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DeerEyeRain
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train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
COCc1ccc(C2(O)CCN(CC(=O)c3ccc(OCc4ccccc4)cc3)CC2)cc1	ir: 2 4 4 4 3 5 4 9 3 2 1 1 1 3 4 4 3 2 3 6 2 6 3 7 8 13 9 6 3 4 12 26 10 6 5 4 15 6 6 15 21 1 2 2 10 18 7 10 3 2 2 1 4 9 17 12 12 13 4 4 1 0 1 3 4 22 4 2 6 12 8 1 2 3 1 5 15 17 16 5 6 11 6 3 10 4 5 12 14 9 5 16 5 6 5 5 4 7 9 13 2 1 3 2 1 1 4 2 1 7 8 7 3 1 2 2 1 4 8 3 6 8 3 4 7 10 7 4 4 10 8 6 3 4 4 13 0 1 1 1 1 4 6 14 16 1 3 4 5 11 28 24 6 6 2 1 1 1 1 0 1 1 1 2 0 1 0 0 0 1 1 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 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 1 1 1 1 1 1 2 1 2 3 6 4 4 2 2 1 1 4 1 4 12 15 17 37 35 19 5 5 2 2 10 100 18 3 1 3 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 2 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H \| 74 74 m 2H \| 74 73 m 5H \| 72 72 dp 2H J 9 81 \| 71 70 m 2H \| 51 50 d 2H J 9 \| 45 44 d 2H J 9 \| 40 39 s 2H \| 34 34 d 3H J 134 \| 31 30 ddd 2H J 38 65 125 \| 29 28 ddd 2H J 38 65 125 \| 23 22 ddd 2H J 38 66 136 \| 20 19 ddd 2H J 38 65 134	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CN(Cc1ccc(F)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	ir: 7 4 13 6 3 3 1 2 3 3 4 25 8 9 5 3 2 5 1 2 2 3 2 9 11 5 1 19 8 1 2 5 15 14 13 8 4 5 9 18 4 2 1 1 1 3 2 1 3 3 5 16 4 33 16 42 10 1 1 2 1 0 7 52 18 10 4 16 8 39 8 16 7 1 4 3 3 1 4 5 28 33 25 53 18 100 16 8 52 6 10 3 5 20 28 1 6 9 17 6 11 10 11 6 3 2 0 1 1 1 0 1 2 2 1 2 2 2 3 12 3 5 2 5 9 13 2 2 5 2 4 7 4 1 1 2 1 1 0 1 3 2 4 8 20 17 8 13 10 18 3 1 9 5 1 1 0 0 1 1 5 2 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 2 2 1 0 1 1 3 3 2 1 1 2 5 2 5 17 10 42 55 45 15 6 2 3 3 3 2 4 5 1 1 1 1 0 1 1 1 0 0 1 0 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 76 m 2H \| 75 74 dq 2H J 9 84 \| 71 70 m 2H \| 69 69 ddt 1H J 9 18 35 \| 47 46 t 2H J 8 \| 40 39 s 2H \| 39 39 s 3H \| 37 37 s 3H \| 24 24 d 3H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1sc(NS(=O)(=O)c2ccccc2)c(C(=O)OC)c1C(C)C	ir: 1 1 2 2 2 2 2 2 3 9 9 9 5 1 2 6 6 1 0 1 1 1 0 1 1 1 3 2 2 2 6 7 1 2 1 1 1 2 2 6 28 12 2 4 1 4 1 2 4 5 5 9 15 11 13 9 4 8 5 1 3 2 20 3 14 5 7 5 3 3 1 2 1 1 1 6 1 9 2 2 1 0 1 2 31 2 15 2 2 2 0 0 1 1 1 1 2 6 4 2 1 2 4 7 2 1 4 5 3 19 2 2 1 2 1 1 2 9 7 9 11 4 8 7 17 4 9 2 6 2 1 3 2 1 15 5 2 1 1 1 1 3 4 5 3 3 0 1 1 0 1 11 5 20 2 1 1 0 0 1 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 2 1 1 1 2 4 3 9 3 3 20 8 2 1 1 1 0 1 1 2 1 0 1 1 0 1 0 1 1 1 1 1 1 2 6 5 17 100 12 4 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 96 s 1H \| 80 79 tt 1H J 13 74 \| 78 77 dq 2H J 16 88 \| 74 74 m 2H \| 39 38 s 2H \| 34 33 hept 1H J 66 \| 29 28 q 2H J 67 \| 14 13 dd 9H J 67 233	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1Cc2ccc(Br)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1	ir: 6 3 3 4 5 5 3 3 2 2 4 4 5 4 6 3 3 3 2 3 4 7 5 2 4 4 4 10 4 5 3 3 2 2 2 4 16 37 28 7 13 6 8 4 6 6 2 3 3 3 7 5 3 2 3 3 5 14 3 3 4 3 2 2 2 5 7 17 5 6 4 6 3 2 4 4 4 6 2 4 14 4 2 4 6 21 8 3 6 3 3 5 14 3 2 2 3 7 5 3 3 3 3 2 1 1 2 2 1 1 2 2 2 2 3 2 2 4 3 3 3 3 3 2 2 1 1 4 3 2 1 2 2 3 1 2 2 2 2 4 5 5 11 6 6 21 89 78 19 11 3 5 3 4 1 4 2 3 6 8 61 15 3 3 2 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 1 1 2 2 2 4 7 3 7 11 3 2 3 2 1 2 1 2 2 2 2 2 2 2 3 7 9 18 4 5 2 2 2 2 2 0 1 4 5 100 4 0 0 2 2 0 1 2 1 0 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 m 2H \| 71 70 m 1H \| 64 64 s 2H \| 51 51 s 1H \| 50 49 dd 1H J 8 151 \| 49 48 dd 1H J 8 151 \| 40 39 h 1H J 69 \| 37 36 m 4H \| 32 31 ddd 1H J 9 68 137 \| 29 29 s 2H \| 28 28 ddd 1H J 9 68 137 \| 25 24 m 4H \| 13 13 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCOc1ccc2c(c1)Nc1cccc(S(=O)(=O)N(C)C)c1S2	ir: 2 5 11 16 19 8 6 3 3 5 5 10 2 4 4 4 28 29 5 2 1 2 2 2 1 4 4 5 3 3 5 1 2 6 17 11 11 32 6 3 4 3 3 9 3 2 3 3 5 3 1 1 5 35 26 5 1 4 9 4 3 10 19 42 27 14 29 18 52 19 6 1 4 5 2 0 3 4 3 0 3 6 4 7 72 49 7 18 89 21 51 59 16 6 2 1 5 10 8 4 3 4 2 13 7 3 2 5 11 5 2 3 6 5 2 3 2 3 4 10 10 2 1 2 3 2 1 2 2 1 1 12 18 2 1 3 3 3 2 2 3 8 1 3 6 5 17 2 2 25 1 2 2 4 2 2 3 2 3 4 1 0 4 33 3 2 1 1 1 0 1 2 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 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 4 3 2 2 3 2 1 2 3 3 3 9 3 11 100 46 14 3 0 2 3 1 0 2 2 1 0 1 2 1 0 1 1 1 0 1 2 2 2 8 26 7 4 3 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 77 dd 1H J 13 82 \| 77 77 s 1H \| 75 74 dd 1H J 73 81 \| 73 72 m 2H \| 68 67 dd 1H J 22 79 \| 67 66 d 1H J 22 \| 40 40 t 2H J 63 \| 28 28 s 5H \| 18 17 tt 2H J 63 74 \| 15 14 dq 2H J 70 78 \| 14 12 m 7H \| 9 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(N)c(Oc2cccc(OC)c2)c(OCCOC2CCCCO2)c1	ir: 2 2 3 10 4 5 2 5 2 1 1 1 2 2 1 1 1 1 1 3 2 3 2 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 3 11 3 1 1 1 1 1 1 1 1 1 1 0 1 1 2 1 2 2 5 8 9 3 3 3 2 7 1 1 1 1 1 2 5 14 1 1 0 1 3 1 0 0 0 0 2 3 1 0 0 1 2 0 0 0 0 0 0 0 0 1 0 4 8 3 2 2 1 3 3 1 1 2 1 1 1 2 1 2 2 2 5 1 0 1 0 0 0 0 0 0 0 1 3 1 1 1 0 1 3 1 1 1 1 1 1 14 28 6 10 2 2 4 5 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 0 1 1 1 0 1 1 0 1 2 2 3 21 7 2 2 1 0 0 0 1 0 0 0 0 0 0 0 0 1 1 9 2 0 0 0 1 0 1 1 1 1 9 100 5 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 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; 1HNMR: 73 72 m 2H \| 72 72 d 1H J 22 \| 69 68 ddd 1H J 12 22 81 \| 68 68 ddd 1H J 11 22 79 \| 65 65 t 1H J 22 \| 47 47 t 1H J 34 \| 43 41 m 2H \| 40 39 dt 1H J 52 119 \| 39 39 s 3H \| 38 38 dt 1H J 51 119 \| 38 38 s 3H \| 38 37 ddd 1H J 36 61 110 \| 36 35 m 1H \| 35 34 s 2H \| 18 16 m 2H \| 16 15 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)ccc2F)c(F)c1	ir: 1 2 3 2 2 8 4 3 10 4 4 5 11 7 5 2 11 11 3 3 1 4 7 8 5 6 4 3 8 4 4 2 1 7 7 5 5 4 3 2 2 7 4 0 6 3 2 1 2 13 4 2 3 4 100 23 6 10 86 36 8 12 39 15 62 48 13 19 31 29 16 36 24 4 6 17 5 9 4 14 15 15 7 6 3 6 23 4 5 3 22 3 3 2 6 6 10 4 2 11 3 3 7 6 5 5 2 3 5 6 6 4 3 3 4 2 5 9 6 7 8 14 7 12 10 7 10 9 9 64 24 17 34 33 30 13 16 14 5 7 10 7 9 6 3 4 5 3 3 2 3 9 12 2 5 12 3 2 21 3 21 49 4 2 2 2 2 2 2 2 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 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 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 3 3 2 3 4 4 4 3 3 5 3 3 5 6 10 13 7 8 69 39 13 4 2 3 3 3 1 4 4 4 9 21 14 17 20 15 6 7 6 6 78 47 25 24 9 3 4 4 2 2 4 3 2 2 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 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; 1HNMR: 91 91 s 1H \| 79 79 dd 1H J 47 81 \| 77 76 dd 1H J 82 101 \| 75 75 s 1H \| 67 66 m 2H \| 48 47 m 1H \| 44 43 dt 0H J 47 75 \| 43 42 dt 0H J 47 75 \| 39 38 m 7H \| 37 36 ddd 1H J 44 132 175 \| 30 28 ddddd 1H J 58 66 75 125 142 \| 28 27 dd 2H J 37 71 \| 23 22 dddd 1H J 64 95 106 130 \| 21 19 m 2H \| 18 17 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccccc1)C(CC(=O)N1Cc2cocc2C1)Cc1ccccc1	ir: 5 2 3 4 4 2 2 5 8 2 2 2 4 2 4 5 4 5 3 4 5 4 3 6 3 1 1 4 10 15 16 6 21 8 6 5 4 3 7 31 48 38 10 4 2 3 3 2 2 1 2 2 2 0 1 2 1 0 2 3 2 1 2 5 5 3 5 5 12 10 3 2 3 6 10 4 3 4 6 5 1 0 2 3 1 1 3 2 7 19 6 6 1 2 5 14 19 32 12 4 2 2 2 2 2 5 4 4 5 6 16 7 3 4 4 3 5 6 4 3 1 4 5 7 10 4 2 2 3 5 3 6 14 12 11 28 16 5 3 3 4 5 16 62 31 13 15 100 5 3 2 10 4 3 3 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 4 3 3 3 3 2 3 3 14 21 18 23 39 41 18 5 3 3 2 2 3 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 74 74 s 2H \| 74 73 m 5H \| 73 72 m 1H \| 73 72 s 4H \| 52 51 m 2H \| 46 45 s 4H \| 32 31 m 2H \| 31 30 m 1H \| 29 27 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Oc1cccc(OS(=O)(=O)C(F)(F)F)c1-c1cccc2ccccc12)C(F)(F)F	ir: 1 1 1 2 1 2 1 1 3 13 4 0 0 1 1 0 0 0 2 1 0 0 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 1 1 0 2 0 0 1 10 1 1 1 1 3 9 5 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 3 0 4 1 1 4 3 9 1 1 1 0 0 0 1 2 0 100 1 1 1 2 0 0 0 1 1 0 1 3 6 0 0 0 0 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 1 1 0 1 2 0 0 0 1 0 1 1 1 1 1 4 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 3 10 18 0 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 0 0 0 0 0; 1HNMR: 81 81 ddd 1H J 7 15 83 \| 80 79 dt 1H J 13 79 \| 79 79 m 1H \| 77 76 t 