 5 3 1 2 3 2 2 2 3 2 4 3 3 2 1 2 2 1 1 2 1 0 1 2 10 9 5 9 15 16 13 46 87 42 17 3 2 3 2 10 20 5 2 2 2 3 2 1 1 2 5 2 3 11 8 8 13 26 13 7 2 1 5 4 3 1 3 4 2 2 4 6 2 1 1 1 1 1 11 4 2 2 2 4 3 2 5 4 5 5 11 11 11 20 9 10 8 5 5 5 1 3 5 5 4 4 7 17 2 8 2 3 4 4 4 1 2 3 6 18 24 42 7 1 1 1 1 1 1 2 4 49 3 3 1 1 1 1 3 4 1 7 32 100 11 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 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 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 1 1 1 1 1 0 1 1 1 1 2 1 2 8 3 3 11 18 10 5 4 5 6 9 7 7 49 28 14 6 7 5 80 52 20 7 2 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 99 99 s 1H \| 80 79 d 1H J 58 \| 68 67 d 1H J 58 \| 42 41 dd 1H J 59 113 \| 39 39 dd 1H J 57 114 \| 17 16 pt 1H J 59 75 \| 16 14 m 2H \| 14 12 m 14H \| 9 8 ddt 6H J 16 53 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c(CCCCCc2ccccc2)nc2ncccc12	ir: 1 1 1 1 1 1 3 1 4 1 1 1 1 2 1 1 1 2 1 1 3 2 1 1 5 3 1 1 2 3 3 2 2 1 1 1 2 9 13 3 7 5 5 2 2 3 5 3 10 100 44 9 2 2 3 2 1 1 2 1 5 2 1 4 2 1 1 3 4 3 2 3 1 1 1 1 2 1 3 2 8 2 2 1 1 1 7 1 10 1 1 1 1 1 1 2 2 5 2 1 2 1 1 1 1 1 5 2 1 1 2 5 2 2 3 2 1 2 4 3 3 2 3 1 1 1 2 1 1 2 2 3 15 3 4 14 2 2 3 7 1 2 8 9 13 4 80 21 2 1 1 4 2 1 2 1 2 5 16 11 40 67 1 4 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 2 2 3 7 5 5 39 21 13 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 5 17 13 17 14 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 dd 1H J 20 38 \| 85 85 dd 1H J 21 74 \| 75 74 dd 1H J 38 75 \| 73 72 m 3H \| 72 71 ddt 2H J 9 17 78 \| 28 27 t 2H J 79 \| 27 26 tt 2H J 9 80 \| 17 16 m 2H \| 16 15 qd 2H J 70 78 \| 15 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)CO	ir: 5 6 3 9 16 8 20 6 2 2 1 2 1 5 6 4 3 2 4 1 1 1 1 1 2 1 1 1 1 1 1 0 1 1 1 1 0 2 1 1 1 1 1 2 2 1 1 0 1 2 2 1 2 4 20 11 3 1 1 2 2 1 1 1 3 1 1 2 2 2 2 3 1 2 2 7 12 18 2 1 2 3 1 2 4 9 7 10 21 11 74 14 9 12 2 7 1 2 2 2 2 1 1 0 0 1 1 3 4 1 1 1 2 2 1 1 3 1 1 1 1 3 1 2 2 1 1 1 1 1 1 0 2 1 0 1 1 0 0 0 0 0 0 1 1 1 18 6 2 2 1 1 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 1 0 0 0 0 1 0 1 0 0 0 1 1 1 1 1 1 1 1 2 2 2 1 1 2 1 2 2 1 2 1 1 3 4 10 2 7 30 9 2 7 9 6 3 9 100 53 10 3 4 3 3 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H \| 72 71 dt 2H J 9 80 \| 39 38 dd 1H J 60 114 \| 37 37 t 1H J 59 \| 37 36 dd 1H J 59 114 \| 36 35 s 1H \| 29 28 ddt 1H J 9 59 137 \| 26 25 ddt 1H J 9 59 137 \| 23 22 p 1H J 57 \| 18 17 dddd 1H J 57 72 88 130 \| 16 15 m 2H \| 15 14 ddd 1H J 73 88 128 \| 11 11 s 2H \| 11 10 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)(N)C(N)=O	ir: 5 4 4 6 6 4 3 6 6 9 6 11 6 65 29 7 5 5 4 5 6 4 5 7 9 4 6 6 6 5 9 11 8 14 50 39 6 5 4 4 5 5 4 5 5 4 4 5 4 3 3 6 4 2 6 13 23 3 11 52 22 61 16 2 6 8 15 15 20 7 7 12 13 10 9 8 10 4 4 3 5 5 5 4 8 22 10 4 4 4 4 5 5 4 8 9 6 11 9 10 10 6 5 4 4 4 4 4 4 4 4 4 4 4 4 4 6 6 9 7 5 4 5 5 6 8 5 9 10 9 52 18 2 34 24 9 5 4 5 4 4 4 4 4 5 10 6 4 4 4 4 3 4 4 5 6 28 20 10 3 4 4 4 3 4 4 4 3 4 4 4 3 3 4 4 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 4 3 4 4 4 4 4 4 3 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 4 4 4 3 4 4 4 3 3 4 4 3 3 4 3 3 4 3 3 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 3 4 4 4 4 4 4 5 6 4 4 5 4 5 5 5 4 4 6 6 7 6 5 4 3 4 4 3 3 4 4 3 3 4 5 5 5 9 28 32 15 15 29 6 0 14 100 89 16 0 0 6 6 1 79 27 8 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 3 3 5 4 3 4 5 4 3 4 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3; 1HNMR: 65 65 s 2H \| 26 26 s 2H \| 20 19 dq 1H J 78 156 \| 17 16 dq 1H J 78 155 \| 13 13 s 3H \| 9 8 t 3H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=N)CCSCc1ccc(CN(C)C)o1	ir: 7 7 7 2 4 5 3 3 3 6 3 5 7 2 0 1 1 0 0 1 3 2 2 1 3 2 3 3 13 24 43 46 19 18 5 7 7 10 9 9 4 6 6 6 2 2 1 1 2 3 2 5 5 14 6 7 6 6 20 6 1 3 3 3 22 2 5 1 3 6 6 11 7 