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Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
CCC(C)(C)c1cc(-c2ccc(C=C3SC(=O)NC3=O)cn2)ccc1O	ir: 1 1 1 2 1 1 2 1 1 1 1 1 1 1 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 9 2 1 1 1 1 1 1 1 9 12 4 1 2 3 7 6 1 1 1 1 0 1 1 1 1 1 1 3 1 1 2 1 2 1 1 1 1 1 1 2 6 4 5 5 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 0 1 1 1 0 2 5 2 1 1 1 1 1 1 1 1 0 1 1 1 2 2 2 3 2 2 2 4 6 3 2 1 1 1 1 1 0 1 1 1 1 7 1 1 1 6 7 2 1 1 2 2 1 5 2 2 1 3 1 1 1 80 2 2 1 3 1 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 3 2 4 3 4 3 3 1 2 1 1 3 100 12 3 1 1 1 0 1 1 0 0 1 1 1 0 2 92 7 2 0 2 1 1 0 0 1 1 1 2 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 89 88 s 1H \| 88 88 d 1H J 17 \| 79 79 m 2H \| 78 77 s 1H \| 77 76 m 2H \| 68 68 m 1H \| 50 49 s 1H \| 18 17 q 2H J 81 \| 13 13 s 5H \| 7 7 t 3H J 81	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(=O)c1ccc(SCCOc2ccc3ccccc3c2)cc1	ir: 2 1 1 1 1 1 2 1 5 1 6 16 6 21 12 10 4 8 10 26 40 15 31 13 4 3 5 1 3 7 2 2 1 1 3 1 8 16 28 7 4 8 42 7 2 1 1 2 1 1 2 2 2 4 20 7 14 4 4 4 15 7 2 2 8 3 3 5 12 7 3 1 2 2 4 22 5 6 26 15 12 8 4 16 5 5 2 5 3 4 1 2 3 20 12 16 6 4 4 2 2 3 3 4 14 4 3 5 5 7 1 2 2 2 4 4 3 3 7 2 2 1 2 4 20 3 5 1 1 1 2 2 7 10 17 13 20 7 3 6 2 4 2 4 5 9 9 17 9 12 7 5 9 4 3 4 4 8 4 2 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 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 1 0 0 1 2 1 2 1 1 1 1 3 1 3 2 4 18 11 40 100 46 12 8 3 2 2 3 3 51 17 6 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H \| 77 77 m 2H \| 76 76 dt 1H J 19 79 \| 76 74 m 4H \| 70 70 m 2H \| 43 42 t 2H J 49 \| 32 32 t 2H J 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C1CCCC1)N1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1	ir: 6 4 7 7 11 12 10 3 22 6 7 2 1 3 2 3 3 3 12 4 8 15 0 2 26 9 8 2 4 2 2 4 23 13 13 11 7 9 7 48 15 6 14 15 12 12 3 2 6 86 60 49 20 5 5 11 17 2 2 1 1 0 3 2 1 10 5 6 8 5 13 11 8 8 23 22 8 4 4 3 3 16 7 6 28 6 4 2 2 2 20 14 6 9 11 7 16 5 3 25 7 5 5 3 4 3 8 9 12 20 27 15 18 30 17 20 3 13 21 12 15 29 43 13 24 17 8 8 35 8 7 6 8 9 2 3 6 4 8 7 19 76 19 9 13 10 19 47 18 26 42 3 1 8 3 2 2 2 1 2 3 31 11 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 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 3 2 1 2 1 2 1 2 5 5 7 7 3 12 10 5 8 8 3 5 12 28 46 36 100 19 12 9 4 2 3 1 1 2 2 2 1 1 2 2 1 1 2 1 1 4 7 6 29 69 19 3 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 dd 1H J 16 79 \| 78 76 m 4H \| 73 73 dddd 1H J 10 21 36 80 \| 72 71 ddd 1H J 41 79 102 \| 40 40 t 2H J 8 \| 37 36 m 4H \| 32 32 p 1H J 52 \| 29 28 ddd 4H J 53 61 116 \| 20 18 m 2H \| 18 16 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC1CCCc2ccc(C)nc21	ir: 2 1 0 1 3 1 0 4 1 1 0 2 1 1 5 2 2 3 1 2 3 1 1 1 2 1 2 7 14 9 1 7 6 23 100 4 9 3 5 12 4 11 1 2 1 1 1 5 2 4 5 5 18 8 8 4 2 1 1 2 1 1 1 1 2 4 4 3 8 10 5 3 3 2 1 2 2 2 2 1 1 1 1 1 1 2 1 2 3 1 1 2 1 1 4 11 1 1 2 2 1 1 1 2 1 5 2 2 2 2 4 12 15 5 2 2 1 3 4 7 5 5 4 7 3 1 5 3 3 1 1 2 1 2 1 3 20 16 3 2 3 2 8 18 66 18 18 10 8 3 5 15 3 2 1 0 1 6 9 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 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 4 1 1 2 2 3 4 4 3 4 6 2 3 11 4 1 14 20 10 4 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 4 8 10 7 31 23 6 3 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 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 dt 1H J 9 79 \| 71 70 dq 1H J 9 79 \| 70 69 d 1H J 79 \| 49 48 dt 1H J 47 79 \| 29 28 m 2H \| 25 25 d 3H J 7 \| 23 22 m 1H \| 21 18 m 3H \| 20 19 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(Br)c(OC(F)(F)F)c1)N1CCN(C2CCNCC2)CC1	ir: 7 9 12 8 8 7 6 6 6 8 7 6 6 6 7 6 6 7 8 7 7 7 9 8 6 7 8 6 7 8 7 8 6 7 7 8 7 10 10 9 9 10 22 14 7 14 6 7 11 26 10 11 10 7 24 9 9 6 7 6 7 6 8 5 6 7 6 6 11 13 10 6 6 7 6 5 7 7 6 5 6 8 8 21 10 7 7 5 8 6 7 6 9 23 9 5 11 10 0 61 59 23 37 19 10 8 14 9 7 7 10 22 12 9 14 13 17 11 9 7 6 7 8 6 5 7 7 7 12 19 9 6 7 7 6 6 7 10 7 7 7 6 6 6 8 9 6 7 15 7 18 15 24 11 9 19 7 6 6 6 6 6 11 9 7 7 6 6 5 6 6 6 6 6 6 5 6 6 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 6 5 5 5 5 5 5 5 5 6 6 6 6 5 5 5 6 5 5 6 6 5 5 5 5 5 5 5 5 6 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 6 6 6 6 6 6 6 6 7 8 7 6 6 6 6 6 6 9 11 10 12 23 19 7 6 7 6 6 6 6 6 6 7 6 6 6 8 9 6 9 18 100 13 10 11 13 15 17 8 6 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 6 6 5 5 5 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; 1HNMR: 83 82 s 1H \| 76 75 d 1H J 81 \| 75 74 dd 1H J 21 81 \| 73 73 d 1H J 22 \| 34 34 m 4H \| 31 31 p 1H J 42 \| 30 29 dddd 2H J 30 42 57 132 \| 28 27 m 6H \| 25 25 p 1H J 59 \| 19 19 dtd 2H J 30 59 126 \| 17 16 dtd 2H J 31 59 126	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC1(S(=O)(=O)Nc2cc3snnc3c(F)c2Nc2ccc(Br)cc2Cl)CC1	ir: 2 3 1 4 3 2 3 3 2 2 4 2 3 9 1 5 2 2 2 3 2 2 2 2 1 4 7 2 2 2 10 2 2 5 3 2 4 2 3 6 5 5 2 6 3 1 1 2 5 6 4 2 3 6 2 7 3 2 1 1 2 2 2 2 1 2 8 7 5 9 4 2 3 2 2 3 4 2 2 2 1 1 1 5 1 4 5 40 3 2 1 1 2 1 1 1 3 3 2 1 1 2 8 3 1 3 13 7 4 2 1 1 2 2 2 2 2 1 1 1 4 5 4 5 3 2 1 1 20 4 1 1 1 1 1 1 2 2 3 3 2 4 4 1 1 1 2 9 2 5 1 3 4 9 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 2 2 2 2 6 7 6 3 6 3 2 1 2 2 1 1 1 1 1 2 1 1 1 1 2 2 1 3 3 4 13 2 100 19 5 3 0 1 2 2 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 s 1H \| 78 78 s 1H \| 76 75 d 1H J 21 \| 74 74 d 1H J 40 \| 74 73 dd 1H J 22 81 \| 71 71 d 1H J 81 \| 58 57 ddt 1H J 72 110 165 \| 52 51 dq 1H J 13 163 \| 50 50 dq 1H J 13 110 \| 23 23 dt 2H J 14 71 \| 21 20 m 2H \| 18 17 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2ccc3c(c2)C(C)(C)CN3)cn1	ir: 20 13 10 8 5 5 2 14 12 16 20 10 8 11 3 5 7 3 6 7 3 5 5 3 3 4 3 2 2 3 2 1 2 3 3 2 4 4 6 2 3 2 1 1 2 2 3 1 2 2 1 4 6 27 28 22 13 8 4 2 6 7 13 5 12 18 25 11 8 5 2 1 3 3 3 6 36 16 2 1 2 2 1 1 2 4 2 1 12 48 56 6 5 5 0 2 4 2 1 2 4 2 3 5 10 20 4 2 4 2 1 3 3 2 2 2 3 11 23 19 12 22 9 7 8 4 3 8 15 16 20 31 27 21 16 18 23 97 44 8 6 5 11 40 3 1 2 3 8 31 16 75 9 19 7 12 11 6 4 3 2 0 2 3 10 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 3 1 1 3 2 1 2 3 3 6 5 5 12 16 19 14 13 33 35 13 22 30 18 14 6 3 3 3 2 1 3 3 2 3 3 5 5 6 33 56 38 100 50 30 21 33 25 12 9 8 6 4 1 1 2 1 1 1 2 1 2 2 2 2 1 3 3 2 1 1 2 2 1 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 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; 1HNMR: 82 81 s 1H \| 78 77 s 1H \| 75 74 m 2H \| 68 68 d 1H J 75 \| 40 40 t 1H J 33 \| 39 39 s 3H \| 36 35 d 2H J 33 \| 13 13 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)NCCc1ccc2cc(OCCN)ccc2c1	ir: 4 1 3 12 2 1 1 0 0 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 1 2 4 2 2 4 3 4 2 1 1 16 12 1 1 3 2 12 22 5 6 4 2 5 4 2 6 5 8 34 10 6 2 1 0 1 1 1 1 4 2 1 1 1 0 2 28 1 1 2 2 1 1 1 1 3 