1H J 74 \| 76 75 ddd 1H J 13 70 84 \| 75 74 ddd 1H J 14 69 75 \| 74 74 m 1H \| 73 73 dd 1H J 7 71 \| 72 71 d 2H J 79	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Br)c(CC2CCN(CCc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)c1	ir: 7 10 7 3 2 3 3 3 6 8 9 4 6 13 9 3 2 1 0 2 3 1 2 2 5 1 4 6 4 10 14 12 19 8 7 9 5 3 6 2 2 2 2 3 2 2 2 2 3 5 5 4 41 47 33 32 13 4 4 3 3 2 5 4 6 4 11 7 18 6 9 5 7 6 3 3 2 2 2 11 42 3 3 2 3 12 6 17 9 3 4 2 11 5 8 6 4 18 7 8 7 8 23 68 7 4 3 5 4 4 6 1 2 2 1 2 1 2 3 5 2 4 5 2 1 5 8 11 8 8 17 7 3 1 4 2 1 4 3 4 10 5 13 7 3 2 4 3 29 18 49 79 16 68 7 7 2 2 2 1 2 9 4 2 2 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 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 1 5 3 3 2 2 2 4 3 3 3 17 21 23 15 100 26 11 9 4 4 2 2 2 1 2 3 2 2 1 1 1 2 3 2 3 2 4 5 39 66 4 4 2 0 0 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 76 76 s 1H \| 74 73 d 1H J 84 \| 73 73 m 2H \| 71 71 dp 2H J 9 74 \| 67 67 m 2H \| 38 38 s 2H \| 29 28 ddd 2H J 55 82 121 \| 28 27 m 4H \| 27 26 m 4H \| 20 18 m 3H \| 17 16 ddt 2H J 56 80 123 \| 15 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCC[C@H](CO)CCS	ir: 0 1 1 1 1 1 1 1 0 1 2 2 1 1 1 1 4 5 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 2 1 3 8 2 2 3 2 1 1 4 2 2 1 0 0 1 1 0 0 1 0 1 1 1 1 0 1 1 1 1 2 2 1 1 1 1 1 1 3 3 9 10 2 3 8 27 9 9 4 2 3 2 2 3 2 3 2 1 2 1 3 4 2 2 2 2 2 1 1 1 2 1 0 1 1 2 1 2 1 1 1 1 0 1 1 1 0 0 1 1 1 1 4 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 1 1 1 2 1 0 1 1 1 1 2 4 30 11 1 1 0 1 0 1 1 2 1 1 1 1 2 1 2 2 1 5 2 2 3 4 2 2 2 3 2 2 4 3 3 5 3 3 1 1 1 4 4 1 7 23 100 18 3 4 3 1 2 1 1 2 1 2 1 1 1 1 0 1 1 1 1 1 1 1 2 1 0 0 0 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 36 35 ddd 1H J 49 57 114 \| 34 33 ddd 1H J 48 57 115 \| 29 29 q 4H J 69 \| 26 24 m 5H \| 18 16 m 2H \| 16 15 m 1H \| 15 13 m 4H \| 12 11 dddd 1H J 68 89 101 123 \| 11 10 t 5H J 69	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(N2CCCCC2)c2occc2c1	ir: 23 32 6 30 25 7 15 4 6 14 7 5 6 5 5 5 3 4 8 5 3 7 8 5 7 8 13 7 4 4 4 4 4 5 6 5 6 5 5 6 4 4 4 4 4 5 4 4 4 6 6 6 4 4 3 4 5 4 4 3 4 4 4 4 4 4 6 5 6 5 3 3 4 4 4 3 4 4 3 7 12 11 8 7 4 4 4 5 6 7 4 7 6 4 5 4 4 5 7 4 5 5 9 11 5 5 5 5 4 4 5 7 12 8 5 5 4 4 5 4 4 3 4 3 3 3 4 4 4 4 4 4 4 4 5 6 7 5 4 4 4 4 6 5 4 3 3 4 5 4 5 6 6 6 14 25 17 8 15 29 4 5 5 13 12 0 4 6 4 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 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 4 4 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 5 4 4 4 4 5 4 4 9 7 5 5 13 19 10 9 7 8 4 3 3 3 4 3 3 3 4 3 3 4 11 9 5 4 4 3 3 4 4 3 3 7 66 100 12 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 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; 1HNMR: 78 78 d 1H J 16 \| 71 71 t 1H J 22 \| 70 70 m 1H \| 61 60 d 1H J 22 \| 53 53 s 2H \| 33 33 t 4H J 48 \| 18 17 m 4H \| 17 15 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC[C@H](Nc1nc(Cl)c(Cl)c(Nc2cc(C3CC3)n[nH]2)n1)c1ccc(F)cc1	ir: 4 2 3 2 3 2 6 5 2 5 3 3 7 10 5 5 4 3 3 3 5 3 4 9 4 5 8 4 3 3 3 9 8 5 2 2 2 2 2 2 2 2 2 3 2 2 2 2 4 2 3 4 9 15 33 17 9 3 3 1 2 3 2 1 3 3 2 4 2 3 2 3 4 5 5 3 2 3 4 2 2 1 1 2 1 2 4 3 3 5 2 5 10 3 4 6 10 9 7 9 2 2 1 2 2 2 3 4 13 5 7 6 3 2 16 4 2 1 3 4 7 3 1 2 3 2 2 1 1 1 2 2 3 4 2 1 2 7 9 3 3 1 2 2 5 12 6 16 11 10 12 100 26 8 2 2 2 3 2 2 1 10 9 4 60 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 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 8 7 5 5 5 4 8 11 6 8 2 2 1 2 1 2 2 4 2 5 2 4 2 5 6 18 15 83 7 18 12 3 3 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; 1HNMR: 96 95 s 1H \| 93 93 s 1H \| 73 73 m 2H \| 71 70 m 2H \| 65 64 d 1H J 79 \| 63 63 s 1H \| 52 51 m 1H \| 43 42 dt 1H J 53 123 \| 41 40 dt 1H J 52 123 \| 34 34 t 1H J 54 \| 19 18 m 1H \| 11 10 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.
CC1CC(C)(C)CC(C#N)(NNC(C)(C)C)C1	ir: 4 3 3 5 6 4 5 6 8 8 14 23 11 6 9 9 7 9 4 5 6 7 4 4 8 15 9 10 11 10 25 11 5 9 9 8 11 14 14 15 11 17 21 6 19 14 9 9 9 4 9 4 6 8 7 3 4 4 4 3 12 5 10 10 6 7 3 2 2 2 2 2 4 2 2 3 2 3 2 2 3 3 2 2 3 6 3 2 3 3 3 4 4 3 3 6 5 4 4 3 5 3 4 3 7 4 2 6 13 7 2 6 8 4 0 6 10 12 7 26 34 65 10 56 100 20 41 68 26 54 29 19 7 20 19 21 9 16 13 27 10 6 5 4 4 3 3 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 1 2 5 6 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 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 1 2 2 2 2 2 2 2 2 2 2 2 2 3 2 1 2 3 3 7 3 4 6 4 6 3 3 4 7 5 7 23 39 8 4 3 4 3 5 4 7 3 2 3 5 10 5 7 8 19 32 29 29 50 53 65 55 33 16 11 12 2 4 3 3 3 4 3 2 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 1 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2; 1HNMR: 36 35 d 1H J 49 \| 32 31 d 1H J 48 \| 21 20 m 2H \| 18 17 m 3H \| 15 14 dd 1H J 46 128 \| 13 12 dd 1H J 46 128 \| 13 12 s 9H \| 11 10 s 2H \| 10 9 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cc(F)ccc1Oc1cnc(N)nc1N	ir: 4 4 5 5 5 5 7 5 6 4 8 3 4 7 6 3 3 5 7 4 4 2 3 3 3 3 2 2 1 3 3 8 4 2 5 6 7 24 18 60 13 10 11 16 10 4 7 5 5 4 2 2 3 3 18 32 6 2 2 3 1 1 1 2 2 2 3 8 6 3 3 1 2 1 1 3 4 3 1 1 1 1 1 1 1 1 1 2 1 1 1 1 3 7 2 1 1 1 1 2 1 2 2 1 1 2 3 1 2 3 1 1 1 1 1 2 1 1 2 1 1 2 2 1 5 1 2 1 2 7 1 3 2 2 2 1 2 2 3 3 5 8 9 15 30 59 9 14 17 14 11 13 34 13 10 3 2 3 8 6 2 3 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 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 1 0 0 0 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 3 2 2 26 5 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 5 25 11 1 2 1 3 1 1 1 2 3 1 67 100 6 3 2 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 s 1H \| 70 69 m 2H \| 69 68 dd 1H J 47 84 \| 63 62 s 2H \| 61 60 s 2H \| 32 31 pd 1H J 9 68 \| 13 12 d 6H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(OCC(F)(F)F)nc3)cc2)CO1	ir: 1 4 3 3 4 2 2 2 2 2 3 10 1 2 4 5 3 4 9 2 6 3 5 3 3 3 3 1 3 3 2 1 1 4 7 9 18 10 5 3 1 1 1 1 1 1 14 20 20 4 2 2 4 7 26 5 5 11 4 3 2 5 2 1 2 3 9 5 4 3 26 6 5 2 7 1 2 2 1 1 1 2 2 5 4 2 1 1 6 8 4 2 10 4 2 3 3 2 3 2 2 9 7 3 7 17 10 7 2 3 12 12 9 2 3 16 5 3 5 5 10 7 2 3 4 3 4 10 3 6 3 1 26 9 3 2 5 100 6 7 4 0 1 4 3 2 11 12 3 2 5 4 7 1 2 1 5 11 5 8 2 1 1 1 6 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 3 2 4 3 2 1 1 2 5 3 3 6 8 12 55 38 9 3 1 2 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 83 d 1H J 19 \| 78 77 dd 1H J 19 81 \| 76 76 m 2H \| 75 74 m 3H \| 72 71 m 2H \| 69 68 d 1H J 81 \| 54 54 m 1H \| 50 49 q 2H J 130 \| 48 47 dd 1H J 42 97 \| 46 45 dd 1H J 42 99	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCNC(C)C(C)(C)C(=O)OCC	ir: 6 2 3 2 1 2 3 3 2 5 5 4 6 3 3 4 2 1 1 1 0 0 1 0 1 2 1 1 2 1 1 0 0 1 1 0 1 1 2 1 2 3 6 20 7 5 11 5 5 1 1 3 4 5 5 2 1 4 1 2 2 0 2 7 5 4 3 4 1 1 3 3 7 6 13 19 1 3 3 2 14 1 2 2 5 4 2 1 1 1 2 6 1 1 2 2 2 2 4 2 1 2 2 1 2 2 5 6 13 36 8 21 14 15 9 6 6 11 4 7 6 11 5 2 1 3 4 5 5 8 4 6 3 4 9 6 26 10 5 4 3 2 4 8 13 25 8 5 3 1 1 2 1 1 1 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 0 0 0 0 0 0 0 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 1 0 0 0 1 1 1 2 1 2 1 1 2 4 3 1 1 2 1 3 3 6 7 12 8 4 2 2 1 1 1 1 1 1 2 2 1 1 3 3 1 2 5 3 11 36 100 25 9 2 4 2 2 1 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 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0; 1HNMR: 42 41 m 4H \| 36 35 dt 1H J 46 83 \| 33 32 tddt 1H J 15 53 68 82 \| 30 29 m 1H \| 29 28 dtd 1H J 47 54 137 \| 26 24 m 2H \| 13 13 d 3H J 16 \| 13 12 m 9H \| 11 11 d 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@@H](C(=O)NCc3ccccc3)C[C@H]2C)n1	ir: 9 10 18 12 7 3 8 10 5 5 10 7 6 12 13 6 14 22 8 8 7 2 10 20 12 11 7 5 6 11 13 9 39 24 6 36 12 20 9 4 37 10 6 4 3 5 3 8 4 5 7 36 100 10 9 2 2 3 3 1 2 7 2 2 3 49 17 9 7 3 3 4 4 3 3 3 2 5 11 5 4 3 1 2 4 1 1 1 5 9 9 1 3 3 4 2 2 7 21 15 12 6 2 4 4 5 4 5 6 6 19 11 21 7 3 8 5 4 6 12 9 13 6 3 10 16 10 4 4 6 5 5 6 6 4 10 5 61 7 7 4 12 27 40 12 22 48 62 53 15 11 19 87 18 77 6 19 8 28 52 10 11 8 2 2 5 3 4 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 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 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 2 1 1 2 2 1 2 2 2 1 3 2 2 3 4 5 5 6 11 15 22 54 21 20 4 2 4 4 3 1 2 2 1 2 3 3 2 4 7 19 15 12 9 10 15 15 52 59 45 14 13 16 63 9 5 2 2 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 