16 22 16 9 14 45 46 17 3 7 17 10 0 1 2 1 1 2 4 9 19 19 7 4 8 13 5 4 4 4 3 5 2 3 4 1 6 22 45 14 16 22 12 2 8 7 18 15 4 8 6 12 9 6 12 11 4 12 4 7 5 2 1 1 1 1 1 1 3 9 9 20 20 9 8 16 13 14 21 8 12 3 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 1 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 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 1 1 1 1 2 3 2 4 3 1 8 4 3 3 2 3 7 28 33 10 6 9 20 34 12 14 5 2 3 1 1 1 1 2 1 5 28 100 26 7 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; 1HNMR: 79 79 s 1H \| 66 66 dt 1H J 9 48 \| 64 63 dt 1H J 9 48 \| 44 43 d 2H J 7 \| 42 41 q 2H J 64 \| 38 38 d 2H J 9 \| 29 28 t 2H J 56 \| 28 27 s 5H \| 27 26 t 2H J 56 \| 13 12 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Cc2[nH]c(=O)c(CC(C)C)[n+]([O-])c2OC)cc(OC)c1OC	ir: 9 3 0 8 11 2 1 4 6 3 2 6 6 5 5 4 6 3 5 6 4 1 2 5 4 4 11 7 6 2 2 4 2 1 2 3 3 1 2 4 3 0 4 5 8 17 8 8 56 100 12 19 25 98 27 7 5 2 7 5 7 3 6 20 4 7 7 9 52 13 4 8 7 7 5 6 2 11 16 17 5 2 4 7 2 1 3 4 1 2 8 8 7 5 4 3 1 2 4 6 5 7 7 7 25 39 6 8 5 8 8 5 1 4 5 3 2 5 11 4 6 9 7 2 5 10 7 10 4 4 4 2 1 3 4 4 2 5 10 19 12 9 10 5 2 3 3 1 1 3 2 1 1 3 3 5 31 5 3 18 70 28 8 6 3 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 3 1 4 5 2 0 4 12 6 3 4 5 6 11 11 21 24 5 16 98 12 7 4 2 3 2 2 2 2 2 2 3 2 3 3 4 3 2 4 8 5 12 9 19 36 31 13 7 4 3 5 3 2 2 3 3 1 2 3 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1; 1HNMR: 83 82 s 1H \| 76 76 s 1H \| 64 64 t 2H J 9 \| 52 51 t 1H J 80 \| 41 40 t 2H J 10 \| 40 39 s 3H \| 39 38 d 9H J 22 \| 23 22 ddd 1H J 73 81 141 \| 20 19 dt 1H J 78 141 \| 19 18 m 1H \| 10 10 d 3H J 63 \| 10 9 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C#N)c1-c1cccc2c(N)c3c(nc12)CN(C1CCC1)C3=O	ir: 2 2 2 2 2 2 2 2 4 3 3 2 2 2 2 2 3 4 3 2 2 2 2 3 3 3 2 3 3 3 3 3 2 2 2 2 2 2 2 2 4 5 12 2 3 16 6 3 9 3 3 3 3 2 3 2 4 3 3 2 2 3 2 2 2 2 2 2 2 2 4 3 2 2 2 3 4 4 4 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 4 2 2 2 2 2 2 4 2 2 2 2 2 2 3 2 7 4 2 2 2 3 7 6 4 3 2 2 3 6 2 28 7 3 2 2 5 4 0 5 36 3 7 3 11 3 4 6 0 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 5 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 3 4 4 5 7 5 5 2 2 2 3 2 2 2 2 2 2 3 2 2 3 2 29 3 1 2 3 1 1 3 3 1 2 6 100 21 4 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; 1HNMR: 82 81 m 1H \| 77 77 dd 1H J 7 86 \| 75 75 dd 1H J 12 65 \| 75 74 t 1H J 86 \| 74 74 m 1H \| 74 73 s 2H \| 71 71 dd 1H J 12 70 \| 47 47 s 2H \| 42 42 p 1H J 52 \| 39 38 s 2H \| 20 19 m 2H \| 19 18 m 2H \| 18 17 dtdd 2H J 9 51 77 112	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccnc(-c2nc(-c3cscn3)n(Cc3ccccc3F)n2)c1	ir: 7 6 4 4 3 3 2 2 1 2 2 5 1 2 4 6 5 1 2 1 1 1 1 1 1 2 2 2 1 3 3 0 14 15 2 2 2 1 1 2 3 4 30 13 33 7 2 1 1 1 6 2 1 1 1 1 2 3 10 4 3 3 3 2 3 1 1 3 14 2 4 1 1 4 1 2 2 39 5 4 2 2 0 1 1 1 1 1 2 7 1 2 3 2 1 1 1 1 0 2 3 5 2 1 15 5 2 34 2 1 1 1 4 6 4 2 3 1 0 1 1 0 1 1 3 2 2 9 19 6 1 1 2 1 0 7 6 27 5 1 2 2 1 3 2 10 2 3 2 15 5 3 2 7 2 12 13 8 1 2 1 3 13 71 6 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 3 2 2 4 11 21 46 16 5 3 3 7 4 3 2 4 1 1 0 1 1 1 1 2 12 11 3 2 1 0 0 1 1 1 0 1 100 14 2 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 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 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: 90 89 d 1H J 18 \| 86 86 d 1H J 39 \| 76 75 d 1H J 16 \| 74 74 d 1H J 21 \| 74 73 m 2H \| 72 71 qd 2H J 14 88 \| 65 65 dd 1H J 22 40 \| 57 56 dd 2H J 9 38 \| 50 50 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(NC(=O)N2CCN(c3ccnc(-c4ccc(F)cc4F)c3)CC2)c1C	ir: 12 13 5 4 10 4 8 3 32 9 8 2 1 4 8 4 1 4 4 8 13 4 11 6 4 2 4 2 1 3 3 1 2 7 3 5 6 7 2 2 3 2 4 10 54 80 28 30 21 10 6 0 3 7 45 9 9 6 6 2 3 6 6 4 5 12 18 50 31 16 6 3 5 17 14 4 4 5 4 2 4 2 1 3 5 3 6 3 12 10 6 8 5 4 10 4 4 7 4 3 4 