1 1 2 5 5 15 20 35 11 4 4 2 2 0 0 1 1 1 0 1 1 1 2 3 1 2 6 4 5 4 1 2 1 4 2 4 4 1 2 0 0 0 0 0 0 1 3 3 0 0 0 0 0 0 0 0 0 1 3 5 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 3 1 1 1 1 0 0 0 1 0 0 1 1 2 1 3 5 14 11 4 1 0 1 1 1 0 1 1 0 1 1 4 4 3 5 6 3 10 78 100 29 15 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 1H \| 77 77 dd 1H J 19 82 \| 75 75 dt 1H J 12 34 \| 73 72 m 1H \| 70 69 m 2H \| 51 51 t 1H J 68 \| 41 41 t 2H J 41 \| 32 32 dt 2H J 59 68 \| 32 31 tt 2H J 41 69 \| 29 29 dt 2H J 9 58 \| 29 28 s 3H \| 18 17 t 2H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1COCCN1c1nc2c(c(-c3ccc(NC(=O)NC4CC4)cc3)n1)CN(C(=O)CN(C)C)C2	ir: 2 3 2 3 2 2 2 2 5 2 5 3 3 2 2 2 7 3 2 3 3 6 2 3 7 8 7 3 2 5 10 6 3 3 3 4 3 4 9 9 19 28 15 4 6 3 5 4 3 2 4 7 27 28 14 35 21 6 7 2 3 5 2 6 2 3 2 3 5 4 2 1 3 2 3 5 2 2 2 1 2 4 1 1 2 2 2 9 9 4 2 3 13 5 6 3 3 5 7 6 4 3 2 5 9 7 4 5 9 3 1 3 2 2 0 1 2 2 3 5 4 3 4 2 9 7 6 5 8 6 3 3 3 4 2 11 14 11 3 3 3 1 2 19 5 14 6 54 100 36 15 24 55 13 12 2 2 2 1 0 1 2 6 22 3 3 2 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 4 2 17 3 13 8 10 3 5 5 3 1 2 1 1 1 1 1 1 1 2 1 1 2 2 2 2 15 47 41 16 3 4 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 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; 1HNMR: 77 77 m 3H \| 76 76 m 2H \| 69 68 d 1H J 73 \| 47 47 d 1H J 143 \| 46 46 m 3H \| 40 39 m 3H \| 39 38 m 2H \| 39 38 m 2H \| 37 37 dd 1H J 64 101 \| 34 34 s 2H \| 29 28 dp 1H J 46 73 \| 25 25 s 5H \| 14 13 d 3H J 89 \| 10 9 m 2H \| 7 7 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(COc2ccc(C=O)c(O)c2Cl)cccc1-c1ccccc1	ir: 23 7 3 4 2 1 2 1 1 1 2 3 4 6 2 2 5 3 1 1 1 1 3 1 1 1 1 2 1 1 4 7 1 1 1 2 2 3 2 3 5 23 7 6 3 2 5 18 7 1 2 2 6 15 16 5 3 6 9 2 1 0 3 4 4 1 1 2 7 2 2 1 2 1 1 1 1 1 2 1 1 1 1 5 8 9 45 36 7 8 13 2 4 1 1 5 1 1 1 1 0 1 1 1 7 2 3 2 4 6 2 2 3 1 2 1 0 1 1 1 1 1 1 1 0 1 1 2 16 3 2 1 2 3 11 4 2 4 11 13 4 2 3 3 1 8 2 4 3 4 8 3 0 2 1 3 4 4 1 0 6 10 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 16 33 15 11 6 5 3 1 5 100 72 2 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 77 76 m 2H \| 74 73 m 7H \| 73 72 dq 1H J 10 79 \| 69 68 d 1H J 86 \| 52 52 d 2H J 9 \| 23 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC2CC2)C1	ir: 3 5 3 7 19 14 4 5 10 33 21 55 7 3 1 3 3 4 2 2 4 2 7 12 13 12 12 9 4 5 6 9 9 14 17 42 20 21 30 34 36 7 5 3 4 2 3 3 2 1 2 2 1 1 1 1 2 1 2 2 3 2 4 3 4 3 2 3 2 1 3 3 6 3 2 2 1 1 1 1 1 1 2 3 2 2 4 3 3 2 5 4 3 4 4 3 3 2 1 2 14 9 5 11 5 4 9 8 23 33 17 7 3 4 18 28 10 15 4 4 8 6 4 7 5 7 10 20 11 12 21 16 16 21 6 9 16 61 46 46 16 15 7 12 14 54 100 7 9 8 62 20 17 8 4 2 3 2 1 0 1 2 7 1 2 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 2 3 3 4 2 3 2 7 4 5 6 11 10 12 26 47 16 12 4 4 5 9 8 2 2 2 1 1 1 2 1 1 2 3 4 3 5 5 4 20 43 46 38 45 8 11 6 2 2 3 3 2 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 68 68 d 1H J 73 \| 38 38 m 1H \| 37 35 m 4H \| 30 29 m 2H \| 22 21 dddd 1H J 33 56 73 132 \| 20 19 ddt 1H J 53 73 129 \| 15 14 s 7H \| 9 9 m 2H \| 7 6 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1c(N)nc(N2CCCC2)nc1-c1ccc(Cl)cc1Cl	ir: 4 3 2 3 2 6 4 2 6 3 6 4 9 11 7 5 4 3 2 3 3 4 5 4 5 9 5 4 3 7 6 6 3 5 3 5 5 5 13 5 13 9 45 16 5 8 7 5 4 6 16 15 7 4 13 6 9 10 3 3 5 14 4 4 2 3 6 10 3 4 5 6 4 14 12 13 14 3 2 4 11 4 3 3 3 2 2 3 6 4 4 3 4 3 2 4 2 4 2 2 2 2 2 2 2 3 3 5 3 3 2 2 3 2 3 4 1 9 4 4 14 5 3 2 2 5 3 2 2 3 5 8 33 4 4 9 15 4 3 18 4 3 4 12 15 9 5 35 8 8 9 100 36 41 5 3 2 3 3 2 10 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 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 2 2 2 2 2 2 3 3 2 2 2 2 1 2 5 3 3 5 29 4 3 2 3 2 2 2 2 3 3 2 3 5 4 21 9 7 12 25 4 5 21 10 2 2 2 2 3 0 46 23 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 2 1 2 2 1 1 2 2 2 2 2 2 1 1 1 1 2 1 2 1 2 1 1 1 2 2 1 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; 1HNMR: 76 75 d 1H J 90 \| 75 75 d 1H J 21 \| 74 73 dd 1H J 22 90 \| 54 53 s 2H \| 46 46 t 2H J 76 \| 38 37 m 2H \| 37 37 s 2H \| 21 21 m 2H \| 20 20 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)cc(OCC2CNC(=O)O2)c1	ir: 4 4 0 4 5 6 9 11 8 8 9 41 98 62 23 45 19 6 7 4 3 4 22 9 8 4 5 4 4 9 3 4 3 2 3 3 2 1 2 3 3 1 3 4 7 6 3 4 3 2 3 3 3 5 7 4 2 1 3 4 15 9 5 7 6 4 7 25 6 6 13 12 19 16 12 11 1 1 5 4 1 1 3 3 2 2 3 3 3 3 5 5 3 7 21 6 9 8 5 3 3 3 3 5 5 8 8 3 4 3 4 3 2 5 5 4 9 47 10 5 2 12 25 10 13 8 9 10 28 25 17 5 4 4 3 2 2 3 3 2 2 3 3 2 2 2 2 2 3 3 4 8 7 10 86 100 8 7 6 8 29 18 4 1 2 4 2 0 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 2 1 3 2 1 1 3 2 2 2 3 3 2 2 3 3 2 3 5 3 4 8 8 5 3 4 5 6 12 16 12 16 21 70 43 16 7 8 7 7 4 4 4 3 3 3 3 2 4 6 8 3 2 3 4 3 2 4 67 16 7 3 5 4 2 3 3 2 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 68 68 q 1H J 18 \| 66 66 d 2H J 21 \| 60 60 t 1H J 47 \| 50 50 tt 1H J 27 33 \| 44 43 dd 1H J 34 131 \| 42 41 dd 1H J 34 131 \| 37 37 ddd 1H J 26 48 130 \| 35 34 ddd 1H J 26 46 130 \| 23 23 s 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(O)c1coc2ccccc12	ir: 1 5 2 2 2 5 2 1 1 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 1 1 1 1 1 1 1 2 2 45 8 1 1 1 1 1 1 1 1 1 1 2 1 3 5 2 1 1 1 1 1 1 1 1 3 2 1 1 10 3 3 8 2 2 1 1 1 2 2 1 1 11 5 5 12 9 3 2 1 1 1 1 2 1 1 1 1 1 1 1 3 3 1 1 1 3 3 1 2 2 1 1 1 1 1 5 7 4 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 1 1 0 13 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 2 1 2 1 3 4 1 2 12 10 3 12 7 1 0 10 100 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 m 1H \| 75 75 m 1H \| 73 72 m 2H \| 72 71 d 1H J 6 \| 49 49 m 1H \| 33 33 d 1H J 57 \| 20 19 dqd 1H J 53 76 129 \| 17 16 dqd 1H J 53 75 130 \| 10 10 td 3H J 15 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(C(F)(F)F)cc1)N1CC2CCc3cc(Cl)ccc3C2=N1	ir: 9 7 6 4 4 6 7 4 2 3 5 4 1 5 11 20 7 15 6 4 3 6 12 13 16 9 4 1 6 4 5 3 3 6 3 2 4 7 3 10 25 83 32 1 4 6 4 3 16 12 25 5 7 12 17 15 100 6 7 4 4 4 2 0 5 7 37 9 4 10 8 2 4 4 2 1 4 5 2 1 3 4 1 2 8 11 25 9 5 3 4 2 6 10 4 7 16 8 8 37 24 13 4 4 14 6 11 3 5 6 3 4 96 8 1 5 5 4 6 6 5 3 3 7 10 25 3 27 10 8 2 7 3 2 3 3 6 20 2 4 3 1 1 4 8 2 4 9 9 4 12 36 46 82 14 2 4 2 3 2 2 13 4 11 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 2 1 3 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 2 2 4 3 3 5 4 3 1 5 6 3 10 11 11 16 80 15 20 6 4 5 7 3 1 2 3 2 2 3 3 2 1 3 3 2 2 3 7 41 81 11 9 8 3 3 4 1 2 4 3 1 1 3 2 1 2 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 90 90 s 1H \| 78 78 m 2H \| 77 76 m 3H \| 73 73 dd 1H J 24 82 \| 72 71 dt 1H J 8 26 \| 43 43 dd 1H J 47 105 \| 41 40 dd 1H J 47 105 \| 36 36 p 1H J 49 \| 30 29 dddd 1H J 9 57 84 148 \| 28 28 m 1H \| 22 21 ddt 1H J 54 84 125 \| 19 18 ddt 1H J 54 82 125	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(O)(c2cc3cccc(F)c3o2)CC1	ir: 5 6 13 8 12 19 8 7 5 3 21 12 1 6 5 7 7 8 4 7 4 3 