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; 1HNMR: 81 80 m 2H \| 78 78 dd 1H J 22 97 \| 74 72 m 7H \| 67 67 s 1H \| 59 58 s 2H \| 57 56 q 1H J 48 \| 44 43 m 2H \| 42 41 ddd 1H J 19 34 137 \| 41 40 dtt 1H J 54 70 86 \| 40 39 dd 1H J 51 137 \| 31 30 m 4H \| 23 22 ddd 1H J 42 52 130 \| 20 19 ddd 1H J 62 70 131 \| 12 12 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2Cl)cc1Oc1ccc2nc(N)sc2n1	ir: 1 6 5 2 0 8 5 8 7 8 7 9 1 11 4 5 3 2 3 5 6 2 4 1 1 2 2 2 5 2 2 3 2 3 3 1 2 7 8 14 20 13 6 3 5 0 2 3 4 4 4 5 4 6 28 8 2 1 1 1 1 1 1 1 1 1 2 4 6 3 1 2 1 1 1 1 4 1 10 1 2 1 1 5 1 1 1 1 2 2 1 1 1 1 1 1 2 12 10 24 9 1 1 1 4 2 7 2 1 1 1 1 2 2 2 8 13 5 1 1 3 3 1 1 1 1 1 2 2 2 2 5 15 22 4 4 10 14 3 4 3 1 1 3 4 5 10 6 3 0 34 17 40 100 19 6 3 5 6 5 1 3 6 15 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 2 16 14 2 3 2 3 1 1 1 1 1 1 1 1 1 1 1 2 10 19 3 3 2 7 15 9 4 2 3 9 10 44 27 3 1 1 1 1 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; 1HNMR: 90 89 s 1H \| 77 77 m 3H \| 74 74 dd 1H J 21 80 \| 73 73 dd 1H J 76 107 \| 72 71 dq 1H J 10 79 \| 71 71 s 2H \| 69 69 d 1H J 22 \| 67 67 d 1H J 73 \| 22 22 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc2c(c1)N(CC(F)(F)F)C(=O)C21CCc2cncn21	ir: 1 10 4 3 4 11 21 2 1 3 3 2 4 3 2 7 2 1 2 0 1 1 2 3 1 1 1 1 1 1 1 1 6 6 9 2 1 2 5 4 5 2 18 3 1 1 1 1 1 3 6 2 1 1 3 3 10 7 1 2 7 2 1 2 1 3 29 4 16 9 2 2 2 8 1 2 1 2 2 7 1 1 2 4 10 6 2 9 4 2 1 3 9 9 8 13 8 4 1 2 2 8 3 1 4 6 3 7 3 2 8 6 31 10 3 2 4 5 7 22 7 9 5 3 3 4 8 4 15 9 1 1 1 5 3 1 2 1 0 1 1 0 2 2 1 1 15 2 2 1 11 3 2 69 5 0 1 1 1 1 18 1 1 0 1 1 1 0 1 1 0 1 1 0 1 1 1 1 1 1 1 1 0 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 3 3 3 7 9 4 5 4 2 3 3 4 53 12 15 32 47 100 6 5 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 78 78 dd 2H J 19 116 \| 76 76 d 1H J 76 \| 75 75 dd 1H J 21 76 \| 71 70 dt 1H J 9 19 \| 45 44 qd 2H J 49 128 \| 32 31 dddd 1H J 8 50 68 156 \| 30 29 dddd 1H J 7 51 70 157 \| 28 27 ddd 1H J 50 70 130 \| 25 24 ddd 1H J 51 70 132	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C(=O)C(C)C)c1	ir: 3 6 3 6 8 4 2 4 6 3 4 3 9 5 4 6 5 4 6 5 7 10 24 12 14 14 17 13 29 14 35 16 16 5 5 9 12 20 21 12 35 7 10 9 19 22 13 13 8 23 20 18 7 10 7 0 2 56 11 8 5 4 7 6 3 2 6 34 53 7 9 6 4 4 8 6 12 8 2 1 2 1 1 4 0 81 3 4 7 20 5 2 5 3 0 2 2 2 4 8 31 6 3 18 33 24 70 38 47 4 12 5 1 5 9 4 1 23 14 4 9 10 23 13 7 4 1 3 5 2 5 9 5 9 15 11 17 4 2 4 8 100 29 4 2 3 4 10 94 15 6 14 6 32 10 7 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 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 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 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 3 1 1 2 1 1 2 3 1 2 2 4 3 7 7 7 4 16 12 25 8 6 2 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 4 5 4 6 20 51 38 19 42 27 8 5 2 3 1 1 1 1 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; 1HNMR: 78 78 d 1H J 68 \| 76 76 d 1H J 66 \| 75 74 d 1H J 18 \| 70 70 dt 1H J 8 15 \| 36 36 p 1H J 69 \| 24 24 s 3H \| 23 23 d 6H J 48 \| 12 11 d 7H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1)N1CCC(Oc2ccccc2-c2ccncc2)CC1	ir: 1 3 3 1 2 2 1 2 2 1 1 1 1 0 0 1 3 11 4 1 2 0 1 2 1 1 1 6 1 2 3 7 8 10 37 61 5 5 3 4 7 3 27 12 16 7 1 3 1 1 1 0 1 1 2 0 1 2 4 0 1 1 3 1 1 2 3 3 5 5 3 0 33 10 6 4 8 1 1 1 1 2 1 5 3 1 0 0 1 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 4 11 19 3 3 3 6 7 9 4 7 6 5 5 2 3 2 3 3 3 3 4 2 2 7 17 17 19 4 2 5 8 3 3 3 4 16 23 91 21 7 3 3 10 2 3 1 1 4 0 1 4 5 28 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 1 0 0 0 1 1 0 1 1 2 3 2 2 1 0 1 3 3 3 25 9 26 100 61 6 6 4 2 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 m 2H \| 76 75 m 3H \| 75 74 m 5H \| 73 73 ddd 1H J 13 75 84 \| 72 71 td 1H J 11 76 \| 70 69 dd 1H J 13 82 \| 46 45 p 1H J 45 \| 38 38 ddd 2H J 59 86 123 \| 35 34 ddd 2H J 59 86 123 \| 24 23 dddd 2H J 44 58 84 130 \| 21 20 dddd 2H J 46 59 86 132	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc2c(c1)C(c1ccccc1)C(=O)N2	ir: 1 1 2 2 1 1 1 1 0 1 0 1 1 1 1 4 5 5 4 2 1 3 9 5 2 2 2 2 4 1 4 7 3 6 1 2 3 3 6 14 7 8 1 1 1 1 1 0 0 1 1 1 1 14 15 3 3 2 1 0 1 1 2 2 2 4 3 4 6 11 1 1 2 5 1 2 1 2 2 1 0 0 0 0 2 1 1 1 1 2 4 1 1 1 0 1 1 2 3 1 2 5 1 1 1 0 1 4 5 2 1 1 1 1 1 1 2 1 2 1 2 1 3 1 2 1 1 1 2 2 1 1 6 1 1 10 1 1 1 0 1 6 5 19 2 2 1 1 1 5 0 1 2 2 1 9 100 11 2 2 1 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 1 3 1 2 6 4 3 32 15 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 2 4 3 2 39 5 1 1 1 2 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 s 1H \| 74 73 m 7H \| 71 71 dt 1H J 6 23 \| 69 68 dd 1H J 22 92 \| 52 52 d 1H J 8 \| 41 41 q 2H J 66 \| 15 14 t 3H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(C)c1cc(C)c2c(c1O)C(NC)C1CCCCC21	ir: 7 4 3 4 10 11 17 76 23 17 23 4 3 3 8 3 2 3 4 3 7 4 1 2 4 2 4 2 2 2 5 2 4 5 1 2 1 11 11 3 8 4 7 17 3 1 1 2 4 7 32 35 6 8 7 12 12 3 4 2 2 3 5 3 30 9 5 10 2 2 31 23 7 20 19 13 18 41 7 4 15 3 13 10 7 3 3 4 18 21 15 6 2 1 2 6 9 6 10 37 14 4 6 3 2 1 3 2 2 8 4 27 5 6 14 18 46 82 15 9 5 8 4 6 2 3 2 2 8 5 2 12 11 7 3 2 1 2 9 7 21 11 5 2 2 3 2 3 2 1 1 1 12 6 1 0 1 1 1 1 1 3 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 2 3 2 3 3 3 4 15 5 4 12 12 5 11 9 5 2 7 9 5 9 56 59 31 6 1 0 2 3 1 1 3 8 86 100 59 7 3 2 0 0 2 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 0 1 1 1 0 1 1 2 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 70 69 t 1H J 7 \| 69 68 s 1H \| 61 59 m 1H \| 53 52 dt 1H J 23 168 \| 51 51 dt 1H J 22 114 \| 43 43 p 1H J 50 \| 40 39 ddq 1H J 16 55 70 \| 36 35 m 1H \| 29 29 dt 1H J 42 68 \| 24 24 dd 3H J 16 49 \| 23 22 m 1H \| 23 22 s 3H \| 21 20 m 1H \| 19 18 dddd 1H J 41 61 86 137 \| 17 14 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(OCCCCl)cc1O	ir: 3 2 1 3 2 2 1 2 3 3 2 3 2 2 6 3 2 3 3 6 3 3 2 5 4 4 2 2 3 1 2 3 3 2 3 2 4 10 5 4 2 1 1 2 2 2 1 2 2 2 2 1 3 6 51 15 2 0 2 3 2 1 2 3 2 1 4 9 8 10 8 4 3 2 3 2 2 2 2 3 5 35 66 25 14 5 4 3 2 2 2 2 1 1 2 1 1 1 2 2 2 2 2 2 2 2 4 2 1 1 2 3 1 2 2 3 2 3 8 3 5 3 2 6 3 4 4 4 13 3 2 1 1 3 2 3 8 3 2 1 1 1 1 1 1 2 1 4 4 2 3 17 6 14 15 4 2 2 2 1 2 3 9 5 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 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 2 2 3 2 2 2 2 3 3 5 3 1 3 2 2 1 2 2 2 2 5 1 7 10 11 11 20 14 4 5 4 1 9 53 100 18 5 3 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 d 1H J 83 \| 67 66 dd 1H J 24 82 \| 65 65 d 1H J 22 \| 41 41 t 2H J 50 \| 38 37 t 2H J 38 \| 26 26 s 3H \| 22 22 tt 2H J 37 49	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@H](NC(=O)c1cc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)no1)C(=O)O	ir: 7 4 3 3 6 2 2 4 9 8 11 10 12 14 15 12 7 19 15 36 61 25 20 11 25 7 9 12 15 23 13 3 4 6 10 9 7 5 6 14 17 71 44 63 24 16 8 14 5 9 6 7 6 19 36 82 33 28 18 8 4 3 4 5 5 3 3 5 3 9 5 5 5 9 16 6 9 17 24 27 17 8 8 11 6 9 9 6 2 2 4 4 2 3 6 8 5 3 5 5 3 7 10 5 31 3 7 8 5 6 6 5 2 3 4 2 2 4 6 4 10 6 7 5 7 11 5 7 15 5 6 6 2 3 4 3 2 7 19 13 5 13 41 18 12 24 67 4 11 23 27 26 97 95 50 6 5 9 11 0 2 6 25 2 4 4 3 0 2 3 2 0 2 4 2 0 2 3 1 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 0 1 3 2 0 1 3 2 0 2 3 2 1 2 3 1 0 2 4 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 2 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 3 6 4 1 4 8 4 24 21 54 56 21 14 6 4 7 3 8 100 70 18 7 3 5 4 4 2 2 4 5 16 11 27 61 76 25 10 8 4 1 4 4 1 2 4 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 3 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 1 3 2 1 1 3 2 1 2 3 2 1; 1HNMR: 87 86 s 1H \| 86 85 s 1H \| 79 78 d 1H J 108 \| 77 77 m 2H \| 77 76 m 2H \| 74 73 m 3H \| 70 69 m 2H \| 42 42 ddp 1H J 15 68 113 \| 22 21 dq 1H J 66 132 \| 10 9 ddd 6H J 15 65 93	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(Cc1ccncc1)Cc1ccncc1	ir: 2 3 7 3 4 4 5 3 6 55 39 12 16 9 8 9 2 4 4 11 11 5 5 3 1 4 4 1 5 14 4 3 6 10 4 3 2 4 3 1 5 4 18 17 3 7 7 2 3 4 3 0 2 4 2 0 2 5 3 0 2 4 6 20 15 5 2 0 5 19 14 11 38 30 21 16 7 6 1 1 3 4 2 1 3 3 1 1 27 30 12 3 5 6 2 2 11 15 16 9 5 3 1 2 6 3 2 6 7 4 15 23 8 3 1 3 5 4 7 9 9 12 13 13 9 3 0 4 7 7 1 4 5 2 1 3 4 1 1 3 4 2 1 13 22 5 8 19 7 2 2 4 4 0 2 3 3 1 3 40 77 9 3 4 3 1 2 4 2 0 2 4 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 3 3 1 1 3 3 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 