3 8 2 8 3 1 2 3 4 1 3 4 4 4 5 5 5 1 5 6 5 4 4 9 10 7 4 4 7 5 6 6 11 39 4 5 2 1 4 8 3 6 11 6 9 2 3 7 50 16 5 88 18 17 10 37 66 17 7 10 1 4 6 99 4 6 5 3 0 2 3 2 0 2 3 2 1 2 3 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 3 2 1 1 2 2 1 2 3 1 0 1 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 3 2 2 4 3 1 3 5 3 2 4 5 6 7 17 15 17 40 16 5 5 2 3 3 2 2 2 3 2 2 2 3 2 1 2 3 2 4 3 5 100 27 11 8 5 6 5 2 2 1 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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: 85 84 m 2H \| 79 78 dt 1H J 50 85 \| 71 70 m 3H \| 67 66 dd 1H J 21 48 \| 36 35 m 5H \| 33 32 m 4H \| 22 22 s 2H \| 20 20 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)cc(OC)c1OC(=O)C(Br)C(C)OC	ir: 2 29 10 12 14 4 5 4 8 2 2 2 3 3 1 4 4 5 4 5 2 2 1 2 2 1 3 3 2 2 1 1 1 0 1 1 1 0 0 1 1 1 1 1 3 3 2 5 1 1 2 2 1 0 2 4 5 17 7 12 2 1 5 36 9 12 19 11 4 2 3 9 28 20 8 2 4 5 9 6 1 4 12 2 0 0 1 1 3 14 4 2 1 1 4 8 5 16 9 2 1 1 2 2 1 1 1 1 1 1 3 3 3 3 10 26 10 21 12 7 6 7 4 2 3 9 3 2 1 5 8 1 1 1 2 1 0 2 6 11 3 2 2 2 56 85 9 2 1 1 1 1 1 1 1 1 6 2 1 1 1 45 2 1 1 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 1 1 2 3 3 1 0 1 2 1 3 5 9 15 4 9 9 23 11 32 100 30 9 2 1 1 1 1 1 1 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 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 65 65 s 2H \| 44 44 dq 1H J 16 75 \| 43 42 m 1H \| 39 39 s 5H \| 33 33 d 3H J 16 \| 24 24 s 3H \| 14 13 dd 3H J 15 57	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(Cl)cc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)n1	ir: 2 2 1 2 3 1 2 1 1 3 7 2 1 2 6 2 5 3 3 2 2 4 2 1 2 3 8 1 1 1 1 1 1 1 1 0 3 1 1 1 1 16 41 7 51 3 3 3 1 1 1 1 2 21 11 2 2 1 1 1 1 2 3 8 10 14 5 4 3 3 3 1 1 2 2 3 3 3 3 2 15 2 0 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 2 3 1 1 2 2 1 1 2 13 7 3 2 10 2 1 2 2 2 1 17 1 2 4 4 2 3 2 1 0 2 2 4 2 10 2 15 39 5 3 43 3 1 2 9 7 1 4 8 26 100 9 3 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 2 1 1 1 1 2 2 2 1 2 2 2 2 8 5 8 9 8 7 4 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 4 33 5 4 2 1 1 0 0 1 2 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 77 76 dd 3H J 72 101 \| 72 72 d 1H J 22 \| 70 69 d 1H J 92 \| 43 42 ddt 5H J 33 42 68 \| 30 29 s 2H \| 27 27 s 3H \| 16 15 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Oc1ccnc(C(F)(F)F)c1)C(F)(F)F	ir: 16 7 9 8 17 12 13 25 41 58 27 18 20 7 6 6 8 18 4 3 3 5 7 3 5 4 24 9 5 3 2 3 3 7 27 9 3 1 2 3 2 2 4 7 7 12 19 21 6 0 4 5 5 1 24 62 15 7 4 3 3 1 3 4 10 8 17 15 8 44 83 79 56 61 37 5 3 2 3 3 2 3 12 14 15 100 53 19 17 10 3 3 4 3 9 56 70 60 92 12 40 36 16 4 3 2 5 7 4 5 3 2 1 2 2 2 2 7 15 3 2 2 3 4 5 3 3 2 1 2 2 1 1 2 2 2 2 6 4 2 2 2 2 2 3 5 6 11 16 25 4 4 5 4 3 2 2 4 4 9 35 32 5 5 2 3 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 4 3 13 40 49 23 6 2 3 2 2 2 2 2 2 2 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 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 85 85 d 1H J 40 \| 75 75 d 1H J 20 \| 73 72 dd 1H J 22 40	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1c(Cl)csc1Cl)C(F)(F)F	ir: 9 4 10 5 5 3 1 4 6 7 3 3 4 3 2 3 4 3 6 12 7 3 3 7 7 7 13 11 5 5 6 6 8 4 8 13 7 5 10 11 27 57 16 19 15 5 67 78 26 8 32 6 17 16 12 25 32 44 13 16 6 3 5 4 5 2 5 6 21 49 7 3 5 4 4 3 3 4 2 15 61 2 3 4 2 3 3 3 3 2 3 3 4 7 19 5 3 4 64 57 9 50 69 15 4 3 3 6 4 3 3 11 43 32 4 3 2 3 3 3 2 3 3 3 2 4 6 14 31 4 4 4 3 3 2 4 4 13 81 12 0 6 6 3 7 100 47 7 17 6 4 14 33 55 20 19 12 9 3 3 3 3 3 3 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 12 17 8 3 4 4 3 70 29 31 6 4 5 3 3 4 4 5 4 5 4 4 4 5 8 43 66 15 25 92 49 15 4 3 5 5 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2; 1HNMR: 83 83 s 0H \| 83 83 s 1H \| 74 74 s 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1OCC(=O)N1[C@H](C)CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@@H]1C	