5 1 1 1 1 1 2 1 3 2 2 1 1 6 6 4 4 2 1 3 4 3 2 0 4 13 46 16 4 1 2 4 2 3 2 3 2 2 8 3 4 6 2 2 1 1 2 5 10 17 3 1 1 5 1 1 2 2 2 4 5 50 5 9 2 3 10 31 18 17 6 4 3 2 1 4 2 2 1 2 2 5 5 4 12 7 20 5 7 29 7 3 10 6 15 9 19 15 3 5 10 9 19 5 6 10 11 7 3 17 4 9 9 12 9 6 13 24 5 1 1 1 1 2 2 2 1 9 2 38 4 1 1 1 2 2 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 3 4 2 2 1 8 3 3 2 1 2 2 6 8 26 18 16 21 9 54 12 3 3 0 5 100 9 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 ddd 1H J 13 22 88 \| 73 72 m 2H \| 68 68 d 1H J 22 \| 42 42 s 1H \| 38 37 ddd 2H J 37 64 126 \| 35 34 ddd 2H J 36 63 126 \| 26 25 ddd 2H J 37 64 145 \| 23 22 ddd 2H J 37 64 145 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(CNC(=O)CC#N)Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21	ir: 2 3 3 1 1 1 2 2 3 1 5 2 2 1 1 2 2 2 2 2 2 4 3 2 2 3 6 2 2 2 2 3 2 4 4 5 2 4 8 36 17 13 12 12 6 2 2 1 2 1 1 1 1 2 5 16 12 6 2 4 1 3 2 3 1 1 1 2 2 1 1 2 2 1 1 1 1 1 2 1 1 1 0 0 2 1 1 1 1 1 1 1 1 1 1 1 2 8 1 5 1 1 0 0 0 0 0 0 0 0 1 1 1 0 1 4 4 2 1 2 2 1 1 1 3 2 5 3 2 2 2 1 1 1 1 3 1 3 9 11 2 2 2 17 6 7 25 9 3 16 9 9 10 9 16 5 3 3 14 3 1 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 3 1 0 1 1 1 2 1 3 7 6 13 49 9 7 2 0 0 1 0 0 0 0 0 0 0 0 0 1 3 26 7 1 3 3 5 8 3 2 1 1 3 14 100 4 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; 1HNMR: 84 83 s 1H \| 78 77 m 2H \| 74 73 m 2H \| 71 70 m 3H \| 70 70 m 2H \| 69 68 s 2H \| 66 65 t 1H J 32 \| 43 42 s 2H \| 36 36 s 2H \| 34 34 d 2H J 31 \| 11 10 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(C(F)(F)F)c2nc(CCC#Cc3ccccn3)oc12	ir: 5 7 2 4 3 2 4 13 2 3 8 4 4 2 1 1 1 2 5 5 5 12 5 2 1 1 1 1 2 8 8 3 6 1 2 9 13 19 6 6 6 10 16 4 2 8 3 1 1 1 1 0 1 13 24 77 4 3 2 2 2 1 6 3 1 28 1 1 1 1 9 4 1 0 1 1 1 1 1 1 3 7 11 2 1 0 1 1 0 1 1 2 5 9 4 1 2 6 10 18 6 3 3 4 6 2 3 3 16 4 3 1 1 7 2 4 2 40 11 2 2 3 4 15 9 3 5 7 2 4 2 2 2 20 29 33 5 18 15 5 2 2 2 0 0 12 4 2 12 3 2 0 0 8 35 7 100 2 2 5 4 0 1 2 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 3 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 5 2 1 2 2 2 1 1 3 2 7 29 10 13 77 35 2 3 4 2 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 85 85 dd 1H J 17 40 \| 77 77 td 1H J 17 64 \| 76 76 dtd 1H J 25 49 95 \| 75 74 dd 1H J 14 64 \| 73 73 ddd 1H J 14 40 62 \| 72 71 dd 1H J 91 101 \| 31 30 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)C1C(=O)OC(C)(C)OC1=O	ir: 7 7 5 2 3 1 1 1 1 5 3 7 4 2 2 4 2 2 2 3 11 2 2 1 1 1 3 4 3 6 6 17 8 6 5 4 6 5 2 1 7 28 3 3 2 1 1 2 1 1 2 5 1 2 3 3 21 2 2 1 1 2 2 2 1 2 1 2 3 3 6 2 1 1 1 1 1 1 3 1 1 1 1 1 2 1 1 2 1 7 2 1 1 1 1 2 2 2 2 6 1 3 14 9 4 3 4 1 0 2 2 1 0 2 4 2 3 4 5 6 4 3 6 2 2 5 8 11 22 31 10 6 3 2 3 10 1 2 6 3 27 16 15 15 5 100 26 17 12 24 2 4 5 1 1 2 1 1 1 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 3 3 1 1 1 1 1 1 2 2 5 5 3 10 18 7 10 41 11 5 4 3 3 2 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 12 40 8 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 76 75 m 5H \| 75 74 m 2H \| 74 73 ddt 1H J 14 64 81 \| 72 72 dp 2H J 9 81 \| 58 58 d 1H J 82 \| 49 48 dt 1H J 69 82 \| 43 43 s 1H \| 33 32 ddt 1H J 9 70 141 \| 30 30 ddt 1H J 9 69 141 \| 18 17 s 5H \| 14 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nnc(-c2ccnc(-c3cn(Cc4ccccc4Cl)cn3)c2)n1	ir: 1 2 4 1 4 1 1 2 2 1 1 1 1 1 0 1 1 1 0 1 8 4 5 2 1 1 1 2 1 5 4 2 1 1 1 1 1 4 21 8 8 15 100 8 3 3 2 4 2 1 1 2 1 1 2 2 1 1 3 2 1 1 26 59 1 10 2 3 2 1 1 3 1 3 5 7 1 1 1 3 3 6 18 2 2 7 2 8 3 13 5 1 6 4 2 7 8 5 5 23 5 2 4 6 2 2 4 8 6 3 19 9 10 14 10 3 4 2 3 2 4 5 6 2 3 6 2 4 6 2 3 2 1 4 5 2 24 12 3 4 4 23 3 2 1 1 2 8 9 7 1 1 11 4 2 0 1 2 3 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 2 1 1 0 1 1 1 0 1 2 4 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 8 3 1 1 0 2 1 3 2 2 3 5 3 7 10 8 13 30 84 69 49 7 5 3 1 2 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 89 89 d 1H J 54 \| 86 85 d 1H J 22 \| 79 79 dd 1H J 22 53 \| 77 76 ddt 2H J 8 16 113 \| 73 73 m 1H \| 73 72 m 3H \| 55 54 q 2H J 8 \| 44 44 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(Nc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21	ir: 4 15 12 16 7 8 19 9 8 8 7 7 5 10 13 11 52 25 29 11 19 15 7 19 38 30 27 9 6 10 5 9 5 9 10 4 21 7 4 7 4 5 3 4 23 23 22 11 4 1 4 9 30 22 28 20 26 5 10 5 5 8 12 18 7 10 5 5 9 3 4 3 5 0 7 1 5 8 4 4 3 3 2 4 8 75 42 6 3 1 2 3 7 16 5 32 6 2 3 2 7 2 13 25 27 13 11 8 7 12 6 1 1 2 7 3 2 4 6 7 21 36 40 14 8 5 6 18 16 3 2 2 1 2 3 15 9 17 5 35 2 5 11 37 20 8 4 5 9 9 11 12 15 100 45 22 10 9 22 3 2 2 78 3 10 1 2 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 7 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 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 2 1 2 1 1 1 2 1 2 2 2 1 6 9 20 60 96 12 9 9 6 3 5 7 2 2 2 2 3 1 3 2 2 1 2 10 2 4 9 19 18 83 54 15 12 9 3 5 3 2 2 1 1 1 2 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 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 1 0; 1HNMR: 91 90 dd 1H J 16 40 \| 89 89 s 1H \| 83 83 dd 1H J 12 94 \| 82 82 dt 1H J 16 84 \| 80 80 dt 1H J 15 87 \| 79 79 s 1H \| 77 76 m 1H \| 76 76 m 2H \| 76 75 m 4H \| 75 74 d 1H J 21 \| 74 74 dd 1H J 22 82 \| 38 37 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nccc(Oc3cc4ccccc4nc3C)c2cc1OC	ir: 4 1 2 7 5 5 1 2 2 1 1 4 5 1 2 1 2 5 7 3 2 3 6 3 2 2 9 7 9 10 4 2 3 2 1 1 1 1 2 1 3 1 13 12 4 4 20 40 11 8 30 5 6 8 1 1 1 1 2 6 82 25 2 3 7 6 6 10 58 66 22 10 84 17 18 16 13 2 2 5 7 1 2 1 1 1 1 1 4 33 4 3 2 5 2 1 2 12 12 2 0 3 3 5 5 3 37 5 5 1 2 1 1 1 4 8 1 4 6 3 3 2 4 3 2 2 3 2 1 1 1 0 0 11 30 6 14 18 7 1 0 2 2 1 4 9 26 44 18 5 13 5 8 22 25 32 14 2 4 86 4 2 1 1 1 2 16 5 2 1 0 1 0 1 1 1 0 1 0 0 1 1 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 1 0 2 1 3 1 1 1 1 0 1 3 2 3 2 4 6 8 7 21 20 45 100 19 13 2 2 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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; 1HNMR: 85 85 d 1H J 49 \| 80 79 m 1H \| 77 76 m 3H \| 75 74 td 1H J 16 85 \| 74 74 d 1H J 22 \| 73 73 s 1H \| 69 69 d 1H J 49 \| 39 39 s 3H \| 39 38 s 3H \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1[nH]c2cc(Br)cc(Br)c2c1SC	ir: 1 3 2 1 0 1 2 1 1 2 4 4 1 1 2 1 1 1 2 1 1 1 3 5 11 13 5 1 1 2 2 2 3 14 2 2 1 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 3 4 5 1 2 1 0 3 38 6 1 1 3 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 16 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 1 2 100 4 2 7 5 2 4 6 3 7 3 7 3 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 1 1 1 1 1 6 1 26 1 1 1 1 1 1 6 1 1 0 1 1 2 0 1 1 7 3 3 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 2 2 1 1 2 1 0 2 2 1 1 1 2 2 1 1 2 2 2 29 7 4 10 10 3 1 1 1 1 1 0 3 1 1 1 1 1 2 0 1 1 1 1 1 1 1 0 2 17 30 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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: 