0 2 3 1 0 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 3 1 1 3 3 1 2 3 3 3 8 5 4 4 8 4 5 4 12 13 36 100 18 31 7 6 3 4 2 2 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 85 85 m 4H \| 71 71 dt 4H J 9 45 \| 36 36 s 2H \| 31 31 m 4H \| 29 28 ddt 2H J 9 104 113	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2cc3c(n2)CC(F)(F)Cc2sc(Nc4nccc(C)n4)nc2-3)cc1	ir: 9 12 2 4 6 6 13 8 8 3 5 10 7 6 10 10 4 10 3 5 6 4 2 3 4 2 2 4 4 3 3 6 4 2 2 6 6 5 5 8 5 3 4 9 4 6 8 6 7 11 7 13 9 12 23 38 43 4 7 8 5 2 4 6 5 10 6 4 3 9 8 6 10 58 13 11 25 22 5 4 3 6 4 4 5 4 16 7 6 6 7 19 3 3 9 5 13 13 27 8 8 12 6 13 4 5 7 12 32 15 4 3 2 6 8 4 6 13 11 14 15 20 16 22 6 8 10 29 8 13 5 2 2 5 6 4 2 3 3 2 1 6 5 5 3 4 6 24 99 7 11 5 20 10 5 2 2 4 3 2 2 4 8 0 10 4 3 0 2 4 2 14 3 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 7 5 7 4 4 4 10 8 11 3 5 7 10 9 20 21 43 33 66 100 22 6 6 7 4 1 4 6 2 1 4 7 26 5 4 4 2 1 3 3 1 2 10 32 28 5 4 3 2 2 6 5 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 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 82 81 d 1H J 51 \| 79 79 s 1H \| 75 75 t 1H J 9 \| 73 73 dp 2H J 9 71 \| 69 69 m 2H \| 67 67 dq 1H J 9 50 \| 54 53 q 2H J 9 \| 38 38 s 2H \| 37 36 t 2H J 99 \| 34 33 t 2H J 100 \| 24 23 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CSc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1	ir: 3 2 0 10 11 9 16 27 6 5 6 5 8 10 7 4 3 7 10 14 6 1 9 9 3 2 3 2 2 1 3 4 12 3 3 6 24 5 10 34 11 10 5 4 7 2 3 2 2 0 3 8 9 29 100 59 11 10 13 6 10 2 3 6 7 30 16 38 8 5 2 3 7 1 4 4 3 18 13 3 2 1 5 16 17 53 12 8 14 28 19 11 5 10 7 26 32 27 37 36 22 11 9 6 14 16 18 17 9 6 7 12 29 17 6 6 7 5 4 17 15 11 27 11 12 10 19 4 10 5 4 4 3 4 10 10 5 4 3 7 10 2 2 4 2 10 14 8 12 33 67 7 5 13 6 2 1 4 2 1 4 3 2 13 3 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 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 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 6 1 1 3 3 3 4 3 4 4 5 8 28 16 32 26 76 61 23 10 8 5 3 2 7 4 1 1 1 2 1 0 1 2 1 0 1 2 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 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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: 82 81 d 1H J 22 \| 79 79 dd 1H J 21 83 \| 77 76 d 1H J 84 \| 76 76 dq 2H J 14 68 \| 69 69 m 2H \| 37 36 m 4H \| 32 32 m 6H \| 29 29 d 2H J 52 \| 20 19 m 1H \| 10 10 d 6H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1ccc2c(c1)-n1c(CCl)nnc1CN=C2c1ccccc1	ir: 2 3 3 2 2 3 2 2 3 1 1 9 5 2 2 1 2 1 1 1 3 2 15 6 2 1 2 1 2 1 4 13 1 3 3 3 2 2 1 5 2 2 20 0 2 2 2 2 1 1 1 0 1 2 4 7 2 1 2 1 1 1 1 1 1 2 2 1 12 12 17 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 3 1 2 1 1 2 1 0 1 13 55 4 4 4 2 2 1 1 1 1 1 1 3 0 8 2 3 3 4 10 12 4 4 4 4 8 4 5 1 2 1 2 4 1 1 20 1 1 2 5 5 17 16 3 5 100 7 5 3 21 2 1 3 1 2 1 1 4 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 1 1 1 1 1 1 1 1 1 2 3 1 2 1 1 2 2 2 4 9 9 21 44 13 13 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; 1HNMR: 79 79 dq 1H J 9 20 \| 78 77 m 1H \| 77 77 d 1H J 102 \| 75 74 m 5H \| 52 52 s 2H \| 49 49 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1(C(=O)OCC)Oc2ccc(C[C@@H](C)NC(=O)OC(C)(C)C)cc2O1	ir: 5 4 5 4 1 3 3 6 3 14 5 1 5 2 2 1 0 1 1 1 1 1 1 2 1 3 11 36 43 2 3 2 3 7 3 1 1 2 2 0 1 1 1 1 3 1 1 2 1 1 1 0 2 5 7 10 2 0 1 2 1 3 2 1 2 1 1 8 4 6 2 1 1 3 1 3 2 1 1 0 1 1 3 5 2 2 15 0 1 1 0 1 1 1 0 1 15 9 6 2 2 1 0 1 1 1 1 3 3 2 4 7 16 6 2 3 3 4 3 5 8 2 3 2 2 3 2 4 2 6 6 6 11 1 0 1 2 0 0 1 3 2 10 12 52 100 11 4 3 40 6 2 3 2 1 1 1 1 1 1 1 2 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 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 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 1 1 3 2 1 1 1 1 2 1 1 2 2 3 4 12 24 5 3 19 3 2 1 1 1 1 1 0 1 1 1 2 2 1 1 0 1 1 0 0 1 1 3 24 18 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 70 69 m 1H \| 68 68 m 2H \| 50 49 d 1H J 79 \| 44 42 m 5H \| 40 39 dh 1H J 62 77 \| 30 30 ddt 1H J 9 64 136 \| 28 27 ddt 1H J 9 62 135 \| 14 14 s 7H \| 12 12 t 6H J 60 \| 12 11 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(=O)Nc1ccc(S(=O)(=O)C2CCC(C(=O)OC)CC2)cc1	ir: 15 4 6 5 6 7 13 11 22 11 7 12 21 55 26 4 2 6 2 2 2 2 2 3 4 5 6 17 8 1 2 8 7 3 7 14 13 21 20 13 13 13 6 4 3 4 4 8 20 4 8 3 4 7 8 19 35 32 5 0 4 3 4 1 13 4 14 2 2 2 3 2 5 4 2 4 3 2 1 2 1 1 8 13 100 26 60 5 3 3 1 2 2 1 1 4 12 17 5 9 16 7 0 8 18 5 9 5 13 5 16 6 37 55 6 5 4 6 9 3 17 5 4 5 7 14 12 7 4 2 1 4 3 9 35 20 2 2 2 2 3 4 6 16 26 5 4 6 9 45 28 11 5 15 12 10 0 1 1 1 1 3 35 5 1 1 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 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 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 1 1 1 0 1 3 4 1 2 3 3 2 3 6 3 7 9 7 6 8 14 1 35 69 16 6 3 3 2 3 1 1 1 2 0 1 1 1 0 1 1 2 3 4 10 16 29 48 50 26 5 2 1 0 1 1 0 0 0 0 0 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H \| 78 77 m 2H \| 38 38 s 3H \| 37 36 s 3H \| 31 30 p 1H J 79 \| 24 23 p 1H J 63 \| 22 21 dddd 2H J 68 79 94 139 \| 21 20 ddt 2H J 66 95 124 \| 19 18 dddd 2H J 68 79 96 139 \| 18 17 ddt 2H J 65 94 124	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1	ir: 1 1 0 0 1 2 2 1 1 1 6 5 2 1 1 0 0 1 2 1 1 0 0 3 2 0 0 0 1 2 2 3 1 1 2 2 5 2 2 7 32 13 10 16 3 2 1 1 1 0 0 1 1 1 3 1 1 0 1 2 3 1 2 1 1 0 0 4 4 5 1 1 2 1 2 1 4 5 1 1 0 1 1 5 1 3 1 1 1 5 5 3 1 1 1 2 2 5 1 1 2 1 4 6 5 3 0 0 1 1 2 1 0 2 1 1 2 1 1 1 2 2 1 1 1 1 2 2 4 2 3 4 3 4 9 11 3 2 3 2 3 5 12 31 3 1 2 4 9 13 1 2 2 2 3 1 0 2 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 1 1 0 2 2 4 3 11 14 100 20 10 5 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 0; 1HNMR: 83 82 m 2H \| 80 79 m 1H \| 79 78 m 2H \| 76 75 dddd 2H J 13 70 83 277 \| 73 72 m 2H \| 73 73 s 4H \| 36 36 s 2H \| 32 31 t 2H J 63 \| 31 30 hept 1H J 65 \| 30 29 dd 2H J 60 67 \| 11 11 d 5H J 65	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(C)nc2scc(-c3cccc(C)c3)c2c1N	ir: 0 4 2 10 2 3 3 3 0 1 2 1 2 2 7 6 2 6 1 1 1 3 2 3 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 4 16 2 4 1 17 1 0 1 1 1 0 1 2 5 1 0 1 1 0 0 1 1 0 1 1 4 1 1 1 1 2 1 1 1 1 1 1 1 1 1 24 2 1 1 2 2 0 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 2 2 2 1 3 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 4 0 1 1 1 2 1 1 6 4 4 1 0 0 1 1 1 1 1 1 0 1 2 7 56 21 3 100 13 3 2 10 3 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 2 1 1 1 1 0 0 1 1 1 1 0 1 6 4 3 3 10 3 4 8 1 1 1 1 1 1 1 1 1 1 1 0 0 3 66 6 1 0 1 1 1 2 1 2 3 1 9 55 15 4 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 2H \| 74 73 q 1H J 16 \| 72 72 m 1H \| 70 70 s 1H \| 67 67 s 2H \| 43 42 q 2H J 64 \| 27 27 s 3H \| 20 19 t 3H J 7 \| 14 14 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1c(OC(=O)c2ccccc2)cccc1C(=O)OC	ir: 6 6 15 9 2 3 3 3 3 3 2 6 11 2 2 1 1 2 7 4 2 2 4 2 2 3 2 2 4 6 21 18 7 2 1 4 3 4 3 3 6 10 6 6 6 2 8 9 4 25 4 1 3 2 1 2 1 1 2 1 1 1 2 2 4 5 4 9 12 12 4 1 2 1 2 5 4 4 8 4 2 2 3 1 1 1 1 1 1 1 3 1 1 1 1 14 3 2 2 4 1 1 1 1 1 1 1 2 4 4 4 4 2 2 2 3 7 7 7 10 19 7 3 14 6 3 2 1 1 2 1 1 2 2 8 4 5 2 2 5 8 14 46 46 23 28 29 5 12 5 7 0 1 2 1 0 1 5 4 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 2 2 1 1 2 2 1 3 11 17 7 23 100 27 11 4 2 3 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 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: 82 81 m 2H \| 77 77 dd 1H J 22 77 \| 76 75 m 3H \| 72 71 m 2H \| 42 42 t 2H J 49 \| 39 39 s 3H \| 37 37 t 2H J 49 \| 34 34 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C2=NOC(c3cc(Br)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1Cl	ir: 23 26 24 29 25 22 22 22 21 23 22 22 23 22 24 22 23 27 28 24 22 22 22 22 21 22 21 22 21 22 22 26 56 34 24 21 21 24 26 25 23 23 22 20 22 22 22 21 21 22 21 22 25 52 55 25 23 23 21 21 22 24 24 28 36 93 41 57 40 31 23 23 23 35 22 21 22 22 22 23 22 22 21 21 23 23 23 100 32 30 34 41 39 32 32 43 33 25 0 41 23 25 31 34 26 46 36 24 23 24 33 38 27 78 33 26 25 25 32 36 27 25 30 24 26 27 42 76 86 96 44 28 28 24 23 23 23 22 22 25 33 24 33 22 22 21 21 22 22 27 30 23 23 22 22 22 22 21 23 22 22 21 27 26 23 21 21 22 21 21 21 22 21 21 22 22 22 21 21 22 21 21 21 22 21 21 21 22 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 22 21 21 21 22 21 21 21 22 21 21 21 22 21 21 21 22 21 21 21 21 21 21 21 22 21 21 