ir: 11 12 2 29 13 6 7 11 19 7 9 49 13 9 15 14 8 7 4 6 9 5 2 8 24 15 9 19 5 2 2 5 6 4 8 12 9 7 7 9 10 12 58 76 9 9 18 7 7 2 5 10 5 2 17 19 4 5 5 11 22 30 6 14 18 10 6 6 9 21 18 9 7 4 23 68 17 11 22 45 11 5 14 12 18 10 21 57 21 32 31 15 39 11 8 9 9 10 10 6 8 10 12 33 49 8 13 8 4 8 7 4 1 4 6 4 1 3 10 6 2 10 34 18 7 5 10 5 6 9 8 4 5 8 8 21 25 30 14 6 4 8 53 8 2 12 47 33 38 10 7 3 6 5 5 4 3 8 10 2 2 6 3 0 2 5 3 0 3 5 3 0 3 5 3 0 3 5 2 1 3 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 1 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 0 2 5 3 0 3 5 3 0 3 5 2 0 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 3 2 3 5 4 2 4 6 7 2 5 6 7 1 9 15 17 11 43 100 44 50 13 4 6 2 4 4 3 2 3 4 3 2 3 5 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 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 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1; 1HNMR: 85 84 t 1H J 22 \| 81 81 d 1H J 91 \| 79 79 m 1H \| 79 78 m 2H \| 76 75 m 2H \| 70 69 m 1H \| 69 68 m 3H \| 47 46 m 2H \| 44 43 qdt 2H J 37 62 80 \| 39 38 s 2H \| 36 35 dd 2H J 35 115 \| 33 32 dd 2H J 62 114 \| 13 13 d 6H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cc(=O)c3c(O)c(O)c(OC)cc3o2)cc1	ir: 4 4 1 2 4 4 2 3 4 7 13 43 37 18 22 6 8 4 9 17 5 8 5 3 2 3 3 2 2 2 2 3 3 3 3 4 2 2 2 2 2 1 4 2 2 4 7 3 5 4 3 5 5 8 9 10 6 5 3 5 4 2 4 5 15 28 9 13 6 3 3 3 7 11 5 4 4 6 3 2 3 3 7 30 7 5 4 4 2 3 22 31 5 3 2 2 2 3 13 2 2 2 1 2 2 2 2 2 3 3 4 2 2 2 2 3 3 4 2 2 2 2 1 2 2 2 2 3 2 2 2 2 2 4 5 2 2 1 2 2 2 2 2 2 2 2 1 4 20 24 4 2 5 4 2 2 2 3 2 0 11 49 2 3 22 4 2 3 2 2 1 2 1 1 2 2 2 2 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 2 2 2 2 1 1 2 2 2 2 2 1 1 1 2 2 2 1 2 2 1 1 2 2 1 1 1 1 1 1 2 2 2 1 1 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 3 4 3 7 28 10 7 5 2 3 4 13 100 14 2 2 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 m 3H \| 77 77 s 1H \| 70 70 m 3H \| 66 66 s 1H \| 65 65 s 1H \| 39 39 s 3H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C(=O)NC(C)c2ccc(NCc3cccc(C)c3)cc2)s1	ir: 2 1 2 1 2 2 4 7 5 5 7 6 3 4 0 2 1 2 2 7 3 1 4 2 2 1 2 1 1 1 2 1 1 1 1 5 1 1 2 1 4 29 30 4 2 3 6 3 2 1 1 1 2 3 5 5 7 2 1 1 4 3 1 1 0 1 1 1 1 1 2 1 1 2 1 1 1 0 1 1 1 1 1 1 1 0 2 2 2 0 1 1 1 1 1 2 2 4 6 1 1 1 1 1 2 5 2 1 0 5 6 2 1 3 1 2 1 2 2 3 3 12 6 4 2 2 2 2 2 2 1 1 0 1 1 0 0 2 2 10 4 6 34 1 6 8 7 100 6 3 1 19 3 10 2 3 1 1 1 1 1 0 0 9 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 2 1 3 5 22 11 6 6 2 1 1 1 2 1 0 1 1 1 2 1 2 1 1 1 2 2 2 9 19 34 10 4 6 1 2 0 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 d 1H J 71 \| 78 78 d 1H J 71 \| 76 75 d 1H J 77 \| 73 72 m 4H \| 72 71 td 1H J 7 16 \| 71 70 m 1H \| 67 67 m 2H \| 52 51 m 1H \| 50 49 t 1H J 53 \| 45 44 m 2H \| 39 39 s 2H \| 23 23 m 2H \| 16 15 d 3H J 59	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(NC(=O)OCc4ccccc4)C3)nc21	ir: 5 2 2 3 0 3 6 2 4 3 8 4 5 6 2 5 5 8 11 8 37 85 13 13 2 4 3 5 15 5 5 2 7 7 5 10 7 8 10 12 24 3 6 1 2 8 5 7 80 12 5 7 2 0 3 3 1 1 2 2 1 2 5 9 2 3 4 6 8 5 2 2 5 9 10 4 11 27 5 4 2 1 4 2 5 10 2 7 10 8 3 3 4 4 3 2 2 4 9 11 4 4 3 4 6 6 4 1 3 3 5 4 3 2 3 3 1 2 5 8 4 3 6 3 10 5 16 3 1 3 1 4 4 3 3 19 5 7 27 8 2 4 6 42 7 100 48 9 8 44 3 3 3 35 7 3 2 1 2 4 19 8 37 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 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 1 0 0 1 1 1 1 1 2 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 2 1 2 3 2 1 1 3 7 4 10 15 12 4 3 2 4 0 2 3 28 65 36 1 2 2 1 0 1 1 1 1 1 8 14 11 14 8 3 3 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 1 1 1 1 0 1 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 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; 1HNMR: 87 87 t 1H J 9 \| 80 80 d 1H J 121 \| 74 73 m 6H \| 51 51 s 