93 93 s 1H \| 76 76 d 1H J 22 \| 75 75 d 1H J 22 \| 27 27 s 3H \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2cc3c(n2)CCCCC(Br)C3=O)cc1	ir: 3 3 1 1 3 2 1 2 1 2 2 1 2 1 1 2 1 2 1 0 1 2 1 2 1 1 2 1 1 1 1 1 1 2 2 1 2 2 4 4 2 1 7 10 2 3 2 4 5 9 4 5 5 5 9 18 6 3 4 2 4 5 2 7 3 3 4 2 6 10 1 1 2 1 1 0 1 0 1 1 0 0 0 0 0 1 1 4 9 1 1 1 2 1 2 2 3 5 1 11 1 1 1 1 1 1 2 1 1 1 1 4 2 2 3 4 1 3 5 2 3 5 3 1 3 7 5 6 3 3 1 1 2 2 0 2 1 0 0 1 1 2 7 9 6 3 3 9 20 54 6 2 15 0 1 1 1 1 0 1 1 2 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 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 1 0 0 2 2 4 3 2 2 1 7 1 2 15 10 6 13 100 7 6 12 19 2 1 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 t 1H J 9 \| 73 73 dp 2H J 9 71 \| 69 69 m 2H \| 54 54 q 2H J 8 \| 47 47 t 1H J 71 \| 38 38 s 2H \| 29 28 m 2H \| 22 21 m 1H \| 20 17 m 4H \| 17 16 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC1(COCCCl)COCCOCCNCCOCCO1	ir: 9 6 5 7 9 12 5 10 2 23 44 21 17 44 15 13 27 33 0 4 4 3 1 4 12 2 3 3 2 1 1 1 2 1 3 2 8 5 2 6 5 6 28 38 8 11 17 17 17 6 8 12 8 9 3 2 3 2 2 1 9 7 9 60 9 11 6 28 40 18 9 12 6 4 5 2 1 2 2 2 1 2 2 3 2 13 17 5 2 4 7 12 36 52 22 25 11 7 7 3 1 2 4 2 1 6 4 4 7 10 6 12 18 11 15 40 44 48 25 6 6 5 3 3 13 4 2 8 6 3 3 2 2 1 3 3 4 1 1 0 0 1 1 0 1 3 3 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 1 1 2 1 0 1 1 0 1 1 1 0 0 0 1 1 0 1 1 1 0 0 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 1 3 3 4 3 3 2 3 3 2 2 3 4 19 8 3 3 2 1 1 3 9 35 18 18 1 1 2 2 1 1 2 4 4 10 85 100 20 5 1 0 2 1 0 1 1 1 0 1 1 0 1 1 1 0 0 0 0 0 1 0 1 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 39 36 m 23H \| 32 32 p 1H J 50 \| 29 28 dt 4H J 42 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C#N)=C(C=CN(C)C)c1ccc(C)cc1	ir: 9 9 12 13 8 4 8 7 17 31 26 7 7 4 3 1 2 2 1 4 6 8 6 6 10 3 3 1 3 2 2 3 2 2 4 3 3 2 1 2 2 2 2 3 2 4 6 7 16 9 4 5 53 27 8 7 39 10 3 8 2 1 3 9 5 2 5 5 9 18 6 8 5 7 7 4 5 5 7 13 13 26 38 43 9 4 6 10 4 7 59 59 12 8 4 5 2 3 14 5 2 1 2 3 1 23 37 15 5 17 10 8 3 7 10 3 5 4 19 7 3 5 9 9 7 12 19 25 8 10 6 10 16 14 27 35 3 6 3 3 2 3 2 3 5 5 3 8 39 6 3 5 8 7 45 2 3 3 2 0 1 2 3 0 2 3 3 0 10 10 4 1 2 3 2 1 2 3 1 0 2 2 13 2 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 1 1 1 2 2 1 1 2 2 1 1 2 1 0 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 2 1 2 2 2 3 2 2 1 2 2 2 4 4 2 3 5 6 8 17 13 100 71 42 7 4 15 5 1 5 5 1 2 2 2 1 1 1 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 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 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: 77 76 dp 1H J 9 130 \| 76 75 m 2H \| 73 72 m 2H \| 69 68 d 1H J 130 \| 38 38 s 3H \| 29 29 d 6H J 10 \| 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.
CC(=O)NC1Cc2ccc(C(C)=O)cc2C1	ir: 3 1 1 1 2 2 0 2 3 1 1 1 3 1 1 3 3 1 1 5 11 5 2 6 7 2 1 5 10 9 21 46 30 39 9 5 2 1 1 1 1 1 1 1 1 0 1 1 1 0 2 2 2 10 8 5 2 11 6 2 1 1 5 4 3 2 6 5 5 1 3 4 1 7 6 8 4 1 2 2 0 1 1 2 1 1 3 3 3 3 3 2 3 10 2 2 1 1 2 1 1 1 2 1 1 1 3 3 1 6 5 3 3 2 2 1 0 2 5 4 4 7 7 10 11 20 20 6 5 3 3 3 0 1 2 1 1 2 4 5 7 11 5 31 29 72 100 21 10 4 14 3 1 1 2 1 0 1 1 0 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 2 2 2 2 2 0 2 3 4 3 4 5 4 2 3 5 15 16 5 18 18 4 2 4 2 1 1 1 1 0 1 1 1 1 1 1 1 1 4 3 12 45 19 12 11 10 11 4 2 1 2 2 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 77 m 2H \| 72 71 m 1H \| 67 67 d 1H J 77 \| 43 42 dp 1H J 49 77 \| 32 31 ddt 2H J 9 49 151 \| 29 28 m 2H \| 26 26 s 3H \| 20 19 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC=CCC1=C(C)CCC1=O	ir: 1 2 3 2 1 2 6 7 16 19 4 5 3 9 7 3 1 3 3 2 2 3 4 5 3 3 5 3 2 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 2 5 5 8 11 21 21 0 2 3 1 0 2 3 2 1 5 7 11 23 5 3 1 2 2 3 4 2 4 11 3 53 32 15 9 3 2 2 2 1 2 3 1 1 24 25 9 1 2 3 1 1 2 2 0 1 2 3 2 4 4 2 0 2 5 4 4 9 36 32 7 9 10 20 21 37 25 17 10 7 16 16 18 13 5 9 20 20 6 3 3 8 5 3 2 5 16 47 13 1 1 2 2 2 1 2 2 0 3 100 54 7 3 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 0 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 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 0 3 3 4 3 3 9 11 18 5 7 6 6 7 9 14 26 43 51 46 17 10 5 4 3 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 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 1 1 1 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: 56 55 dtt 1H J 13 55 157 \| 54 53 m 1H \| 30 30 ddp 2H J 11 20 53 \| 25 24 dd 2H J 51 66 \| 24 23 ddt 2H J 12 58 68 \| 21 20 m 2H \| 19 19 t 3H J 11 \| 10 9 td 3H J 10 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(NCCN(C)C)c1nc2oc(Br)cc2c(=O)n1Cc1ccccc1	ir: 7 3 3 3 5 5 7 5 6 5 13 12 6 5 3 5 5 3 5 6 5 3 3 7 4 5 8 12 8 4 4 4 4 3 4 5 4 18 20 17 13 7 5 15 12 2 7 16 9 22 71 55 91 100 13 12 5 6 5 5 5 3 10 22 23 11 7 6 18 8 8 15 15 7 6 15 15 6 8 6 5 4 4 7 6 4 9 18 7 9 5 18 12 5 5 4 4 6 11 14 25 7 5 4 4 5 4 12 17 15 10 16 6 6 10 17 19 11 20 16 12 7 18 10 10 13 9 6 7 7 17 14 24 48 16 11 13 11 5 6 10 11 9 6 11 12 8 13 13 8 7 2 3 17 65 73 7 0 6 43 67 3 3 4 3 2 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 4 4 4 6 5 5 5 6 7 5 9 12 20 43 43 14 9 5 5 8 6 5 4 6 5 5 3 3 5 6 5 7 11 39 61 33 9 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 76 75 s 1H \| 73 72 m 3H \| 72 72 ddq 2H J 8 17 70 \| 52 51 m 2H \| 41 40 dtq 1H J 15 49 79 \| 30 29 dt 1H J 39 82 \| 29 28 dtd 1H J 39 61 130 \| 27 26 m 3H \| 23 23 s 5H \| 20 19 dqd 1H J 50 70 120 \| 18 17 dqd 1H J 49 70 120 \| 10 9 td 3H J 15 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(Br)cc1OCC(C)C	ir: 3 2 2 2 0 3 1 3 1 2 2 4 3 2 1 0 2 5 1 1 1 1 1 3 1 1 0 0 0 0 0 0 3 1 1 1 1 1 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 2 10 9 1 3 1 3 4 1 1 1 1 3 3 3 3 19 2 1 1 0 3 2 2 2 1 1 1 0 0 0 0 0 0 1 2 0 0 0 0 1 0 0 1 0 0 0 1 2 1 1 1 1 1 2 4 9 5 5 2 1 1 1 1 8 3 3 3 2 4 9 8 15 0 2 1 1 1 1 1 0 1 2 8 1 1 1 1 0 0 1 1 0 1 7 1 0 1 14 5 44 7 4 1 1 1 0 1 7 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 1 1 0 0 0 0 0 1 1 1 2 2 2 4 10 13 7 100 16 3 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 d 1H J 87 \| 74 73 dd 1H J 22 86 \| 72 72 d 1H J 21 \| 39 39 s 3H \| 39 38 d 2H J 49 \| 20 19 dtt 1H J 50 71 143 \| 10 10 d 6H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C(=O)O)c1ccc(N2CC3=C(CC=CC3)C2=O)cc1	ir: 4 2 1 4 7 6 3 4 8 4 5 5 5 15 20 16 30 32 43 25 6 100 21 13 16 15 5 7 5 5 5 9 23 18 4 5 7 7 10 35 24 5 4 8 5 4 2 9 6 1 4 7 6 2 32 45 19 5 4 2 3 1 3 4 3 2 6 5 3 7 9 7 8 3 24 16 10 40 80 15 28 15 10 8 3 8 5 6 2 9 6 4 2 11 9 6 9 11 6 3 3 3 3 5 2 9 4 2 1 3 3 8 16 8 8 8 5 6 7 21 8 7 7 10 4 7 11 4 2 6 4 4 3 4 6 7 2 3 4 7 7 17 69 41 7 9 5 6 5 27 20 4 6 15 16 7 7 26 6 2 2 3 7 1 1 3 2 0 2 3 1 0 2 3 2 1 2 3 2 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 1 