22 22 21 21 22 22 21 21 21 22 21 21 22 22 21 21 22 22 21 21 22 22 21 22 24 25 24 27 24 25 23 23 24 24 34 46 62 64 94 72 29 24 25 23 23 25 23 22 21 22 21 21 21 22 22 21 21 21 22 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21; 1HNMR: 79 78 t 1H J 22 \| 76 76 d 2H J 22 \| 75 75 dd 1H J 22 81 \| 74 74 d 1H J 22 \| 72 72 dq 1H J 10 81 \| 35 34 dq 1H J 22 163 \| 32 31 dq 1H J 24 163 \| 23 23 d 3H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(OC)=C(C(=O)CC(=O)OC)C(=O)OC	ir: 8 8 4 6 8 6 7 6 5 14 10 6 5 5 2 2 2 2 4 3 6 5 8 14 17 11 14 16 8 3 4 6 4 2 2 2 2 2 2 4 3 3 6 10 8 3 3 4 4 3 2 3 3 3 14 6 6 6 9 13 9 4 11 15 10 5 5 5 9 3 2 3 4 12 4 7 7 2 4 5 2 1 2 2 2 1 2 2 1 1 2 2 2 3 4 5 8 8 6 5 3 5 2 2 3 4 3 6 7 2 3 2 2 2 2 2 1 3 12 10 18 19 6 15 38 9 9 11 17 10 16 9 15 15 9 9 7 4 4 15 13 12 5 32 8 10 100 93 44 0 3 4 3 0 1 7 91 48 4 1 2 2 2 2 2 2 2 2 1 1 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 2 2 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 1 2 2 2 3 4 4 3 2 5 7 13 6 4 2 6 4 5 33 45 19 8 3 2 2 2 2 2 1 2 2 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 44 44 s 2H \| 38 38 m 9H \| 37 37 s 3H \| 33 33 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](CCC1CCCCC1)C[C@H](N)CC(=O)O	ir: 2 1 1 2 2 3 7 22 4 4 5 2 4 6 3 3 4 10 4 26 24 100 63 15 14 11 6 3 1 1 1 1 1 1 1 1 1 3 2 1 1 2 2 2 1 4 4 2 1 9 4 1 1 2 2 2 2 2 4 3 6 18 29 68 27 6 2 1 2 2 2 2 5 6 15 6 35 18 9 30 7 5 4 6 50 16 5 2 3 1 1 2 2 4 2 1 1 1 1 1 1 3 3 1 5 4 4 2 6 3 3 4 6 4 5 6 2 3 3 3 2 4 5 10 4 5 7 6 24 18 11 10 23 28 47 33 15 10 3 5 7 4 9 65 28 7 11 3 3 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 1 2 1 3 5 6 5 2 2 1 2 4 15 10 3 1 1 1 1 1 0 1 1 1 2 27 31 2 6 7 43 38 18 4 3 2 3 2 41 6 2 2 3 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; 1HNMR: 44 44 d 2H J 62 \| 32 31 hept 1H J 66 \| 26 25 dd 1H J 69 173 \| 23 23 dd 1H J 69 173 \| 16 10 m 19H \| 9 8 d 3H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)Nc1ccc(F)cc1)c1ccc(O)cc1F	ir: 2 2 0 2 1 1 8 6 3 3 8 10 4 2 1 2 1 1 1 5 2 2 4 2 1 4 1 1 1 1 0 1 2 0 1 1 2 4 2 2 5 17 74 5 3 2 4 0 2 1 3 2 2 7 72 34 48 15 5 1 3 1 1 1 1 1 2 27 3 12 1 1 1 1 1 6 1 2 5 4 2 22 31 11 2 3 4 6 2 2 1 2 1 2 0 1 1 1 1 2 1 11 2 3 48 2 1 1 4 1 0 1 1 1 3 1 0 1 0 1 1 1 3 1 1 4 3 2 1 3 2 1 1 0 0 1 1 0 0 1 1 0 0 1 14 8 1 2 3 78 17 23 26 46 7 2 1 2 1 0 0 1 3 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 3 3 1 20 47 19 8 4 1 1 9 5 100 4 1 2 1 1 1 1 1 1 1 1 2 4 12 19 20 11 5 1 1 1 1 1 1 1 1 1 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 s 1H \| 80 80 s 1H \| 74 73 m 3H \| 70 69 m 2H \| 67 66 dd 1H J 23 87 \| 65 65 dd 1H J 21 121 \| 34 34 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2ccncc2)cc1CNC1CCC(CNC(=O)OC(C)(C)C)CC1	ir: 6 5 3 3 5 3 5 7 2 6 8 6 3 3 3 3 2 2 3 3 2 5 6 2 4 11 13 12 56 15 10 5 7 8 5 4 6 9 10 8 3 1 2 6 10 8 11 9 5 3 2 3 4 7 13 6 10 4 20 16 8 12 10 14 8 5 5 15 11 10 8 15 26 16 7 6 3 2 3 1 1 1 2 2 1 0 2 3 1 0 1 2 3 4 2 1 1 4 1 1 2 2 4 5 10 6 7 3 5 9 5 13 5 4 25 8 21 14 14 26 15 5 4 6 7 6 5 5 8 12 16 8 23 21 5 1 6 1 1 1 4 6 12 16 28 100 50 23 6 10 29 12 3 4 3 2 2 3 10 8 1 1 1 1 3 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 1 0 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 2 1 1 1 1 3 2 1 1 4 2 4 6 15 16 9 17 18 33 9 6 4 3 2 1 0 1 1 1 1 2 1 1 1 2 4 17 61 17 6 16 39 34 12 6 1 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 m 2H \| 76 75 m 2H \| 75 75 dt 1H J 9 20 \| 75 74 dd 1H J 22 84 \| 70 69 d 1H J 84 \| 48 47 t 1H J 60 \| 39 39 dd 2H J 9 55 \| 38 38 s 2H \| 32 31 dd 2H J 43 60 \| 32 31 dt 1H J 55 66 \| 28 27 dp 1H J 46 66 \| 20 19 pt 1H J 43 62 \| 17 16 m 4H \| 15 13 m 4H \| 14 14 s 10H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCCOC(=O)c1c(OC)cc(OC)cc1OCCCC=C	ir: 4 5 7 21 18 15 8 3 4 3 2 2 3 2 2 2 2 2 2 6 3 8 10 5 11 9 15 5 7 10 6 5 5 2 2 2 2 1 1 4 1 2 1 1 1 1 1 2 1 0 1 1 2 0 3 5 3 2 2 3 2 2 2 3 9 11 34 39 36 69 36 18 20 32 8 11 5 13 11 5 4 4 2 2 2 3 1 1 2 6 8 8 3 2 1 1 2 1 1 1 2 3 3 5 4 43 24 14 20 10 17 31 12 4 7 4 5 6 11 7 5 8 5 3 4 6 4 3 6 3 5 6 8 10 11 16 31 12 17 19 7 8 5 2 4 11 3 7 10 12 4 3 1 2 1 4 10 14 4 3 3 19 23 2 3 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 0 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 1 1 1 1 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 6 9 4 3 5 14 12 15 30 20 18 26 17 19 29 100 41 18 29 16 6 11 16 16 6 4 4 1 2 1 1 1 1 1 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0; 1HNMR: 64 63 d 1H J 22 \| 63 63 d 1H J 22 \| 58 57 m 2H \| 51 50 m 2H \| 50 49 ddt 2H J 12 23 171 \| 43 42 t 2H J 68 \| 40 40 t 2H J 68 \| 39 39 s 2H \| 38 38 s 2H \| 22 20 m 4H \| 18 17 m 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(N)ccc1-n1cnc(C)c1	ir: 10 5 1 6 5 2 1 2 5 2 2 2 3 2 1 3 5 4 9 7 5 3 4 5 6 4 9 5 7 3 3 3 3 1 2 2 2 0 1 2 2 1 4 6 6 2 5 2 2 3 4 3 2 1 1 2 1 0 1 2 6 27 8 24 7 4 1 4 4 11 5 6 9 7 7 10 3 1 3 2 1 3 3 6 12 10 56 100 4 3 7 13 28 2 8 6 1 13 16 6 7 3 3 2 1 1 2 2 13 4 7 9 5 2 3 2 5 5 8 7 1 4 3 1 1 3 8 11 3 2 2 1 1 1 2 1 1 2 7 1 1 2 2 6 11 9 3 1 2 2 1 1 2 10 16 68 31 5 5 1 1 2 2 0 3 1 18 70 2 2 1 0 1 3 17 3 2 2 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 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 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 3 3 2 1 1 2 2 1 3 3 5 12 6 15 28 11 19 51 35 83 16 5 2 0 2 2 1 1 2 2 1 0 2 2 0 12 32 3 1 1 1 1 1 0 2 2 2 9 21 13 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 79 d 1H J 16 \| 78 78 d 1H J 77 \| 72 72 dd 1H J 9 15 \| 64 64 d 1H J 79 \| 64 63 s 2H \| 40 40 s 3H \| 23 23 d 3H J 7	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(=O)N1CCC[C@@H]1COc1cccc2c1C(N)=NS(=O)(=O)N2	ir: 4 7 3 18 12 9 4 6 1 7 5 11 9 5 8 14 4 9 8 6 10 21 12 8 4 11 6 4 3 6 4 6 8 3 4 2 3 7 3 4 6 4 4 9 6 14 12 20 40 14 8 13 37 20 48 41 24 21 48 32 16 10 10 7 5 5 6 2 11 30 24 9 5 4 7 5 4 3 6 4 8 12 5 4 6 52 100 6 5 2 1 2 3 16 4 3 2 3 2 3 5 5 11 15 14 46 4 4 3 11 22 21 5 10 6 4 4 3 5 4 6 8 7 10 24 31 16 12 6 22 26 11 7 11 1 23 18 33 38 18 7 39 19 27 11 8 8 15 6 4 17 10 3 3 2 1 2 3 25 78 10 2 2 0 1 2 2 1 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 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 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 2 1 1 2 1 0 1 1 1 1 3 2 2 2 2 4 3 2 2 4 1 4 4 3 10 2 8 25 15 4 2 2 1 1 1 2 1 1 2 2 1 0 2 3 1 2 19 78 7 4 4 7 7 43 79 31 10 21 53 31 4 2 1 1 2 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 0 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 97 96 s 1H \| 73 72 m 3H \| 71 70 dd 1H J 11 82 \| 66 65 dd 1H J 13 80 \| 43 42 dd 1H J 54 108 \| 41 40 m 2H \| 36 35 dddd 1H J 18 33 51 121 \| 35 34 ddd 1H J 33 51 119 \| 24 23 m 2H \| 21 20 m 1H \| 20 17 m 3H \| 17 16 dtd 2H J 67 77 145 \| 10 9 t 3H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(Nc2cnn(C)c2)nc1NC1CC2CN(C(=O)OC(C)(C)C)CC2C1	ir: 13 13 6 7 14 10 10 7 8 12 20 9 7 7 8 83 24 8 8 7 9 5 4 5 7 5 8 11 6 5 5 6 8 9 5 13 8 27 79 83 12 10 11 8 6 8 5 4 4 5 5 4 4 5 5 5 5 7 8 5 5 7 7 9 13 6 19 8 6 5 6 5 4 4 6 4 4 5 4 4 4 4 3 4 4 5 5 6 6 4 7 30 5 6 4 4 9 5 5 5 6 6 7 7 15 7 0 53 6 6 5 6 10 7 12 8 9 9 6 9 7 6 7 8 11 7 9 19 18 19 8 9 8 9 4 5 4 4 5 10 8 8 6 5 5 4 4 12 7 4 8 17 32 100 17 4 5 16 6 3 4 11 6 5 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 3 4 4 4 4 3 4 4 4 4 3 4 4 4 3 4 4 4 4 3 4 4 4 4 4 3 4 4 3 4 3 3 3 3 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 5 5 6 5 7 7 6 8 20 6 5 4 4 6 5 5 7 5 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 6 12 11 11 31 26 5 5 5 4 4 5 4 4 4 4 4 3 4 4 4 3 3 4 4 3 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 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 4 3 4 4 3 3 4 4 3 3 4 3 3 3 4; 1HNMR: 88 87 s 1H \| 80 80 d 1H J 8 \| 73 73 d 2H J 76 \| 63 63 d 1H J 71 \| 41 40 dp 1H J 57 73 \| 39 38 s 3H \| 38 37 m 2H \| 35 34 m 2H \| 26 25 m 2H \| 24 24 s 3H \| 22 21 ddd 2H J 49 58 132 \| 20 19 ddd 2H J 48 57 132 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c2cccc(Br)c2c2c(CC(=O)O)nn(-c3ccccc3)c(=O)c21	ir: 2 2 2 2 2 3 2 3 4 5 4 4 4 8 2 6 10 6 4 9 30 33 13 3 2 4 3 8 5 3 4 6 5 3 2 3 4 1 7 4 3 3 10 6 4 9 18 5 5 8 9 2 3 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 4 4 2 2 2 2 3 3 4 6 12 24 3 5 4 2 