2H \| 46 45 qd 2H J 9 83 \| 45 45 d 1H J 75 \| 42 41 m 1H \| 40 40 m 1H \| 37 36 m 2H \| 36 35 ddd 1H J 55 75 141 \| 22 21 m 1H \| 19 18 m 1H \| 14 13 t 3H J 83	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2ccnc(N)n2)sc2ccc(Nc3ccc4c(c3)OCO4)cc12	ir: 3 5 4 6 3 4 6 5 7 5 3 11 5 6 7 10 3 5 3 5 5 5 6 6 5 7 7 2 5 6 7 5 7 4 9 10 13 11 27 13 8 6 4 19 10 17 9 10 2 4 3 3 5 15 12 7 4 5 4 3 3 3 2 2 8 21 32 25 7 10 6 6 9 14 5 2 3 3 2 3 2 2 2 3 2 2 2 3 3 5 4 3 3 3 2 6 3 2 2 4 3 4 3 11 3 3 0 30 15 2 4 2 2 2 3 3 2 3 3 4 3 4 3 3 3 3 4 2 3 3 4 2 2 2 3 6 5 4 6 3 6 7 9 3 19 46 30 9 27 98 14 32 8 17 9 6 32 6 3 3 6 4 3 3 19 5 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 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 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 3 2 4 5 12 13 12 12 7 3 3 4 2 2 5 5 2 2 3 3 3 3 5 9 16 4 5 3 6 19 30 10 5 4 7 11 100 8 4 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 83 83 d 1H J 38 \| 79 79 d 1H J 77 \| 76 75 d 1H J 22 \| 72 72 d 1H J 40 \| 71 70 dd 1H J 22 77 \| 69 69 dd 1H J 21 87 \| 69 68 d 1H J 88 \| 66 66 d 1H J 22 \| 64 64 s 2H \| 62 62 s 1H \| 60 59 s 2H \| 26 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC(O)CNc1cc(/C=C/c2ccccc2)nc2ccccc12	ir: 5 11 3 13 19 13 14 17 12 15 15 7 11 6 6 5 3 2 2 1 2 1 3 2 3 6 13 4 5 5 7 1 1 2 2 2 3 3 6 4 35 16 3 50 15 5 3 1 7 2 1 2 1 1 1 2 1 2 2 1 3 3 4 2 3 3 7 15 8 8 5 8 5 12 7 14 9 6 1 1 2 2 3 4 4 9 4 15 30 19 47 18 12 3 4 4 4 2 1 1 1 2 3 7 4 3 3 2 1 1 1 1 2 2 17 2 3 8 11 4 2 3 2 5 4 8 2 2 3 3 5 10 6 3 3 8 13 15 4 6 5 3 11 30 20 7 3 2 3 37 12 2 2 2 1 6 2 2 2 3 10 100 2 6 4 5 1 12 2 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 1 3 3 3 1 9 17 26 62 18 7 5 6 9 15 69 76 59 24 2 2 1 1 2 1 1 2 3 6 3 10 18 35 28 11 31 3 6 4 2 3 2 2 1 2 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; 1HNMR: 81 81 m 1H \| 80 80 dd 1H J 14 73 \| 77 77 td 1H J 13 71 \| 77 76 m 2H \| 75 75 d 1H J 154 \| 74 72 m 6H \| 69 69 s 1H \| 44 43 t 2H J 54 \| 39 37 m 2H \| 36 35 m 2H \| 33 33 ddd 1H J 47 66 132	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCNC(=O)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c2c1OC(C)(C)C2	ir: 1 3 8 2 1 5 4 3 1 3 7 4 4 2 4 2 2 6 4 3 3 4 5 11 3 10 9 12 12 17 13 9 14 8 4 9 8 5 3 4 5 5 11 16 32 3 81 2 5 5 4 2 3 4 3 0 2 5 3 0 2 4 2 1 3 4 2 0 3 7 3 0 2 4 1 1 2 3 1 0 4 4 1 1 2 3 1 1 3 2 1 1 3 3 1 2 49 4 1 1 3 3 1 3 7 11 3 4 6 8 7 5 6 7 10 9 6 5 2 6 6 4 12 6 20 5 1 3 4 2 4 8 4 2 1 5 14 3 4 12 4 8 5 4 11 5 40 18 22 14 2 15 4 13 5 3 9 15 7 18 3 3 2 7 2 1 1 2 2 0 2 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 3 2 1 1 2 2 0 1 3 2 0 2 3 2 0 2 3 2 0 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 3 2 2 3 2 2 2 3 2 2 2 4 3 3 10 3 5 14 23 5 3 2 3 3 2 1 3 3 2 2 2 3 1 2 3 5 3 3 4 8 8 21 100 39 20 8 6 6 2 2 4 4 2 1 2 2 1 2 3 2 1 2 2 2 1 1 2 2 1 2 3 2 0 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 90 90 s 1H \| 84 83 s 1H \| 78 78 s 1H \| 77 77 t 1H J 49 \| 74 74 d 2H J 81 \| 72 71 t 1H J 81 \| 33 33 q 2H J 50 \| 32 31 s 2H \| 17 16 tt 2H J 51 72 \| 14 14 s 5H \| 14 13 m 5H \| 9 8 ddt 3H J 26 43 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2n[nH]c3cc(C(=O)NCc4ccc(Cl)cc4)ccc23)CC1	ir: 16 4 3 6 8 2 2 1 1 1 2 2 15 18 11 3 3 20 2 4 10 7 2 3 3 1 2 3 2 2 3 3 9 16 7 35 32 11 5 44 12 3 4 3 2 4 2 3 10 2 6 4 13 14 31 12 11 3 2 4 2 2 2 1 3 5 4 5 4 4 2 2 1 2 2 4 4 4 4 5 38 6 2 4 15 3 9 2 3 4 5 3 2 5 11 6 7 15 16 4 7 42 10 2 2 2 2 2 1 2 3 11 39 19 14 3 3 4 5 5 3 10 13 8 100 10 2 4 2 2 4 24 4 4 18 3 4 3 5 13 2 2 11 26 10 22 18 9 73 9 3 5 8 2 8 4 3 1 2 2 2 1 1 2 2 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 1 2 2 2 0 2 4 1 2 7 20 32 48 32 5 5 10 3 2 2 3 2 1 2 2 2 1 3 2 1 3 6 5 7 5 9 25 73 46 37 21 4 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 