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 3 2 5 4 3 1 2 5 8 2 4 8 19 8 67 51 19 9 5 5 4 2 4 4 19 59 31 6 4 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 1 1 2 1 1; 1HNMR: 99 98 s 1H \| 74 73 m 4H \| 59 58 dtt 1H J 9 51 95 \| 57 57 dtt 1H J 9 51 96 \| 41 41 t 2H J 10 \| 38 37 m 1H \| 32 31 dp 2H J 10 51 \| 30 30 dq 2H J 10 51 \| 15 14 d 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)N1CC[C@H](c2cc(=O)[nH]o2)C[C@@H]1Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1	ir: 24 20 21 14 16 15 32 15 11 9 7 11 19 15 36 44 11 5 3 6 4 4 2 3 4 3 3 8 17 9 19 12 6 8 4 10 7 6 5 3 2 2 3 3 2 2 2 2 6 7 5 4 4 2 3 2 2 1 25 26 8 5 29 42 23 2 15 10 14 33 23 8 5 8 3 2 2 2 2 3 3 10 4 1 2 2 1 1 2 2 6 7 2 6 1 6 6 11 5 9 27 8 9 4 24 16 10 4 4 4 5 6 22 12 29 62 38 12 17 14 11 14 18 11 19 20 9 13 13 12 14 30 15 12 30 13 12 21 6 3 2 3 4 4 4 9 8 11 4 6 11 61 4 4 2 0 2 6 5 20 21 98 13 18 22 5 4 5 2 2 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 1 1 1 2 2 2 2 4 5 3 3 8 9 11 4 4 10 7 8 13 11 71 11 35 53 54 24 28 12 6 6 3 2 3 3 2 1 2 2 2 4 4 2 5 4 5 15 16 100 17 5 4 6 4 8 3 2 2 3 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 t 1H J 22 \| 70 70 dt 2H J 9 20 \| 57 56 d 1H J 18 \| 40 39 qdd 1H J 26 60 86 \| 38 38 ddd 1H J 62 90 123 \| 37 37 s 3H \| 35 34 ddd 1H J 63 90 124 \| 31 30 ddt 1H J 9 86 123 \| 29 28 ddt 1H J 9 85 123 \| 27 26 dddd 1H J 22 48 79 117 \| 22 21 m 2H \| 20 18 m 2H \| 12 12 s 16H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c(Nc3cc(C)[nH]n3)nc(C(F)(F)c3ccc(F)cn3)nc12	ir: 5 8 5 6 7 3 9 10 6 6 5 5 4 7 3 7 13 6 5 7 6 5 5 11 8 5 4 15 14 5 3 14 11 14 33 24 18 3 8 7 3 1 3 8 7 21 44 28 6 21 13 20 20 68 40 12 5 5 5 4 3 2 3 4 9 3 3 7 4 9 12 5 2 3 18 9 3 7 4 2 2 9 6 5 3 2 3 8 13 2 3 3 1 3 4 8 1 24 23 35 19 3 15 9 1 7 6 13 2 3 7 3 0 4 13 10 2 7 10 2 1 5 8 1 3 12 5 4 1 2 4 1 1 5 13 24 30 10 6 16 39 11 40 3 19 98 18 48 6 13 12 16 12 34 23 1 2 4 44 63 54 14 9 4 6 3 2 0 1 2 2 0 2 3 1 0 1 3 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 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 1 0 1 2 1 0 1 3 1 0 1 2 1 0 2 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 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 3 3 4 8 7 18 49 62 20 7 7 4 2 2 3 3 1 2 4 2 1 2 3 1 1 3 3 4 4 14 29 58 70 100 20 4 2 2 3 3 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 93 93 s 1H \| 89 89 s 1H \| 84 83 dd 1H J 19 141 \| 80 80 dd 1H J 12 98 \| 76 75 m 1H \| 75 74 m 2H \| 71 70 dd 1H J 12 89 \| 60 59 s 1H \| 39 39 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.
Cc1cccc2c1C(=O)C1(CCNCC1)c1ccccc1C2	ir: 2 2 2 1 2 2 2 2 4 3 7 3 3 5 4 5 7 24 10 3 3 5 2 4 6 5 4 4 13 8 11 5 4 3 13 27 12 6 4 3 5 10 68 44 16 62 7 19 11 20 7 6 4 9 6 13 8 3 4 2 3 10 4 2 9 14 8 3 10 24 16 16 12 7 3 3 7 2 2 1 2 5 3 3 1 2 3 2 1 5 7 16 5 3 3 11 4 3 5 6 3 2 4 3 1 2 4 5 1 3 15 10 0 25 28 100 55 16 10 7 8 3 3 3 6 10 13 38 12 10 11 8 7 17 9 10 8 10 23 17 16 5 1 7 7 9 4 8 3 10 11 2 3 2 2 1 3 10 2 1 4 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 3 4 5 9 4 5 4 2 4 3 5 16 13 11 63 91 7 11 6 3 1 3 2 2 2 3 5 2 4 5 12 6 8 67 90 65 16 4 3 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 6H \| 72 71 m 1H \| 42 41 p 1H J 36 \| 38 38 d 2H J 10 \| 31 30 ddt 2H J 32 57 139 \| 29 28 ddt 2H J 34 59 139 \| 25 25 ddd 2H J 30 57 139 \| 24 24 d 3H J 6 \| 23 22 ddd 2H J 31 59 141	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(=O)c1ccc(C(=O)O)cc1	ir: 0 0 1 0 0 1 5 1 1 2 1 1 2 3 5 1 4 5 3 9 13 100 81 6 4 1 2 2 6 3 2 2 1 1 0 0 1 2 5 7 1 1 3 3 0 1 0 1 0 0 1 2 1 1 1 2 15 13 1 1 1 0 1 1 1 2 3 0 1 1 5 0 1 0 2 16 14 6 18 25 9 2 1 2 1 1 2 5 4 3 0 1 0 0 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 0 0 1 1 2 2 18 4 5 2 3 4 2 1 1 2 11 4 1 1 1 5 2 1 0 1 0 1 1 1 1 2 4 5 52 40 2 2 2 2 1 1 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 2 2 2 3 5 8 18 7 2 1 0 1 1 0 0 1 47 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 m 2H \| 80 79 m 2H \| 35 34 p 1H J 70 \| 12 11 d 6H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cncc(F)c1-c1ccc(Cl)cc1F	ir: 14 4 5 6 3 5 5 3 2 3 3 3 3 2 2 15 12 6 1 2 12 15 5 2 1 1 1 1 1 1 1 1 1 1 3 3 2 2 4 13 13 4 1 1 1 1 1 1 1 1 1 0 6 8 6 14 28 2 2 2 1 1 1 1 1 3 3 23 2 1 1 1 1 1 1 4 2 10 6 2 1 1 1 1 3 6 14 4 0 1 5 36 2 1 1 1 1 1 1 1 1 4 1 1 0 1 18 1 1 1 1 2 2 3 15 2 10 21 10 12 4 3 1 1 1 1 1 1 1 1 1 0 0 6 0 1 1 0 1 1 1 4 11 5 13 8 6 13 7 2 2 2 7 2 3 11 3 2 3 4 1 100 5 7 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 0 1 1 1 1 1 2 2 2 4 4 16 25 14 4 2 3 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 d 1H J 16 \| 87 86 dd 1H J 16 141 \| 77 76 ddd 1H J 21 51 82 \| 74 73 dd 1H J 22 121 \| 73 73 dd 1H J 21 82 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(N)ccc1Oc1ccnc(Cl)c1	ir: 11 4 4 8 9 5 2 5 4 5 5 3 5 8 9 8 6 11 6 4 2 3 2 4 6 3 3 3 2 3 3 7 12 9 10 17 14 26 8 5 8 3 5 4 2 3 3 3 2 1 2 4 4 10 14 18 4 5 3 3 3 2 3 2 9 4 15 16 5 5 2 3 3 8 12 2 6 3 4 2 1 2 1 1 3 3 6 7 7 4 3 1 1 1 1 1 1 1 2 2 3 2 1 1 6 2 1 3 3 2 1 3 1 2 1 1 1 1 1 3 4 2 1 3 4 2 1 1 2 3 8 9 8 4 3 3 5 12 18 7 3 1 2 3 3 11 4 6 7 39 13 15 46 26 8 3 5 2 11 38 7 8 4 1 2 3 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 2 2 1 1 1 1 2 2 2 2 3 2 3 2 5 5 2 11 35 14 10 5 3 3 2 2 2 1 2 2 2 1 2 2 2 8 19 26 6 1 1 2 2 1 0 3 5 6 77 100 3 4 6 0 1 4 2 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 d 1H J 48 \| 69 69 dd 1H J 20 48 \| 69 69 d 1H J 81 \| 68 68 d 1H J 22 \| 65 65 d 1H J 81 \| 52 51 s 2H \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC1=C(c2ccc(O)cc2)C(c2ccccc2)c2cc(O)ccc21	ir: 4 2 4 3 3 2 2 2 3 2 3 3 3 3 3 2 3 2 2 3 2 2 2 3 2 2 2 3 2 3 2 4 3 2 3 3 4 5 3 6 5 3 3 3 3 2 2 2 2 2 3 2 3 3 5 16 8 2 3 2 2 2 2 2 2 2 3 5 8 7 3 2 2 3 2 3 3 10 7 21 23 14 9 8 4 5 4 5 5 3 3 3 3 3 3 3 2 3 3 2 2 2 2 2 3 4 4 7 3 3 2 2 2 2 2 2 2 3 4 3 3 3 3 2 2 2 3 2 3 3 2 2 2 2 2 8 8 2 2 2 2 4 4 6 4 5 3 2 4 6 5 3 5 4 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 2 2 2 3 3 2 3 3 3 4 6 7 16 32 11 9 3 1 4 8 13 100 25 0 4 4 2 1 3 3 2 1 3 3 2 1 2 2 2 2 3 2 2 2 2 3 3 2 3 3 2 3 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; 1HNMR: 79 79 s 1H \| 74 73 m 7H \| 73 72 d 1H J 93 \| 69 69 m 3H \| 68 67 dd 1H J 22 92 \| 65 65 s 1H \| 52 52 s 1H \| 33 31 m 2H \| 17 16 m 2H \| 15 13 h 2H J 72 \| 10 9 t 3H J 74	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ccc2nc(-c3ccc(Cl)cc3)cn2c1	ir: 1 2 1 2 2 2 4 3 5 5 1 3 3 12 12 23 13 11 7 18 5 9 5 39 58 4 2 2 2 0 1 2 3 4 2 5 3 1 1 2 6 46 35 62 13 6 4 2 2 1 3 2 2 4 20 13 5 2 3 10 5 5 4 6 6 4 10 6 8 5 2 3 7 5 2 3 2 1 1 2 1 4 6 7 2 5 3 2 2 5 2 3 1 1 3 1 1 3 3 1 1 1 28 14 0 1 2 1 0 1 2 1 1 1 2 1 0 4 4 1 2 3 3 2 3 3 3 5 11 14 2 1 0 1 3 3 1 2 2 1 3 3 4 37 19 9 53 19 6 8 6 4 7 5 3 10 9 8 67 33 3 2 2 3 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 