3 4 3 3 2 12 2 2 5 4 3 3 4 3 3 3 2 2 2 3 2 2 2 3 4 3 2 2 2 2 2 2 2 2 2 2 2 3 2 3 2 3 4 4 3 8 3 3 2 3 5 6 5 18 4 10 5 11 15 41 22 5 3 3 3 4 3 6 5 2 2 2 3 2 2 4 3 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 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 3 3 4 5 6 5 13 24 15 4 4 4 2 4 3 0 100 43 25 6 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 77 77 m 2H \| 76 76 dd 1H J 13 75 \| 75 74 m 3H \| 73 72 m 2H \| 41 40 s 2H \| 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)CCCC(=O)N1C[C@H](CCl)c2c1cc(OCc1ccccc1)c1ccccc21	ir: 3 3 2 1 1 1 3 1 3 1 2 3 8 8 4 4 7 2 6 9 18 62 16 9 7 3 5 2 0 6 9 4 6 19 2 2 10 3 5 5 44 3 1 4 11 2 8 3 2 0 1 3 2 0 0 1 0 0 3 1 1 1 2 3 1 2 8 17 11 7 3 2 4 1 1 1 6 8 11 17 6 7 1 2 7 1 1 3 12 3 1 1 1 2 1 2 2 6 4 4 4 2 4 3 1 1 1 0 1 0 5 8 2 10 2 3 3 4 5 6 7 4 2 3 1 2 2 1 2 2 6 3 5 9 6 11 11 6 2 2 3 2 15 20 21 6 3 1 1 27 4 11 11 2 1 0 1 1 0 0 0 1 11 11 7 1 6 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 1 3 5 3 6 2 2 1 3 4 1 3 15 11 22 100 27 12 5 1 1 2 2 1 11 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 1H \| 80 80 m 1H \| 78 78 s 1H \| 77 76 td 1H J 12 79 \| 74 73 m 6H \| 73 73 ddt 1H J 15 60 78 \| 52 51 t 2H J 8 \| 45 44 dd 1H J 21 116 \| 42 42 dd 1H J 40 117 \| 41 40 dd 1H J 31 109 \| 40 39 dtd 1H J 22 31 40 \| 38 38 dd 1H J 31 108 \| 25 24 m 4H \| 20 19 tt 2H J 79 93	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCCc2cc(O)ccc2C1	ir: 5 4 5 8 13 8 11 7 9 11 10 20 31 13 14 7 6 6 17 6 5 4 5 4 4 4 4 4 3 4 4 4 3 3 3 3 3 3 5 3 9 5 4 4 4 4 5 5 5 13 6 4 4 4 12 23 4 4 5 4 4 3 8 5 5 5 19 8 4 8 3 3 4 3 5 4 4 4 5 7 13 100 21 10 9 17 15 24 3 6 5 7 7 6 0 20 5 5 4 5 3 4 5 5 4 3 5 7 4 5 9 5 6 11 10 7 7 11 13 8 5 4 9 10 5 32 12 6 6 6 9 23 7 6 9 9 18 6 6 4 5 4 10 7 4 3 3 4 5 5 30 65 6 17 7 3 3 4 3 3 3 6 12 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 4 4 3 4 6 5 4 5 5 4 3 5 6 5 5 5 11 40 10 16 22 16 3 5 5 4 3 6 55 13 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 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; 1HNMR: 69 69 dt 1H J 9 90 \| 66 66 dd 1H J 22 90 \| 65 65 dt 1H J 9 20 \| 64 64 s 1H \| 45 44 d 2H J 8 \| 35 34 t 2H J 65 \| 28 27 td 2H J 9 89 \| 20 19 tt 2H J 65 89 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(C)cc(F)cc1C#N	ir: 6 8 13 9 20 23 6 22 11 8 5 5 5 7 20 15 17 19 7 6 4 14 4 4 5 4 3 4 4 6 3 3 3 3 3 4 8 4 3 6 16 14 17 3 4 3 3 3 3 3 3 3 3 3 3 3 3 13 6 5 6 6 4 2 43 0 7 15 47 6 18 16 11 3 6 12 7 5 10 12 5 4 3 3 2 3 3 3 3 3 3 3 3 3 3 9 11 4 3 3 4 4 3 4 6 6 13 30 26 11 7 72 7 8 6 5 7 12 11 5 3 4 4 5 5 4 3 4 4 4 4 8 5 4 22 50 4 8 4 4 3 3 3 14 4 34 25 19 8 23 5 5 5 12 32 6 4 6 5 12 100 3 3 2 2 3 3 2 3 3 3 2 3 4 3 2 3 3 3 3 3 3 8 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 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 3 3 3 3 3 3 3 4 6 4 3 3 3 3 3 3 4 4 3 4 5 8 17 24 22 63 64 6 6 10 4 3 7 5 3 2 3 4 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 74 73 dd 1H J 22 121 \| 71 70 m 1H \| 39 39 s 3H \| 25 25 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc([C@@H](C)O)on1	ir: 3 7 9 12 3 9 4 6 5 7 8 5 5 8 6 3 3 3 4 3 1 3 3 2 2 3 3 2 4 3 3 1 1 4 2 2 1 3 2 1 1 3 2 1 2 2 3 1 2 4 2 2 3 4 4 2 4 5 2 0 2 4 4 3 6 8 14 13 10 18 30 23 11 1 14 6 10 9 7 2 4 4 4 21 35 12 24 36 100 76 49 8 14 10 10 9 7 4 0 3 5 3 1 2 4 5 1 3 5 4 2 2 4 2 0 2 6 5 5 5 8 3 2 6 4 3 4 13 9 16 7 7 5 2 1 3 3 5 7 19 4 1 2 2 2 1 1 2 3 3 2 4 3 3 44 61 12 1 1 2 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 2 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 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 0 1 2 1 0 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 3 4 3 5 4 2 2 5 5 1 4 6 4 6 7 3 10 29 44 61 23 6 7 8 5 10 11 6 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 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 64 63 d 1H J 14 \| 50 49 m 1H \| 44 44 d 1H J 55 \| 23 23 s 3H \| 16 15 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(NCc1ccccn1)c1ccc(C(F)(F)F)cc1C(F)(F)F	ir: 7 11 8 6 9 2 1 1 1 1 0 1 3 1 0 4 5 1 2 4 2 1 1 4 8 4 8 9 10 3 1 5 16 5 23 34 26 43 26 20 14 68 50 4 4 2 4 6 6 3 6 4 5 8 18 35 12 2 3 2 1 0 1 1 8 8 28 39 8 9 5 2 1 1 4 1 1 1 2 4 1 3 3 1 0 1 1 2 4 5 2 1 1 1 0 1 3 6 14 100 4 6 4 4 7 3 1 1 2 3 5 13 2 7 74 10 5 3 3 4 3 12 18 7 9 3 5 9 32 3 5 2 3 6 26 41 22 15 27 5 2 3 4 4 9 12 10 13 4 4 11 3 8 5 6 2 13 12 3 2 1 1 1 1 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 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 1 1 1 1 2 3 1 2 1 1 1 1 1 1 3 15 41 26 34 19 3 3 2 0 1 2 1 1 1 1 1 1 1 1 1 1 2 3 2 3 18 25 22 20 8 3 2 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 85 84 dd 1H J 17 41 \| 81 81 ddd 1H J 8 15 21 \| 80 80 t 1H J 55 \| 80 79 d 1H J 106 \| 79 78 ddq 1H J 13 25 106 \| 77 76 td 1H J 16 75 \| 74 73 dq 1H J 11 77 \| 72 72 ddd 1H J 14 41 73 \| 47 46 dd 2H J 8 54	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C1OC=NC1C(=O)OCC)C(C)(C)C	ir: 11 19 10 13 10 4 5 6 1 8 6 14 6 18 28 7 5 5 7 3 1 4 9 21 77 22 5 1 1 3 3 2 6 6 9 12 3 11 13 1 2 4 3 1 2 6 6 2 3 5 3 1 2 5 9 7 5 6 3 0 2 8 4 5 8 8 3 0 5 8 8 10 27 30 35 62 56 10 7 3 4 3 3 2 8 26 47 8 7 3 1 1 4 3 2 3 4 4 3 10 8 3 4 33 11 3 4 15 34 26 22 12 7 34 8 11 11 7 7 30 26 7 8 3 7 6 1 5 14 7 3 7 6 12 7 10 11 3 2 4 3 1 3 4 3 100 83 13 4 3 3 9 13 4 2 4 3 1 3 5 13 12 9 6 4 1 3 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 1 1 2 3 1 0 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 2 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 2 3 3 2 2 4 6 5 5 3 3 1 4 5 3 6 15 33 29 12 28 22 7 2 5 12 16 18 17 9 6 3 3 4 2 1 4 5 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 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 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3; 1HNMR: 76 76 t 1H J 18 \| 53 53 dq 1H J 19 79 \| 52 52 t 1H J 21 \| 51 51 t 1H J 20 \| 48 47 dd 1H J 18 79 \| 43 42 m 2H \| 13 13 t 3H J 63 \| 11 11 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1NC(=O)c1ccc(C#N)cc1	ir: 2 4 1 1 2 4 3 4 2 1 0 3 2 3 5 3 3 2 3 2 3 4 3 5 3 3 2 3 3 3 1 11 9 10 32 12 15 3 4 2 7 8 11 21 8 1 2 2 2 3 4 2 2 8 15 3 6 13 10 4 2 2 7 18 44 17 16 12 7 8 12 4 3 2 2 2 1 0 2 1 0 0 1 1 1 0 4 7 9 11 2 4 2 2 2 5 3 38 25 6 19 4 6 5 8 11 8 2 0 1 6 5 0 2 1 1 1 2 3 4 1 4 7 2 6 4 5 5 13 5 7 9 3 2 2 0 2 8 51 25 9 5 5 21 19 3 2 13 10 19 3 15 9 7 10 12 16 6 10 2 2 5 2 4 4 2 1 0 0 1 1 0 1 1 1 0 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 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 1 1 1 1 1 1 3 4 2 1 1 1 1 2 1 7 13 27 100 27 17 7 4 4 3 2 2 2 0 1 2 1 1 1 1 1 1 2 4 2 2 7 54 9 10 3 1 1 1 2 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 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; 1HNMR: 96 95 s 1H \| 82 81 m 2H \| 81 80 m 2H \| 78 78 d 1H J 22 \| 74 73 dd 1H J 21 83 \| 73 73 m 3H \| 73 72 dq 1H J 10 83 \| 35 34 dq 1H J 22 163 \| 32 31 dq 1H J 24 163 \| 23 23 d 3H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCCl)c1cccc(F)c1	ir: 8 2 0 3 8 6 1 2 4 2 1 2 3 1 1 4 8 8 16 2 2 1 1 2 2 1 1 2 3 11 14 33 3 1 1 3 2 1 2 2 2 1 2 2 2 2 10 53 51 0 1 4 2 1 2 3 2 0 1 3 2 0 1 3 3 7 9 4 10 11 2 3 2 1 2 4 14 2 3 4 1 2 3 2 1 1 2 2 1 1 2 3 1 1 2 5 3 2 2 2 1 2 5 3 1 1 2 2 1 3 3 1 1 2 4 6 48 18 2 2 1 2 3 1 1 60 13 1 1 2 2 1 1 2 2 1 1 2 2 5 12 11 3 5 10 80 100 16 5 3 2 2 15 19 2 3 2 3 2 0 1 3 5 0 1 2 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 3 1 1 3 3 0 2 7 4 1 50 37 41 10 7 4 5 3 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 79 78 ddd 1H J 13 23 77 \| 78 77 dt 1H J 22 121 \| 75 74 td 1H J 50 78 \| 73 72 dddd 1H J 12 21 79 101 \| 59 59 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)COc1ccc(N(C)C(=O)OC(C)(C)C)cc1CCCOC	ir: 5 3 5 3 9 5 5 2 1 7 10 7 3 2 0 1 2 1 2 2 3 4 1 2 4 1 1 4 1 2 1 1 1 1 1 1 1 1 1 4 2 1 1 1 1 1 1 1 1 1 1 2 3 6 15 7 3 1 1 1 2 2 4 5 3 4 7 4 6 3 1 2 2 2 3 3 1 2 3 3 1 1 1 1 1 1 2 1 1 1 1 2 3 2 1 1 2 2 2 2 2 2 5 3 2 1 1 1 1 2 1 2 7 2 2 2 3 8 4 8 10 5 6 4 12 7 3 4 5 7 7 5 6 4 1 1 1 1 1 1 1 1 2 8 7 4 3 1 2 4 3 22 100 7 3 0 0 1 1 0 1 1 12 2 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 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 2 2 1 1 3 2 1 1 1 1 3 1 4 16 14 6 6 16 11 9 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 