t 1H J 57 \| 82 81 m 2H \| 78 78 dd 1H J 22 92 \| 73 73 dt 2H J 9 79 \| 73 72 m 2H \| 46 45 dt 2H J 9 58 \| 37 36 m 4H \| 29 29 s 3H \| 27 26 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCNC(=O)NC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1	ir: 4 3 0 4 10 6 2 3 5 4 0 6 4 1 0 2 4 4 5 3 3 2 1 5 20 9 2 3 4 5 7 3 3 0 1 5 8 3 11 69 67 9 3 3 5 3 5 3 3 2 3 4 4 4 9 24 7 5 3 4 4 1 2 4 3 1 4 18 3 11 2 3 4 8 9 16 6 2 4 4 5 2 16 12 8 6 3 3 1 1 2 18 4 3 2 4 3 3 7 6 4 9 7 6 3 3 4 2 1 2 3 3 5 4 4 3 2 5 7 9 12 5 4 10 5 11 6 3 1 2 4 2 1 2 4 2 1 6 3 2 4 3 3 1 3 9 5 13 24 100 91 6 3 3 2 1 1 3 2 1 2 3 2 1 1 2 1 0 1 2 1 0 1 3 1 0 3 6 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 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 2 2 1 0 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 4 2 4 4 3 2 2 3 2 3 3 8 9 3 13 30 5 3 3 3 3 1 2 3 3 1 2 2 2 2 3 14 5 2 4 3 14 21 40 37 45 9 11 4 1 1 3 3 1 2 2 2 3 3 3 3 1 1 2 2 0 1 3 2 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 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 74 73 m 2H \| 72 72 ddt 1H J 9 21 82 \| 61 61 t 1H J 63 \| 56 56 t 1H J 34 \| 41 41 dd 2H J 26 33 \| 41 40 m 1H \| 38 38 ddd 1H J 33 60 104 \| 37 36 m 3H \| 35 34 ddd 1H J 51 63 141 \| 32 32 ddd 1H J 51 63 139 \| 31 30 dd 1H J 16 125 \| 29 28 dd 1H J 44 126 \| 28 27 ddd 1H J 33 59 126 \| 26 25 ddd 1H J 32 59 125 \| 24 24 t 1H J 25	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CC)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)C(=O)NC	ir: 2 5 1 1 1 4 0 1 1 0 3 1 0 1 1 0 1 1 0 0 1 1 0 1 1 1 1 2 2 1 1 1 1 2 6 3 7 17 16 15 29 7 4 5 17 40 11 2 2 3 0 0 0 1 2 10 2 3 1 1 1 1 1 0 1 2 5 4 2 1 4 1 1 1 0 1 1 0 1 2 1 1 8 3 2 1 2 3 39 4 1 1 2 2 1 1 1 2 1 30 1 2 1 1 0 0 0 1 1 0 2 2 2 0 2 3 2 2 3 5 7 3 5 13 8 4 4 2 1 1 1 0 1 8 7 61 5 1 3 1 1 4 13 100 22 18 5 17 11 3 9 3 3 5 1 1 1 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 3 3 3 3 5 10 8 11 2 5 3 1 1 1 1 0 0 0 1 1 1 1 1 0 1 1 2 2 2 6 12 75 15 9 6 7 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 dq 1H J 24 110 \| 79 78 d 1H J 110 \| 77 77 s 1H \| 64 63 q 1H J 50 \| 41 41 d 2H J 54 \| 28 27 d 3H J 49 \| 20 19 dq 2H J 70 148 \| 17 16 dq 2H J 70 150 \| 15 14 m 1H \| 9 9 t 6H J 69 \| 7 7 m 2H \| 5 4 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cc2ccccc2nc1Br	ir: 2 1 2 3 4 2 1 1 2 5 1 1 2 1 1 1 1 2 1 1 1 1 1 2 2 1 1 4 6 2 1 4 4 1 1 2 2 2 1 2 2 0 17 6 4 3 18 42 12 6 2 1 2 3 2 1 3 2 1 4 17 4 1 1 1 2 2 1 2 7 3 2 2 2 3 12 4 3 1 1 3 3 3 5 9 15 26 14 30 4 10 12 4 3 3 2 2 2 2 2 1 1 3 2 1 13 8 4 1 1 2 1 1 1 1 2 1 1 1 1 1 2 1 2 2 4 7 2 2 2 1 1 1 1 2 1 9 4 6 1 1 1 3 7 2 5 41 4 1 2 5 2 3 15 2 1 12 3 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 2 2 2 2 1 2 2 2 2 1 2 2 2 2 2 3 5 47 15 6 3 13 2 3 7 100 11 5 6 7 2 2 2 2 2 1 2 2 2 1 2 2 2 1 1 1 1 1 2 2 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 m 1H \| 81 80 m 1H \| 78 78 td 1H J 11 79 \| 78 77 m 1H \| 75 74 m 1H \| 48 48 dd 2H J 9 62 \| 36 35 t 1H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cccc(N(Cc2cccc(OC(F)(F)C(F)F)c2)CC(O)C(F)(F)F)c1	ir: 36 22 23 23 7 27 23 14 6 7 7 5 4 6 16 9 10 6 6 3 2 5 5 6 5 4 3 4 6 9 3 6 12 8 4 4 6 7 5 6 7 5 3 2 2 5 8 22 29 8 9 5 3 4 4 2 3 3 2 1 4 4 2 6 9 9 6 16 24 24 5 8 7 25 4 3 5 9 5 4 9 10 15 51 8 5 14 35 31 21 28 8 6 5 4 3 7 8 14 10 2 6 31 17 6 6 3 3 7 7 3 2 4 2 0 3 5 3 2 3 5 6 1 3 5 4 3 2 3 2 1 2 4 2 1 3 2 1 2 5 12 7 2 3 2 1 1 2 2 0 1 5 10 9 19 11 7 5 8 32 5 8 11 19 42 5 6 3 2 1 2 3 1 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 3 2 2 2 3 3 4 2 5 5 3 6 7 16 52 41 17 5 3 4 4 36 56 31 7 2 1 2 3 1 1 4 17 12 4 3 3 1 1 3 3 1 1 9 100 81 10 2 3 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 2 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 