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 0 1 2 2 1 2 3 3 3 23 32 29 34 59 26 10 7 2 2 2 1 2 1 1 1 1 2 30 98 6 2 1 1 1 1 0 1 2 3 1 100 48 8 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 90 89 d 1H J 15 \| 83 83 s 1H \| 81 81 dd 1H J 13 86 \| 80 79 m 2H \| 78 78 d 1H J 86 \| 74 74 m 2H \| 71 71 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C)c(-c2nnc(SCCCN3CCC4(CCc5cc(Cl)ccc54)C3)n2C)s1	ir: 12 16 18 9 5 3 3 2 5 4 8 6 4 2 2 3 4 3 2 18 9 7 9 4 2 3 2 3 3 1 1 3 2 2 1 3 2 0 2 10 5 1 3 4 4 3 5 6 7 3 5 3 3 10 45 10 18 5 3 5 7 3 9 5 7 23 7 16 35 16 5 10 5 3 5 9 10 23 19 7 3 6 10 19 25 21 11 25 9 8 7 16 21 3 8 10 6 4 10 4 6 29 5 5 2 3 9 4 6 4 7 7 8 6 7 7 9 10 9 5 18 19 12 9 13 13 12 25 14 7 6 6 13 2 3 3 4 2 2 5 43 31 11 4 3 2 100 0 4 14 5 4 7 3 2 1 1 2 2 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 1 2 1 0 1 2 1 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 6 4 3 2 5 5 9 5 4 4 6 7 8 23 62 4 17 62 30 10 3 3 2 2 2 3 2 1 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 74 74 dt 1H J 9 25 \| 72 71 dd 1H J 25 87 \| 71 71 d 1H J 87 \| 38 37 s 2H \| 32 31 t 2H J 69 \| 31 30 m 2H \| 30 29 m 2H \| 28 26 m 4H \| 27 27 s 3H \| 25 25 s 2H \| 22 21 m 2H \| 19 18 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)c2ccc(Cl)cc2n1	ir: 3 4 4 3 3 18 2 4 4 3 3 3 3 3 3 3 4 6 4 8 5 3 3 4 5 6 15 7 3 3 5 6 4 3 3 3 3 3 3 4 3 2 3 5 4 0 6 100 2 7 4 1 3 6 6 10 5 4 3 2 3 5 8 7 16 39 12 22 22 7 12 9 7 5 5 4 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 9 9 3 3 3 3 3 3 3 4 4 4 9 5 5 8 4 3 4 5 4 4 13 5 4 4 17 6 4 23 3 4 3 3 3 3 3 3 3 5 3 4 3 3 3 4 4 6 6 35 17 4 3 3 3 3 3 3 3 6 3 4 4 10 18 7 4 6 77 9 3 3 5 4 15 6 2 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 4 4 5 4 9 6 5 7 52 15 10 7 4 4 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 79 79 d 1H J 86 \| 79 78 d 1H J 22 \| 74 74 dd 1H J 21 87 \| 66 66 t 1H J 7 \| 41 41 s 3H \| 26 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CBr)cc1O	ir: 6 9 5 2 1 2 3 8 14 2 3 2 3 5 5 5 10 11 3 5 13 30 84 24 31 29 11 7 4 4 3 2 6 40 6 3 8 6 6 3 3 1 3 2 2 2 2 1 1 1 1 1 1 4 7 7 5 1 2 7 3 1 1 1 1 1 2 4 4 4 1 1 2 4 4 25 3 8 6 2 4 8 9 8 18 1 8 3 9 5 7 7 3 19 41 100 8 3 2 2 2 4 8 31 5 5 6 23 25 18 35 2 0 1 2 2 1 2 2 5 7 11 5 6 3 1 11 6 7 2 2 1 1 2 2 1 1 8 6 1 1 1 2 1 1 2 2 3 3 3 2 3 22 9 36 17 4 2 2 0 2 5 18 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 1 1 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 3 4 4 2 1 2 2 1 3 10 8 4 14 63 16 1 9 13 59 27 56 2 2 4 1 0 2 3 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 d 1H J 81 \| 71 71 ddt 1H J 9 18 81 \| 69 69 dt 1H J 8 17 \| 45 44 d 2H J 9 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)O[C@H]1CCCC2=C[C@@H](O)CC[C@@]21C	ir: 2 1 0 1 2 1 1 1 3 3 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 2 1 1 2 0 2 1 2 0 1 1 1 1 2 1 1 2 2 1 2 2 2 2 8 15 10 4 2 1 2 2 1 1 1 1 1 1 2 1 1 1 3 2 2 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 2 1 1 2 1 1 1 1 2 1 5 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 2 3 1 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 2 3 5 2 3 2 3 4 5 9 10 6 4 2 4 3 2 3 9 9 100 47 1 4 6 3 2 2 2 1 0 2 2 1 0 2 2 1 3 1 2 1 2 2 2 1 1 2 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 55 55 dp 1H J 9 49 \| 42 41 ddddt 1H J 9 40 50 59 68 \| 39 39 m 1H \| 26 25 d 1H J 55 \| 23 23 dddt 1H J 10 53 79 140 \| 22 21 dddt 1H J 10 53 79 141 \| 19 17 m 5H \| 17 15 m 5H \| 12 12 s 8H \| 11 11 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(c(OC)c1)[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@H]1CC2	ir: 2 1 2 2 1 1 1 2 1 1 1 3 3 4 5 2 2 4 6 16 7 3 4 4 29 91 44 17 7 3 2 5 3 2 1 1 1 3 2 0 0 1 1 1 0 3 5 3 1 1 2 4 3 4 2 0 5 3 8 10 12 5 6 7 7 18 22 38 33 51 25 27 11 7 7 8 5 2 1 1 2 2 2 2 1 1 1 2 6 4 2 4 2 3 1 2 4 7 24 12 12 13 6 3 15 6 6 12 11 7 4 7 6 4 4 10 4 5 8 6 12 14 11 18 24 9 6 8 12 8 2 3 5 1 1 1 2 2 2 1 2 3 4 7 49 100 5 2 2 1 1 2 1 1 1 4 12 18 3 1 1 7 73 13 3 2 1 1 1 1 0 1 0 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 2 5 4 6 7 8 4 8 9 10 9 9 45 10 9 27 94 93 16 3 2 2 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 64 64 d 1H J 22 \| 63 63 dd 1H J 10 21 \| 47 46 ddt 1H J 17 33 50 \| 39 38 s 2H \| 38 38 s 2H \| 30 29 dddd 1H J 8 52 77 139 \| 29 28 dddd 1H J 8 52 77 139 \| 27 26 m 1H \| 20 20 s 3H \| 20 19 m 2H \| 19 17 m 6H \| 16 15 m 2H \| 15 13 m 3H \| 9 8 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ir: 0 0 1 1 3 1 1 1 2 3 2 2 1 1 1 0 1 1 1 0 1 3 1 1 0 1 1 1 1 2 1 2 26 12 2 2 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 1 0 2 10 25 5 1 1 1 1 1 1 1 1 0 0 0 1 1 0 0 0 0 1 0 1 0 1 1 1 4 3 3 0 0 0 0 0 0 1 1 0 1 1 1 3 6 1 1 0 1 1 1 0 1 7 2 1 4 17 14 17 3 7 5 16 3 17 2 1 1 1 1 1 0 2 1 1 1 3 100 2 1 1 1 3 1 0 1 2 9 1 1 1 1 18 12 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 0 0 1 1 1 1 2 2 3 10 10 20 40 2 2 4 3 1 1 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 90 t 1H J 22 \| 89 89 d 2H J 22 \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(OC(N)=S)cc(C(C)(C)C)c1O	ir: 1 6 7 2 1 1 2 2 2 1 2 3 2 2 3 4 5 5 5 5 28 58 76 17 6 7 4 2 2 5 3 2 0 3 2 1 1 2 2 2 8 10 9 3 2 3 3 0 2 3 1 1 1 2 2 0 1 2 1 1 4 2 1 5 8 13 4 4 8 6 3 2 4 6 4 3 3 8 8 4 2 33 21 15 4 5 3 3 2 2 1 2 5 3 7 8 3 2 1 3 3 16 5 2 1 2 3 1 1 1 0 1 1 3 2 5 7 14 3 10 8 8 4 2 4 1 1 2 3 2 4 2 5 2 3 2 1 1 1 2 2 9 15 3 2 0 0 2 2 6 1 2 2 1 4 13 27 87 7 3 3 1 1 3 4 3 3 3 1 1 2 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 1 1 1 1 0 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 2 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 2 2 3 2 4 3 2 1 1 2 1 0 1 2 4 4 2 2 2 1 2 2 1 0 1 3 3 13 11 4 4 9 15 5 3 2 2 5 5 77 85 1 2 2 1 1 1 1 6 7 1 2 1 1 1 0 2 3 3 7 11 79 100 9 4 5 3 3 1 1 1 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 79 s 2H \| 72 72 s 2H \| 62 61 s 1H \| 15 14 s 18H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(-c2ccc(NS(=O)(=O)c3sc4ccc(F)cc4c3C)c(S(C)(=O)=O)c2)s1	ir: 2 15 5 4 8 8 4 6 12 5 3 11 26 18 11 9 3 4 20 7 4 7 4 1 8 2 1 3 9 9 8 4 4 4 3 8 39 14 6 3 3 4 8 10 8 6 6 2 3 5 4 19 6 7 30 0 10 12 7 14 4 4 2 2 7 10 32 68 61 29 9 6 3 3 3 6 9 3 4 8 8 5 18 3 7 4 7 11 18 80 6 24 100 29 9 14 6 6 12 56 3 8 8 4 1 2 3 2 1 7 2 2 1 2 4 3 4 5 12 11 4 4 3 7 15 10 6 3 2 2 4 5 3 4 18 3 2 2 2 2 2 2 3 3 6 51 13 1 9 5 5 5 12 3 6 2 1 2 2 2 2 2 2 1 2 4 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 3 2 3 3 6 4 23 6 13 16 21 18 5 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 3 30 24 4 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 82 82 d 1H J 22 \| 81 80 dd 1H J 22 82 \| 80 80 dd 1H J 46 77 \| 76 75 m 2H \| 74 74 s 1H \| 72 71 ddd 1H J 26 77 102 \| 32 32 s 3H \| 27 26 s 3H \| 25 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC1CCOCC1)C(=O)O2	