22 84 \| 72 72 m 1H \| 69 68 d 1H J 85 \| 47 47 s 2H \| 43 42 q 2H J 66 \| 34 34 t 2H J 62 \| 33 33 d 7H J 108 \| 27 27 td 2H J 8 83 \| 20 19 tt 2H J 62 83 \| 14 14 s 8H \| 13 12 t 3H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ccccc1N(CCCC(=O)O)C(=O)c1cc(Cl)cc(OCCNc2ccncc2)c1	ir: 2 2 4 4 1 2 3 1 2 3 7 11 16 4 5 10 5 5 5 23 3 33 28 10 7 8 19 10 19 14 6 8 20 5 16 43 7 23 8 5 13 5 4 22 4 12 2 3 1 2 1 2 1 1 2 0 1 1 1 0 1 1 1 2 4 6 14 5 2 6 7 3 21 7 7 4 3 11 10 15 5 6 8 5 3 2 3 1 1 1 3 3 7 3 1 3 2 1 1 1 1 1 1 3 2 6 12 4 5 2 1 35 4 5 3 1 2 3 3 2 2 7 4 4 7 2 5 5 3 12 2 1 1 1 1 2 4 8 5 5 2 16 4 9 37 6 8 17 8 6 27 3 2 3 1 2 3 6 59 3 9 7 19 0 1 1 1 1 1 0 1 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 1 0 0 0 1 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 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 14 1 5 32 20 11 6 4 2 1 2 2 28 100 5 1 1 2 1 0 5 3 3 1 1 7 2 38 19 12 4 2 1 2 48 2 2 1 0 0 1 1 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 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; 1HNMR: 83 83 m 2H \| 77 76 dd 1H J 17 81 \| 76 76 t 1H J 22 \| 76 75 td 1H J 16 77 \| 74 73 m 2H \| 72 71 t 1H J 21 \| 69 69 t 1H J 22 \| 66 65 m 2H \| 66 65 s 2H \| 52 52 t 1H J 48 \| 43 42 m 4H \| 37 36 q 2H J 44 \| 25 24 t 2H J 91 \| 21 20 tt 2H J 62 91	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]1Cc2ccccc2[C@H]1Oc1cccc(-c2ccccc2)c1	ir: 4 6 6 2 1 2 2 2 2 8 3 2 3 2 3 3 2 2 3 1 1 3 2 3 3 4 4 7 9 12 26 39 25 19 12 4 8 8 8 2 10 85 1 19 5 0 6 22 4 1 2 2 2 1 4 3 2 0 3 2 1 1 3 2 2 3 6 3 6 5 5 2 2 3 15 4 2 1 3 4 3 2 4 3 2 1 2 4 11 3 2 1 1 2 2 2 2 3 5 4 1 1 2 1 1 2 7 2 2 4 3 2 1 2 2 2 2 2 5 8 9 7 6 5 7 5 7 5 3 5 4 3 2 2 2 5 0 12 5 3 39 3 4 22 8 72 2 5 6 100 6 9 4 3 3 2 2 1 4 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 3 4 3 4 8 21 11 13 34 31 3 4 4 3 2 2 2 1 1 2 2 2 1 1 1 1 1 1 1 2 2 6 5 34 13 8 4 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 m 2H \| 75 73 m 5H \| 73 71 m 6H \| 69 69 ddd 1H J 12 21 80 \| 56 56 m 1H \| 48 48 d 1H J 80 \| 47 46 dddd 1H J 35 42 60 79 \| 32 31 dddd 1H J 8 17 42 149 \| 29 29 ddd 1H J 9 61 150 \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ncnc2c1CN(c1ccc(Cl)cn1)CC2	ir: 2 3 2 4 2 3 3 1 1 2 3 15 6 1 1 2 1 0 0 1 1 4 1 1 1 1 1 2 2 1 1 2 4 7 18 31 7 33 7 10 2 1 2 6 2 2 2 10 3 6 4 3 3 34 18 9 6 2 2 1 1 2 1 1 2 2 3 2 7 18 13 3 2 2 2 1 0 1 1 0 0 2 6 1 4 3 1 4 3 3 1 14 9 5 6 6 2 4 5 2 4 3 3 4 4 2 1 1 1 1 1 1 2 2 2 5 1 3 8 18 10 3 2 4 3 2 1 2 5 11 2 3 5 26 2 2 3 6 8 9 18 6 2 2 1 1 4 21 10 28 100 12 7 1 1 4 28 2 2 5 22 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 1 0 1 1 3 10 3 4 10 7 3 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 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 \| 82 82 d 1H J 19 \| 74 73 dd 1H J 19 87 \| 68 67 d 1H J 86 \| 44 43 s 2H \| 41 40 m 2H \| 40 39 s 3H \| 29 28 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(CCC(=NNC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)OC	ir: 14 19 24 31 9 47 72 39 33 19 33 22 10 14 7 6 6 7 7 10 16 8 5 5 2 3 6 8 14 43 36 70 65 20 77 37 31 28 14 24 26 8 7 8 5 5 5 2 6 7 4 6 5 7 15 9 7 6 4 3 8 10 8 6 7 12 8 24 15 18 8 8 8 7 4 5 6 7 13 4 5 5 12 4 13 10 5 3 10 19 7 3 4 12 2 5 15 34 21 7 14 25 41 22 9 8 7 10 7 10 10 29 16 7 9 15 8 50 41 22 59 23 14 18 14 12 11 13 14 19 14 21 25 13 28 53 24 24 42 18 31 53 70 12 4 5 9 13 7 65 81 37 26 15 31 6 5 2 3 4 2 0 1 2 1 1 2 3 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 1 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 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 4 4 3 5 12 9 11 9 5 7 5 6 12 53 61 38 31 100 14 18 9 2 5 6 7 3 3 4 3 1 3 3 2 1 2 4 5 8 11 11 8 14 74 31 7 4 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 79 78 s 1H \| 74 73 m 5H \| 52 51 s 2H \| 44 43 tp 1H J 15 48 \| 39 38 dd 1H J 28 107 \| 37 35 m 2H \| 34 33 ddd 1H J 37 62 121 \| 32 32 d 6H J 14 \| 30 29 dddd 1H J 28 42 55 71 \| 25 24 dt 1H J 85 148 \| 24 23 dt 1H J 86 148 \| 20 20 m 1H \| 20 19 m 1H \| 20 19 m 1H \| 19 18 m 1H \| 19 17 m 1H \| 18 17 m 1H \| 17 16 dddd 1H J 59 71 86 120 \| 14 14 s 7H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(C#N)ccc1OCc1ccccc1	ir: 7 8 3 5 7 5 2 11 10 4 2 5 5 4 7 5 6 4 0 6 6 3 6 6 6 3 8 8 8 6 29 33 18 8 10 8 9 13 24 40 82 18 2 9 11 5 3 7 8 1 3 7 4 7 21 23 13 4 6 7 4 3 6 7 5 38 22 7 32 14 7 7 2 1 4 7 2 3 11 5 2 2 4 4 2 15 15 8 25 23 7 8 5 6 7 5 3 18 16 6 5 8 10 6 1 3 5 4 1 3 6 3 1 4 6 5 1 5 10 4 6 7 11 7 7 9 10 3 1 5 7 6 3 6 17 50 25 9 6 2 2 19 20 22 31 13 9 7 12 23 8 8 12 8 6 2 3 5 5 1 4 5 4 1 2 5 3 0 3 6 3 0 3 5 3 0 3 5 3 1 3 5 4 1 3 5 2 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 4 1 2 5 3 1 2 5 3 1 2 5 3 1 2 5 3 0 3 5 3 0 3 5 3 1 3 5 2 1 3 4 2 1 3 5 2 1 4 4 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 4 1 2 5 4 2 3 5 4 1 5 9 6 3 4 6 4 8 4 13 29 16 78 79 100 29 13 9 6 2 5 6 5 3 4 5 3 2 5 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 75 75 dd 1H J 21 83 \| 75 74 dt 1H J 8 20 \| 74 74 m 2H \| 74 73 m 2H \| 73 73 m 1H \| 69 69 d 1H J 84 \| 51 50 d 2H J 9 \| 27 27 qd 2H J 8 74 \| 12 12 t 3H J 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ccc(-c2ccc3nonc3c2)c(O)c1	ir: 5 3 5 20 23 23 12 50 27 5 4 2 4 3 3 3 3 1 1 1 2 1 1 5 2 1 1 1 2 1 1 2 2 1 1 4 5 4 5 2 1 1 1 1 1 2 1 1 2 1 1 2 3 13 13 27 11 9 3 2 1 0 1 2 1 1 13 17 5 3 6 4 2 2 4 2 14 20 33 37 9 8 3 2 2 3 2 3 1 1 3 4 8 6 16 6 2 7 6 1 0 1 2 1 0 3 23 12 8 1 1 1 0 4 4 2 5 4 2 2 2 1 6 4 3 5 6 4 2 1 1 1 0 1 1 1 1 2 1 1 6 16 13 5 5 5 5 1 5 7 2 2 3 3 7 3 2 2 1 0 0 5 20 1 8 14 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 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 2 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 2 4 26 16 46 5 3 3 3 3 14 100 5 1 1 1 1 1 1 1 1 1 2 2 3 5 7 9 20 24 22 3 2 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 94 94 s 1H \| 84 83 d 1H J 23 \| 80 79 d 1H J 84 \| 76 76 dd 1H J 22 82 \| 75 74 d 1H J 83 \| 66 65 dd 1H J 22 82 \| 64 63 d 1H J 21 \| 58 57 q 1H J 48 \| 29 29 d 3H J 47	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(-c2cc(C#N)ccn2)c(O)c1C	ir: 2 2 3 2 2 2 4 6 3 2 3 3 18 14 10 11 18 23 7 20 8 7 6 2 2 2 2 3 3 5 5 33 15 28 3 12 10 8 9 5 2 6 2 2 2 2 2 2 2 2 1 1 2 7 8 2 2 2 2 3 3 16 9 5 3 1 5 18 23 9 3 2 3 6 15 3 2 2 2 2 5 2 2 4 5 2 4 5 0 62 4 5 6 62 3 4 4 3 1 1 3 2 5 3 2 2 1 7 14 7 3 2 3 3 3 9 6 4 3 2 2 2 2 2 7 9 4 2 2 1 2 1 1 3 15 3 2 29 4 2 3 6 2 2 3 2 20 2 5 3 1 2 5 4 12 2 2 2 3 7 40 9 2 3 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 2 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 2 1 1 2 2 2 2 2 3 4 4 4 5 36 12 8 4 9 16 100 22 1 2 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 d 1H J 37 \| 82 82 d 1H J 22 \| 81 81 s 1H \| 76 75 dd 1H J 21 37 \| 23 23 s 3H \| 20 20 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(N)c2c(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)cccc2n1	ir: 4 5 5 3 1 3 2 2 2 1 8 5 9 5 2 3 2 3 3 3 1 2 1 2 3 2 4 2 3 2 4 3 3 1 1 1 1 1 2 2 3 2 2 3 7 2 1 1 1 1 0 1 1 1 4 3 5 6 16 23 20 1 5 4 5 2 4 3 2 3 3 2 1 2 1 1 2 2 1 6 1 2 2 1 4 5 2 1 3 1 1 1 1 1 1 1 3 3 2 1 1 1 0 1 1 0 1 1 16 1 1 0 1 1 0 1 2 1 2 2 2 2 6 5 2 1 0 1 3 1 0 1 3 1 3 1 1 2 3 2 7 6 5 15 49 10 19 9 8 24 5 23 8 14 5 0 1 1 1 1 7 8 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 3 1 4 23 9 2 4 1 1 0 0 1 1 0 1 1 0 2 2 2 5 21 19 7 2 1 2 1 2 1 1 2 2 10 100 69 10 2 1 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; 1HNMR: 77 77 dd 1H J 12 76 \| 76 76 m 2H \| 76 75 t 1H J 77 \| 74 74 dd 1H J 21 89 \| 69 69 s 2H \| 67 67 dd 1H J 12 78 \| 64 64 s 2H \| 37 36 m 4H \| 34 33 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc(OCC(=N)NO)cc1	ir: 3 3 3 5 4 3 4 6 7 4 6 5 8 6 5 9 5 9 5 7 5 3 4 2 5 4 3 3 2 2 4 4 8 9 16 7 9 14 21 25 11 8 6 3 3 2 4 7 2 3 6 6 15 5 26 39 12 8 3 2 1 1 1 1 2 2 3 0 4 8 4 1 2 5 1 2 2 3 4 15 15 6 3 2 2 2 4 2 2 4 2 3 11 13 23 100 23 5 11 16 7 1 2 2 3 5 7 5 8 5 6 4 30 5 2 2 2 2 3 5 7 3 3 4 11 6 5 4 7 11 5 3 5 9 21 4 2 2 2 3 4 16 8 5 5 1 2 9 37 17 15 10 6 3 1 1 1 1 1 1 0 1 2 3 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 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 1 1 1 0 1 1 1 0 1 1 1 0 1 2 2 4 10 10 30 34 23 3 4 3 1 1 3 5 8 3 2 1 1 3 7 27 12 3 2 1 