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 73 72 dd 1H J 73 79 \| 71 71 m 3H \| 71 70 ddd 1H J 12 20 71 \| 64 63 dddd 2H J 12 22 77 139 \| 62 62 t 1H J 22 \| 60 59 t 1H J 70 \| 48 47 dq 1H J 36 81 \| 45 44 m 3H \| 38 38 ddq 1H J 25 74 122 \| 36 36 s 2H \| 36 35 ddq 1H J 24 73 120	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(C)CO)cc1	ir: 3 2 1 2 2 1 1 1 2 1 1 2 4 6 6 5 4 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 0 0 1 0 0 0 1 1 2 1 2 3 7 2 6 26 22 7 1 3 6 1 1 1 3 2 2 5 1 2 3 4 4 3 2 2 2 2 3 1 2 3 4 3 3 4 4 5 8 35 40 23 63 100 6 5 29 73 14 4 2 2 2 2 2 2 1 3 1 5 3 2 1 1 2 1 2 2 1 1 1 1 1 2 3 3 2 3 7 5 3 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 1 2 2 2 11 36 9 3 3 2 2 1 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 3 6 4 4 21 86 13 5 3 2 5 5 19 28 21 2 1 1 1 0 1 1 0 1 1 0 0 0 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 2H \| 71 70 m 2H \| 39 38 ddd 1H J 50 61 114 \| 36 35 ddd 1H J 50 61 116 \| 30 29 dtd 1H J 52 72 124 \| 26 26 t 1H J 61 \| 23 23 d 3H J 10 \| 13 13 d 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(Nc3cnc(C=O)nc3)ncnc2cc1OCCCCl	ir: 3 2 3 3 2 3 4 2 3 3 1 7 3 3 3 7 23 15 3 3 5 11 6 9 6 19 40 29 14 8 12 4 6 6 9 11 25 13 4 7 6 7 3 3 12 6 5 5 4 6 31 3 6 12 4 3 1 1 2 2 2 2 3 4 4 4 4 8 16 4 12 1 2 3 2 1 2 1 2 1 1 2 3 7 7 3 2 2 3 2 1 1 2 1 1 1 2 2 2 13 3 2 8 2 11 9 12 36 4 4 2 2 2 3 4 2 5 5 19 10 15 5 4 2 2 6 4 4 3 2 2 2 2 2 1 3 3 1 0 11 58 66 7 24 32 24 100 29 5 4 3 6 2 7 12 7 24 74 7 0 2 6 4 2 3 4 3 23 8 2 2 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 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 2 3 2 2 2 2 2 2 1 3 6 6 5 10 29 13 2 2 3 1 1 1 2 2 2 2 2 1 1 2 3 2 1 4 3 10 7 11 26 77 31 7 4 3 3 2 2 2 2 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 96 s 1H \| 92 92 s 1H \| 89 89 s 2H \| 87 86 s 1H \| 77 76 s 1H \| 73 73 s 1H \| 41 41 t 2H J 50 \| 39 38 s 3H \| 38 37 t 2H J 38 \| 22 21 tt 2H J 38 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C2(c3cccc(C)c3)C=CC(=O)CC2)c1	ir: 1 1 2 4 4 3 1 2 2 6 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 3 1 1 1 3 6 6 17 3 3 1 1 1 1 0 1 9 4 6 1 3 21 33 24 1 4 6 2 2 1 2 2 0 9 6 3 1 2 3 2 4 4 7 3 2 2 9 8 1 3 2 1 2 2 2 3 4 3 2 1 1 1 5 12 5 5 9 2 8 3 2 1 2 1 2 4 5 2 2 3 2 0 1 2 1 1 1 2 7 7 3 4 2 2 4 5 2 1 1 2 4 6 7 4 5 5 2 1 4 9 2 3 3 3 6 8 23 5 15 17 15 4 2 1 2 2 1 2 4 4 10 2 0 14 19 3 2 5 10 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 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 3 1 1 2 3 3 2 2 2 2 5 5 4 14 8 37 100 44 12 3 4 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 t 2H J 76 \| 72 71 m 2H \| 71 71 ttd 4H J 13 21 29 \| 69 69 dt 1H J 9 88 \| 59 58 dt 1H J 9 90 \| 27 26 ddd 2H J 8 58 77 \| 24 23 d 5H J 7 \| 23 22 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NNc1nc2nonc2nc1Nc1ccc(F)c(Cl)c1	ir: 5 3 2 5 3 2 1 2 3 6 7 2 23 10 0 4 10 9 29 95 14 7 2 3 1 1 2 5 9 14 18 6 5 50 22 19 10 18 33 25 9 16 11 53 14 4 3 3 4 2 3 2 4 10 27 38 2 2 2 3 1 0 3 2 1 1 2 3 8 9 3 2 1 1 2 2 1 0 3 2 1 1 2 6 4 1 1 1 1 1 3 4 2 2 3 2 7 3 2 1 2 1 2 3 3 17 16 4 1 2 5 13 2 2 4 1 1 3 4 3 2 2 3 3 3 4 13 13 17 15 9 5 1 2 2 1 0 5 8 12 100 36 72 10 8 2 2 4 9 14 13 3 2 2 4 4 7 15 2 2 1 2 2 3 15 4 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 3 1 0 1 2 1 0 1 2 1 1 1 4 10 0 2 13 12 6 2 2 2 1 2 2 2 2 2 2 1 1 1 2 2 2 5 5 3 6 41 90 85 21 39 40 6 1 2 1 1 1 2 1 2 2 2 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 92 92 s 1H \| 91 90 d 1H J 59 \| 78 77 dd 1H J 22 33 \| 75 74 ddd 1H J 22 37 79 \| 72 71 dd 1H J 78 102 \| 14 14 s 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccccc1)Nc1cccc2cnccc12	ir: 0 1 2 4 5 1 1 1 1 3 2 1 11 6 2 0 1 4 3 7 8 3 2 2 4 5 6 10 7 3 3 4 2 2 2 2 5 1 4 13 38 41 16 4 5 6 18 15 5 3 5 3 4 5 2 0 1 1 1 0 1 1 0 0 