ir: 3 5 1 6 2 2 4 3 5 6 8 4 3 2 3 1 2 2 2 3 4 4 1 1 1 1 3 3 2 3 1 4 6 7 2 2 2 2 4 5 4 63 2 4 1 2 2 1 1 0 1 1 1 5 12 3 3 0 1 2 1 2 1 2 3 1 1 4 3 5 5 2 1 1 2 2 2 1 2 1 1 0 1 1 1 1 2 7 3 3 8 7 2 1 1 1 2 1 2 2 1 1 1 11 1 1 2 2 5 5 2 3 3 3 3 2 6 3 4 2 1 2 3 7 3 5 8 8 8 8 2 1 1 2 2 11 2 1 1 2 1 1 6 9 3 1 2 23 0 2 2 100 21 1 2 1 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 1 1 2 1 1 1 1 2 1 2 2 3 1 2 2 3 5 5 8 5 12 19 5 2 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dd 1H J 6 23 \| 74 74 d 1H J 87 \| 74 72 m 5H \| 72 71 dd 1H J 22 88 \| 56 55 s 1H \| 37 36 m 4H \| 35 34 ddd 2H J 33 60 110 \| 26 25 s 2H \| 24 24 s 2H \| 22 21 pt 1H J 51 64 \| 18 17 dtd 2H J 32 62 134 \| 16 15 dtd 2H J 33 62 136	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCn1c(=O)n(COCC)c(=O)c2c1ncn2Cc1ccccc1	ir: 8 9 12 11 8 7 9 4 4 6 4 4 8 5 3 2 3 6 5 2 2 4 5 3 3 5 6 4 2 7 9 5 7 6 10 8 39 20 57 7 10 17 10 13 4 7 16 8 4 7 4 4 3 3 2 4 4 10 6 3 3 5 4 3 5 5 13 26 23 9 8 8 9 7 5 5 7 4 5 3 2 6 2 2 3 3 2 2 6 9 3 2 3 3 3 3 7 7 9 12 5 4 2 2 3 3 2 4 4 7 13 29 37 32 14 7 11 9 10 13 19 36 5 8 17 9 4 6 7 6 3 5 7 3 4 22 3 2 2 5 6 0 10 98 4 6 14 7 2 7 12 74 8 1 3 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 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 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 2 3 2 3 6 9 2 2 5 9 6 10 4 4 4 5 6 9 20 100 28 19 30 41 27 5 5 3 5 3 2 3 4 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 80 79 t 1H J 9 \| 73 72 m 3H \| 72 71 ddt 2H J 10 16 68 \| 55 55 q 2H J 9 \| 54 54 s 2H \| 41 40 t 2H J 72 \| 36 36 q 2H J 62 \| 18 17 h 2H J 76 \| 12 11 t 3H J 62 \| 11 10 t 3H J 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc2c(cn1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1	ir: 1 1 1 1 1 1 0 1 2 1 2 3 2 1 0 1 1 0 1 2 2 2 1 2 7 3 2 2 2 5 7 7 13 25 9 10 4 2 5 7 42 41 6 10 8 2 1 1 1 0 1 1 1 2 1 2 1 1 1 1 9 4 1 4 5 1 1 2 5 9 14 13 2 2 1 4 3 2 11 4 4 2 5 7 3 13 14 4 1 1 1 1 1 4 2 2 2 2 2 1 1 1 1 1 3 1 2 4 14 9 6 6 3 6 7 5 0 2 4 2 2 1 2 4 1 4 11 5 3 2 4 6 4 10 7 61 84 4 3 1 4 4 4 20 64 23 4 9 15 4 2 1 1 14 2 1 1 1 1 1 2 2 1 0 5 1 1 0 1 2 1 2 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 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 1 0 1 1 0 3 2 1 0 1 2 1 1 1 2 2 2 4 9 7 19 36 100 57 24 7 3 3 2 2 2 2 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 95 95 s 1H \| 90 90 s 1H \| 74 73 m 6H \| 73 73 s 10H \| 40 40 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1cc([C@]23CO[C@@H](CF)C[C@H]2CSC(NC(=O)c2ccccc2)=N3)c(F)cc1F	ir: 3 4 4 2 4 4 3 2 4 7 5 5 5 3 3 4 4 9 6 8 4 4 3 1 2 8 4 4 1 5 9 8 15 12 16 54 22 30 11 3 11 10 5 11 5 5 3 2 3 2 3 3 5 4 3 6 3 3 9 13 19 8 12 8 4 6 13 43 25 100 24 38 14 11 9 13 7 6 13 1 6 8 9 2 4 3 1 1 3 2 2 1 2 3 1 2 5 3 7 11 6 4 2 2 4 4 2 2 3 2 3 4 5 4 1 5 5 4 3 6 9 8 6 10 8 10 11 9 5 6 8 15 16 23 47 56 13 11 5 5 4 13 16 28 12 14 4 19 13 63 12 17 5 3 7 5 5 1 2 2 4 3 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 2 1 1 1 1 1 1 1 1 0 1 2 1 1 2 2 2 2 2 3 2 1 4 4 4 5 9 6 8 32 19 13 5 2 4 2 4 3 4 7 4 5 14 14 22 18 8 13 10 5 12 52 15 55 64 23 3 4 4 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 96 95 s 1H \| 79 78 m 2H \| 76 75 m 3H \| 74 73 tt 1H J 9 40 \| 70 69 t 1H J 121 \| 46 46 dd 0H J 33 103 \| 45 45 dd 0H J 33 101 \| 44 43 m 1H \| 43 42 m 1H \| 40 39 m 3H \| 33 32 dd 1H J 35 132 \| 31 30 dd 1H J 60 132 \| 23 23 ddt 1H J 37 62 135 \| 22 21 m 1H \| 21 20 dddd 1H J 36 64 88 134 \| 20 19 t 2H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c(C(=O)NCc3ccccc3C)cn(CCCCl)c12	ir: 1 2 1 2 2 4 10 2 1 1 2 3 3 2 2 2 1 1 2 2 1 9 14 14 5 2 2 4 2 3 2 1 1 3 3 18 18 4 2 6 9 30 29 2 4 2 6 27 53 6 3 6 2 7 4 2 4 4 1 2 1 1 2 2 3 6 1 2 2 2 5 2 2 1 2 3 1 1 1 1 2 4 2 1 2 1 2 2 1 6 7 4 5 8 2 1 1 1 1 1 4 11 2 1 2 1 2 4 1 2 6 13 7 7 1 3 6 2 3 4 8 4 5 2 8 27 16 3 1 3 1 1 1 2 3 1 4 41 3 1 5 83 24 7 4 61 16 3 15 38 83 6 4 3 1 2 3 2 6 6 9 6 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 2 1 2 3 3 1 2 1 1 2 2 3 21 12 5 19 8 34 22 26 16 3 3 2 1 1 1 1 0 2 2 1 1 1 2 4 3 2 2 4 3 3 15 100 47 6 3 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 79 79 m 1H \| 78 78 q 1H J 7 \| 73 73 t 1H J 72 \| 72 72 dq 1H J 10 77 \| 72 71 m 4H \| 69 69 dd 1H J 12 72 \| 46 45 dd 2H J 9 59 \| 41 41 td 2H J 9 47 \| 39 39 s 2H \| 37 36 t 2H J 31 \| 24 23 d 3H J 6 \| 21 20 tt 2H J 31 46	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(Cl)ccc1C(=O)NCc1ccn(Cc2cccc(F)c2)c1	ir: 2 3 3 3 2 6 2 5 8 2 1 5 6 5 4 10 6 8 10 8 5 5 2 7 3 6 4 4 5 5 1 2 2 2 2 3 4 3 1 3 4 11 30 55 10 1 15 6 10 4 9 5 13 30 11 5 1 3 3 2 1 2 2 1 1 2 1 1 5 3 1 1 1 2 2 2 2 4 4 4 2 1 0 1 0 0 1 10 34 7 0 3 3 5 3 2 4 10 6 4 1 1 1 2 1 0 0 1 1 1 0 2 1 1 1 1 1 1 1 2 6 2 11 3 2 1 3 1 2 1 1 1 2 2 13 5 3 1 1 8 8 4 30 32 32 4 10 5 18 11 11 14 5 15 100 71 13 6 1 28 35 2 1 2 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 1 1 1 1 1 1 0 1 1 1 2 4 4 6 33 9 14 9 9 6 3 2 1 1 1 3 1 1 1 2 1 6 25 5 4 4 4 7 19 13 1 2 3 4 17 77 4 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 86 \| 77 76 t 1H J 49 \| 74 73 m 1H \| 73 72 s 2H \| 72 71 ddq 1H J 9 19 66 \| 71 70 tdd 2H J 11 25 104 \| 68 68 ddt 1H J 9 17 46 \| 67 66 m 2H \| 62 61 ddt 1H J 9 17 46 \| 52 52 p 2H J 9 \| 44 44 dt 2H J 9 50	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCCOc1ccccn1	ir: 1 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 2 1 1 1 1 2 3 4 3 2 2 22 48 17 3 1 2 2 2 0 1 3 5 1 1 3 7 3 6 7 6 6 5 2 4 7 6 6 3 1 1 2 6 15 16 10 3 2 2 1 1 1 3 2 13 13 5 2 1 1 1 1 1 1 1 1 1 3 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 5 4 1 1 1 2 2 2 3 2 2 2 3 8 6 2 2 5 3 2 4 3 2 5 19 21 22 19 17 6 3 2 1 1 1 1 1 2 6 4 2 1 1 2 3 4 1 100 43 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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 3 2 2 2 1 1 2 1 1 2 1 2 2 9 24 14 2 2 2 2 1 2 1 2 2 2 2 4 8 14 8 13 4 3 3 5 80 86 5 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 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 81 81 dd 1H J 17 42 \| 76 76 ddd 1H J 13 40 71 \| 73 72 td 1H J 16 73 \| 69 69 dd 1H J 13 76 \| 42 41 t 2H J 65 \| 30 30 tt 2H J 55 63 \| 22 21 t 2H J 64 \| 21 20 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Ic1cccnc1OCC1CC1	ir: 1 1 2 2 2 4 7 3 1 2 2 2 1 2 1 1 1 1 2 2 2 2 2 2 1 1 1 2 2 2 2 2 2 9 4 12 100 14 4 9 10 4 5 2 2 2 5 2 2 2 2 1 2 2 2 1 2 2 2 2 5 14 36 1 2 3 8 3 2 5 5 1 3 2 2 1 2 2 2 3 19 2 2 2 2 4 2 6 4 3 1 2 2 2 1 3 5 2 1 1 2 4 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 4 5 2 2 3 4 2 3 3 1 0 7 75 4 4 2 1 2 2 13 1 2 3 2 4 11 48 13 8 3 2 2 2 3 3 9 17 6 4 6 3 3 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 3 5 4 3 4 5 3 8 16 14 5 4 2 2 2 1 2 2 1 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 82 81 dd 1H J 20 40 \| 80 79 dd 1H J 21 74 \| 69 69 dd 1H J 40 75 \| 41 41 d 2H J 53 \| 15 14 m 1H \| 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.
CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCC(N)C3)c(F)cc2c1=O	ir: 1 2 3 1 0 1 2 1 1 2 1 1 0 1 2 1 6 1 2 1 1 2 2 1 1 3 2 1 1 1 1 1 1 1 1 1 2 3 3 1 1 2 1 1 2 3 2 7 65 12 7 4 2 2 11 8 3 4 9 10 4 24 5 1 2 10 6 4 4 2 1 1 2 2 3 11 2 1 2 1 5 4 0 1 2 1 1 2 2 2 1 6 3 2 2 1 2 2 6 2 3 1 1 1 2 3 1 2 2 1 0 1 1 3 1 1 2 4 3 2 2 6 3 2 8 2 1 2 3 2 3 10 3 7 13 4 18 2 3 2 2 2 4 3 7 6 0 8 1 4 1 2 2 100 1 3 2 1 2 2 18 7 1 2 2 8 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 4 2 5 7 9 4 3 1 1 1 1 0 1 1 1 2 7 4 4 7 4 2 1 1 2 11 3 2 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 s 1H \| 79 78 d 1H J 121 \| 72 71 m 1H \| 70 69 m 2H \| 43 42 q 2H J 71 \| 40 39 m 1H \| 37 36 m 2H \| 36 35 ddd 1H J 55 73 136 \| 34 33 tp 1H J 28 54 \| 21 20 m 1H \| 19 18 d 2H J 49 \| 18 17 m 1H \| 13 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(NCCc3ccccc3)nn2)CC1	ir: 2 4 4 3 3 4 5 9 4 10 13 11 8 5 11 7 9 6 10 8 4 12 15 8 5 9 5 4 1 5 9 8 3 4 3 2 4 4 10 23 20 8 56 34 4 2 2 1 3 3 2 5 17 12 11 3 2 7 2 1 3 5 3 1 3 5 2 1 3 3 1 3 4 3 5 2 2 3 3 1 3 3 2 10 3 3 2 1 4 5 2 2 4 2 3 1 3 8 10 16 10 10 5 5 6 10 6 3 8 7 3 3 6 4 1 11 17 8 7 7 5 16 10 7 12 6 6 3 6 7 7 7 7 9 6 16 6 18 4 4 7 15 11 23 11 10 1 35 100 21 10 8 12 6 6 5 2 2 2 5 3 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 0 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 3 3 1 3 3 2 1 3 5 3 4 7 11 24 32 43 8 5 3 2 5 2 1 2 3 1 2 2 2 1 1 2 3 2 2 4 6 5 26 66 29 20 7 7 3 2 5 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 79 78 dp 1H J 14 106 \| 78 78 dd 1H J 16 73 \| 78 77 ddd 1H J 15 68 106 \| 75 75 td 1H J 15 71 \| 73 72 m 3H \| 73 73 s 3H \| 68 68 d 1H J 84 \| 68 67 d 1H J 84 \| 59 59 t 1H J 50 \| 37 36 m 4H \| 36 36 m 6H \| 29 28 t 2H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2ncc(-c3ccc(N4CCCC4)nc3)c2N)cc1	ir: 2 3 4 6 5 8 5 11 7 10 11 1 2 2 3 1 1 2 2 6 4 3 3 2 2 2 1 1 1 1 1 1 1 1 3 4 3 5 2 4 4 4 1 1 1 1 2 3 3 4 3 5 8 4 11 12 6 3 2 2 5 2 4 3 3 1 1 2 3 3 7 1 0 1 1 2 3 1 1 1 0 1 1 1 1 2 4 2 3 2 2 2 2 1 2 3 4 3 7 3 2 1 1 1 2 1 2 3 2 1 2 2 3 2 1 1 2 2 1 2 2 1 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 4 2 2 8 5 1 1 1 1 3 9 11 20 6 9 5 4 17 30 4 13 11 8 4 5 2 2 2 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 1 0 1 1 0 0 1 0 1 1 1 0 1 0 1 1 1 1 1 1 2 2 1 1 1 1 4 3 5 5 11 10 1 2 2 1 0 1 1 1 1 1 0 1 1 0 0 5 47 29 8 0 0 1 1 0 0 1 2 2 6 100 4 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 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; 1HNMR: 82 82 s 1H \| 80 80 d 1H J 20 \| 79 79 dd 1H J 18 75 \| 73 72 dt 2H J 9 74 \| 69 69 m 2H \| 66 66 d 1H J 75 \| 57 56 s 2H \| 53 52 t 2H J 9 \| 38 38 s 2H \| 36 36 m 2H \| 36 36 s 2H \| 21 20 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cc(C(=O)CC(c2ccc(Br)cc2)c2ccccc2C)ccc1=O	ir: 13 19 8 9 9 9 8 10 26 13 13 9 9 12 13 10 7 8 8 18 9 7 7 7 7 6 6 7 7 6 7 8 9 11 14 15 22 11 7 14 14 7 100 82 27 25 31 16 10 21 17 14 14 0 28 46 12 11 33 30 15 11 7 7 9 8 15 9 8 28 11 9 12 13 7 10 8 8 7 7 7 8 8 18 12 9 7 10 8 9 18 36 23 16 16 17 24 12 11 8 10 8 9 7 8 12 9 14 17 16 10 9 18 16 14 11 10 13 12 20 15 10 9 9 12 12 10 16 20 15 10 12 35 19 7 10 10 38 11 20 12 13 24 50 58 20 35 21 13 41 14 15 55 49 23 10 35 11 9 8 7 9 9 6 20 9 8 7 6 7 6 6 6 6 7 6 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 7 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 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 7 7 6 6 7 7 6 6 8 9 7 7 9 10 9 10 8 10 10 12 12 14 17 38 40 66 80 41 75 68 19 12 12 9 8 8 8 8 7 7 7 7 6 7 6 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 88 88 dt 1H J 9 18 \| 77 76 dd 1H J 16 98 \| 75 75 m 2H \| 73 72 m 4H \| 72 71 m 2H \| 67 66 d 1H J 97 \| 45 44 ddd 1H J 9 75 80 \| 39 38 qd 2H J 9 77 \| 34 33 m 1H \| 32 31 m 1H \| 24 23 s 3H \| 13 12 t 3H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccc(SCC(=O)C23CC4CC(CC(C4)C2)C3)cc1	ir: 1 1 0 5 0 1 0 3 1 1 1 2 21 1 1 1 2 4 28 9 3 0 0 1 2 0 1 14 5 5 10 13 59 52 11 6 5 3 2 2 1 2 2 2 1 2 2 3 4 2 7 10 1 1 3 4 28 29 7 6 4 0 4 4 8 1 3 6 3 18 15 1 2 4 2 5 3 2 2 1 1 1 1 1 1 1 4 1 1 1 2 2 1 3 13 7 6 1 5 2 2 3 3 5 19 4 4 2 5 6 11 16 7 5 5 8 5 6 2 1 2 11 12 9 9 8 7 5 3 1 2 2 3 4 3 3 1 2 1 2 4 5 34 5 7 16 36 32 26 47 39 5 35 18 3 5 1 0 1 1 2 6 9 3 1 1 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 1 1 1 1 1 1 3 1 2 1 2 5 7 6 5 3 3 6 10 25 10 63 19 17 5 5 9 4 3 2 3 2 1 1 1 0 1 1 2 1 1 3 6 9 8 32 100 19 10 3 7 2 2 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 \| 76 76 m 2H \| 74 74 m 2H \| 39 38 s 2H \| 22 21 s 2H \| 21 20 m 3H \| 19 18 m 9H \| 17 16 dt 3H J 58 130	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F	ir: 2 3 2 1 1 1 1 1 1 1 1 2 2 2 2 2 2 5 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 2 10 8 7 4 5 4 2 9 6 5 3 2 2 2 4 14 12 21 21 33 3 3 2 2 1 1 2 2 2 6 7 19 24 10 4 2 2 2 2 2 3 2 2 2 4 3 2 1 2 4 2 6 19 12 3 5 1 1 2 2 1 2 3 13 5 3 2 3 2 2 2 2 3 1 2 1 1 2 2 2 4 5 3 4 6 17 12 3 2 2 2 1 1 1 1 1 1 1 2 1 4 23 8 3 1 2 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 2 2 3 2 3 10 10 11 2 2 2 1 2 2 1 2 2 1 1 3 7 8 6 6 4 5 2 5 56 100 26 0 0 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 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 m 2H \| 72 71 m 2H \| 38 37 hept 2H J 33	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCO[C@](N)(CCC(=O)O)C(=O)NC(=O)OCC1c2ccccc2-c2ccccc21	ir: 3 7 4 2 3 5 5 2 5 7 7 3 5 9 3 11 3 5 11 5 37 33 31 25 5 11 6 4 2 1 1 2 2 6 10 6 2 3 7 7 2 3 9 2 1 2 1 2 3 2 3 0 2 5 11 5 9 16 14 23 11 9 44 78 13 13 9 11 12 14 16 6 15 14 11 4 3 15 10 10 34 5 14 14 7 6 2 2 4 2 4 3 2 5 3 2 5 3 4 4 4 3 3 2 3 2 1 3 1 1 1 2 5 5 8 2 4 4 6 3 8 6 4 10 12 14 13 33 8 6 3 27 2 7 10 8 100 10 6 2 9 11 4 10 2 9 2 2 3 15 28 7 24 6 2 2 1 2 2 1 2 1 2 2 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 0 1 1 0 1 0 0 0 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 1 0 0 0 0 0 0 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 1 1 1 3 2 1 2 1 4 8 6 3 5 6 6 4 19 27 12 2 1 2 4 2 4 9 11 6 3 6 2 4 7 10 7 8 5 7 30 34 1 26 26 18 20 1 2 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 0 0 0 0 0 1 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; 1HNMR: 78 77 m 2H \| 77 76 ddd 2H J 7 15 77 \| 76 75 td 2H J 12 77 \| 75 75 s 1H \| 74 74 td 2H J 14 78 \| 59 57 ddt 1H J 55 111 165 \| 53 53 ddt 1H J 15 24 112 \| 51 51 ddt 1H J 13 24 165 \| 45 44 d 2H J 49 \| 43 42 m 2H \| 42 41 ddt 1H J 14 53 150 \| 39 38 s 2H \| 27 26 dt 1H J 82 165 \| 25 24 dt 1H J 84 166 \| 24 23 dt 1H J 84 166 \| 22 21 dt 1H J 83 163	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.