1 1 1 4 6 6 1 2 1 4 6 4 2 14 12 16 14 2 2 1 1 1 1 5 4 7 1 1 1 1 4 2 1 2 3 1 2 15 1 1 1 3 1 1 1 2 3 2 8 2 2 2 1 1 0 2 2 2 3 1 1 1 0 1 1 1 1 1 2 2 14 18 3 1 7 6 18 12 8 16 5 4 4 7 21 6 37 100 11 4 4 1 0 1 1 3 9 2 1 1 1 0 3 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 2 2 1 1 1 1 1 2 1 1 5 15 18 38 30 2 2 2 1 4 3 1 1 1 1 1 1 1 1 0 1 1 4 3 4 7 9 63 73 5 3 4 2 1 1 1 0 0 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 t 1H J 17 \| 86 86 dd 1H J 14 45 \| 82 82 s 1H \| 78 78 d 1H J 44 \| 78 77 dt 1H J 16 84 \| 74 74 t 1H J 82 \| 74 72 m 4H \| 73 73 s 3H \| 70 69 t 1H J 52 \| 42 41 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nccc(Oc3cc4cncnc4cc3C)c2cc1OC	ir: 2 3 3 5 4 5 3 4 3 2 3 3 4 4 4 3 9 11 11 9 17 7 7 6 5 3 6 7 7 13 7 11 4 5 4 3 3 2 2 4 14 7 4 6 6 12 7 4 17 7 20 9 17 1 18 48 62 5 4 3 4 5 3 2 6 6 10 0 60 26 14 20 14 27 16 5 4 2 5 4 4 2 2 5 6 4 3 3 2 2 2 3 9 15 8 3 6 27 17 34 19 5 6 4 4 6 4 3 2 5 8 7 53 7 14 9 9 9 5 3 3 3 2 4 6 5 5 4 4 3 2 3 7 3 2 2 2 5 3 2 3 2 7 15 5 3 4 19 35 7 10 18 12 8 14 100 48 9 12 77 3 5 3 1 2 4 8 64 30 5 3 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 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 3 2 3 3 2 1 2 3 2 2 3 4 3 4 7 7 7 8 19 91 41 19 3 4 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: 92 92 d 1H J 16 \| 91 91 t 1H J 17 \| 86 86 d 1H J 49 \| 77 77 m 1H \| 77 76 s 1H \| 74 74 s 1H \| 73 73 d 1H J 17 \| 69 69 d 1H J 49 \| 39 39 s 3H \| 39 38 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.
CSc1ccc(C=Cc2ccc(Br)cc2)cc1	ir: 6 6 6 6 6 6 6 7 7 7 6 7 7 7 54 17 7 7 7 6 6 6 6 6 6 6 8 8 7 7 7 7 8 11 8 7 7 7 7 7 6 7 6 6 6 6 6 7 7 7 9 12 53 46 75 33 51 19 12 11 7 8 7 7 7 7 7 8 15 12 8 9 8 9 35 21 16 10 6 6 8 9 8 6 7 8 10 9 8 8 6 6 9 8 8 19 26 15 6 6 11 9 0 57 0 5 10 8 6 13 12 10 7 7 9 11 12 8 7 8 14 11 17 30 7 8 8 8 6 7 7 7 8 8 9 9 8 7 7 8 7 8 9 11 8 15 48 13 14 13 13 9 12 15 8 6 7 7 7 6 6 9 7 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 7 7 6 7 8 7 7 6 7 7 6 7 11 7 6 7 9 8 6 9 15 18 27 39 100 68 61 69 49 20 14 11 10 8 9 7 7 7 8 6 6 7 7 6 6 7 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 75 74 m 4H \| 74 73 m 2H \| 73 72 m 2H \| 71 70 s 2H \| 25 25 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OCC#CCCCCCOC1CCCCO1	ir: 21 6 3 7 8 25 7 6 3 1 1 2 2 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 4 3 2 2 1 3 4 9 4 3 4 4 8 6 3 4 2 2 1 2 4 1 3 5 5 8 7 5 7 18 22 2 3 3 3 5 4 4 8 14 35 31 23 39 61 100 17 14 8 8 22 13 12 4 2 3 3 3 10 19 78 8 4 1 3 2 0 2 3 1 3 3 15 19 23 29 7 8 10 10 3 4 4 6 9 4 6 5 4 6 14 17 17 11 13 4 2 3 2 1 3 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 6 6 13 5 3 10 8 4 5 4 3 5 4 7 15 44 19 41 24 8 6 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 47 46 t 2H J 25 \| 46 45 t 1H J 34 \| 37 36 m 2H \| 36 35 m 1H \| 34 34 dt 1H J 62 114 \| 32 32 s 2H \| 23 22 tt 2H J 25 61 \| 18 16 m 3H \| 16 15 m 2H \| 16 15 m 2H \| 15 15 m 2H \| 15 14 dd 1H J 8 61 \| 15 14 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCc1cc(OC)cc(C(C)(C)C)c1O	ir: 2 2 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 1 1 1 0 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 2 2 3 1 4 6 3 3 1 2 2 3 1 1 1 1 1 1 1 3 5 16 3 2 0 0 1 3 2 3 1 1 1 1 0 1 1 1 2 1 2 1 1 3 2 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 0 0 0 0 0 1 1 1 1 1 1 1 2 5 1 1 4 5 1 0 0 0 0 0 4 1 1 0 0 0 0 0 0 1 1 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 1 5 1 3 4 2 4 5 8 3 3 2 1 1 3 3 100 38 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 68 68 d 1H J 22 \| 66 65 dt 1H J 9 20 \| 59 58 ddt 1H J 78 101 168 \| 55 54 s 1H \| 51 50 m 1H \| 50 49 m 1H \| 39 38 s 3H \| 33 33 m 2H \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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