1 2 4 3 15 12 10 5 9 4 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 90 d 1H J 22 \| 80 80 d 1H J 22 \| 77 76 m 4H \| 74 73 dt 2H J 9 70 \| 72 72 s 1H \| 70 69 m 2H \| 51 51 d 2H J 9 \| 48 48 s 2H \| 24 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nnc(-c2ccccc2)c(-c2ccc(CC)cc2)n1	ir: 13 11 37 14 13 11 11 18 17 18 14 45 24 28 37 11 11 10 8 11 11 9 10 11 13 9 8 11 10 10 13 24 14 11 10 13 12 9 9 10 10 47 20 12 10 8 10 11 11 12 15 100 24 11 12 19 39 8 11 13 11 17 10 12 9 7 10 17 15 16 12 13 12 11 12 13 10 9 12 11 8 8 10 11 8 15 20 18 11 10 13 10 9 10 10 25 8 12 25 12 9 20 20 11 9 10 12 10 8 25 24 13 10 13 15 10 13 12 15 14 10 15 22 38 10 19 26 10 9 11 14 8 6 26 31 8 0 33 91 19 17 8 21 22 13 58 22 11 12 22 12 16 15 9 10 9 9 10 9 9 10 9 9 9 9 10 9 9 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 9 9 9 9 9 10 10 9 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 10 10 9 8 10 10 9 9 10 10 8 9 10 10 9 9 10 10 9 9 11 10 9 9 12 11 9 9 12 10 11 11 29 15 29 25 52 24 17 20 11 11 11 10 10 10 9 10 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 10 9 9 9 10 9 9 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 9 9 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8; 1HNMR: 79 79 m 2H \| 77 77 m 2H \| 75 74 m 2H \| 74 74 m 1H \| 74 73 dt 2H J 10 85 \| 45 44 q 2H J 64 \| 27 26 qt 2H J 9 73 \| 14 14 t 3H J 64 \| 12 12 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCN(CCc2cccs2)CC1	ir: 4 5 2 4 2 5 2 5 8 9 24 29 17 16 7 14 9 6 4 3 1 2 2 2 1 2 6 9 6 9 6 3 3 3 5 5 4 44 27 100 55 6 13 7 6 3 2 2 2 0 5 4 2 3 13 40 17 1 1 3 3 0 2 2 2 3 3 8 13 28 23 25 7 2 2 3 13 4 11 32 23 4 7 8 7 9 8 10 14 12 15 9 6 4 3 4 11 8 11 2 4 10 7 6 1 3 2 4 4 18 8 23 7 11 14 15 4 6 5 5 3 11 8 11 28 9 26 7 39 14 8 13 16 5 3 3 4 3 2 4 2 3 7 12 77 27 16 6 5 5 6 12 17 16 10 3 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 4 7 6 10 5 5 4 8 4 3 8 9 27 5 15 22 47 21 70 27 12 10 3 3 2 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 72 dd 1H J 18 53 \| 70 69 dd 1H J 53 62 \| 68 68 ddt 1H J 9 18 62 \| 29 29 m 6H \| 29 28 m 2H \| 27 27 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NC(=O)C2(CCCC2)N1c1ccccc1	ir: 3 3 4 4 6 6 6 4 3 4 5 6 5 4 3 3 4 4 5 4 4 3 3 3 4 4 4 6 10 9 5 5 8 5 9 11 8 5 5 10 18 16 20 17 25 40 59 41 17 15 9 4 4 6 4 4 4 5 4 3 4 4 4 3 4 6 7 8 10 6 8 3 5 5 5 6 9 9 6 4 4 4 3 3 3 3 3 3 3 3 3 3 5 4 4 3 4 4 3 6 5 8 4 5 4 4 5 7 10 8 8 4 10 14 17 10 8 5 3 4 7 6 5 5 10 5 6 5 9 7 5 4 6 7 10 10 10 4 3 4 4 5 11 25 48 9 5 8 14 15 14 4 10 6 4 3 3 6 6 1 100 93 42 12 4 0 3 6 4 2 3 5 3 2 3 5 3 2 3 4 3 2 3 4 3 2 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 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 3 3 3 4 3 3 3 4 4 3 3 4 4 3 4 4 4 5 4 5 6 6 5 4 7 30 13 39 32 18 25 14 6 6 5 5 4 3 5 5 4 3 4 4 3 3 4 4 3 3 4 5 29 44 59 8 9 5 4 4 3 3 4 4 3 3 4 4 5 4 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 74 74 m 2H \| 73 73 m 2H \| 70 69 tt 1H J 15 78 \| 24 23 m 2H \| 21 19 m 4H \| 19 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N[C@H](CNc1nc(Cl)nc2ccccc12)c1ccccc1	ir: 11 6 1 7 10 7 0 7 10 5 2 9 19 13 12 9 14 6 12 10 10 6 4 10 15 16 13 16 19 13 22 28 28 19 17 17 17 8 17 28 53 22 15 37 20 26 19 50 68 26 21 35 33 22 23 26 21 15 9 20 21 5 17 13 8 3 13 14 15 11 16 22 10 4 10 12 5 5 10 13 5 7 10 10 4 10 10 8 3 6 13 12 4 5 10 10 8 9 11 9 4 7 10 7 1 6 13 16 8 9 15 42 27 29 16 19 6 10 18 10 5 9 16 9 4 17 22 17 12 10 14 14 25 29 26 19 8 15 9 15 36 33 69 59 73 51 23 19 11 15 11 6 41 48 11 3 18 44 9 5 5 10 8 9 12 70 9 3 5 11 6 1 6 10 5 2 6 9 5 2 6 9 5 2 6 9 4 2 7 8 4 3 7 8 4 3 7 8 4 3 8 7 3 4 8 7 3 4 8 7 3 4 8 7 2 5 9 7 2 5 9 6 2 5 9 6 2 5 9 5 2 6 9 5 2 6 9 5 2 6 8 5 3 7 8 4 3 7 8 5 3 7 8 4 3 7 7 4 4 8 7 3 4 8 7 3 4 8 7 3 5 9 7 3 5 9 7 3 6 9 7 5 8 8 11 18 25 62 74 20 13 12 7 4 8 10 7 3 9 10 5 5 9 10 8 7 12 14 16 17 39 58 78 100 51 34 21 9 14 10 6 5 10 7 4 5 8 6 4 5 8 6 3 5 8 6 3 5 8 6 3 5 8 5 3 5 8 5 3 6 8 5 3 6 8 5 3 6 7 4 3 6 7 4 4 7 7 4 4 7 7 4 4 7 7 4 4 7 6 4 4 7 6 3 5 8 6 3 5 8 6 3 5 8 6 3 5 8 5 3; 1HNMR: 83 82 m 1H \| 81 80 dd 1H J 15 76 \| 78 78 m 1H \| 75 75 ddd 1H J 13 70 97 \| 74 72 m 5H \| 71 70 m 2H \| 50 49 dt 1H J 45 82 \| 41 40 ddd 1H J 46 59 152 \| 38 37 ddd 1H J 44 59 150 \| 20 19 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1	ir: 11 21 20 13 6 9 13 30 63 22 17 18 36 34 16 14 10 4 4 8 14 8 11 16 7 10 11 10 19 10 6 20 23 13 7 13 9 4 7 4 4 3 4 6 10 4 5 7 6 10 23 8 23 53 23 42 18 5 5 6 4 5 5 3 6 7 14 37 22 12 10 9 3 3 3 4 2 4 6 4 5 24 36 14 11 72 60 14 20 71 40 6 12 10 31 9 6 5 11 14 6 28 0 4 7 7 5 35 18 10 4 4 4 3 3 2 9 4 4 11 22 6 7 9 12 60 28 14 7 5 3 17 37 24 42 31 6 5 5 2 2 4 3 1 2 3 3 22 20 44 7 3 5 6 3 1 3 3 3 1 2 7 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 3 3 3 2 2 6 3 2 2 4 4 6 5 13 8 25 86 100 57 40 8 7 3 6 5 4 2 3 4 3 2 2 3 3 3 5 16 24 8 3 10 6 8 5 4 4 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 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 78 78 m 2H \| 77 77 m 2H \| 75 75 m 2H \| 73 73 dq 2H J 8 86 \| 71 71 s 1H \| 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.
CCCc1cc(C)c(C(=O)OCC)[nH]1	ir: 5 3 2 2 3 6 17 13 11 12 4 3 2 2 3 2 1 2 3 2 2 3 4 4 1 4 6 64 22 1 2 3 2 5 2 2 2 2 2 2 3 3 2 2 2 2 2 8 5 94 8 0 2 3 2 2 3 3 2 1 2 3 3 1 2 2 2 1 2 2 2 3 3 4 4 7 26 6 3 2 3 3 2 2 2 2 2 3 3 2 2 10 5 3 2 3 5 14 18 6 4 2 1 2 3 2 1 3 6 16 6 5 7 14 3 18 19 12 9 5 6 6 2 4 6 6 4 3 8 2 2 2 2 3 16 3 2 2 2 2 2 4 13 31 11 2 1 3 3 7 8 3 3 3 3 24 3 100 14 4 2 0 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 4 4 2 3 3 3 2 3 4 3 2 3 6 3 4 17 3 3 2 20 15 3 3 2 3 3 2 2 3 2 2 3 2 2 2 2 2 2 2 2 3 6 20 10 18 15 41 10 10 8 3 3 2 3 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 94 94 s 1H \| 61 61 m 1H \| 43 42 q 2H J 64 \| 27 27 td 2H J 9 53 \| 24 24 s 2H \| 18 17 qt 2H J 52 75 \| 14 13 t 3H J 64 \| 10 10 t 3H J 75	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1cccnc1	ir: 1 5 3 5 0 1 3 4 2 3 7 3 12 4 8 4 2 4 9 12 5 2 2 18 15 9 3 3 2 4 5 7 4 5 4 3 3 5 4 6 3 11 7 4 2 2 2 7 9 8 100 66 34 17 11 18 4 4 3 1 2 4 7 4 3 3 1 1 3 3 5 6 2 2 1 2 2 3 5 4 5 2 2 1 1 1 2 3 2 2 1 1 7 22 3 2 1 1 1 1 1 1 2 5 13 3 2 1 1 1 4 9 12 4 47 4 3 2 3 2 2 1 3 4 9 4 1 1 1 1 1 1 1 1 2 7 2 1 3 7 7 4 46 8 2 4 4 3 4 2 11 10 70 7 18 18 3 5 10 39 5 2 2 11 16 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 2 2 1 1 1 4 5 7 8 18 10 6 5 3 2 2 3 3 1 1 2 3 4 1 3 3 0 39 6 2 2 15 17 50 42 9 19 5 0 2 85 23 6 8 1 0 2 1 0 1 2 2 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 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: 95 95 s 1H \| 82 82 m 2H \| 74 73 m 5H \| 72 71 dt 1H J 21 77 \| 70 70 s 2H \| 43 42 d 2H J 9	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N)nnc1Cl	ir: 1 1 1 3 1 1 1 1 2 1 0 1 0 0 0 0 1 2 6 2 2 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 1 1 2 11 9 2 1 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 1 2 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 3 1 0 0 0 0 0 0 0 0 1 7 100 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: 66 65 s 1H \| 42 42 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.
CCOP(=O)(Cc1cc(F)c(N)c(OC)c1)OCC	ir: 6 9 9 12 20 11 8 10 23 8 5 8 4 14 8 9 1 4 2 4 1 4 3 3 11 4 2 2 1 3 5 3 4 7 2 2 2 1 4 14 6 3 10 6 4 9 3 4 4 2 4 1 2 3 3 2 1 4 2 3 2 3 2 1 1 2 8 19 14 8 3 4 8 8 13 6 21 15 7 8 34 14 3 2 2 1 1 3 8 13 2 5 3 1 3 2 3 1 1 1 15 6 0 1 1 1 1 1 1 1 3 1 1 3 5 4 5 4 9 4 2 1 1 2 1 3 1 1 2 3 4 2 1 1 1 0 0 1 2 1 1 1 0 0 0 1 0 0 2 0 1 0 1 4 34 65 76 31 2 1 3 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 3 1 3 1 2 2 2 2 2 3 2 3 2 7 19 4 3 37 9 2 1 1 1 1 0 1 1 0 0 0 1 1 0 0 1 3 44 9 2 1 0 1 1 1 0 1 3 18 100 71 3 2 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 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 0 0 0 0 0 0 0 0; 1HNMR: 72 72 ddd 1H J 10 21 121 \| 69 68 dt 1H J 9 21 \| 43 42 m 6H \| 39 39 s 2H \| 38 37 dt 2H J 9 119 \| 14 13 td 6H J 7 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(C(=O)C(=O)N[C@@H](C)C(F)(F)F)cn1C	ir: 5 7 4 14 13 32 10 12 6 2 1 1 3 8 5 3 2 1 2 2 5 3 5 7 8 32 27 50 10 11 11 18 18 33 46 37 30 17 12 1 3 8 14 4 5 3 2 0 2 2 2 1 1 2 1 1 2 3 2 4 3 4 2 1 1 2 4 4 7 5 5 4 6 14 5 6 3 6 5 4 5 4 2 1 2 2 1 3 2 4 10 3 19 4 2 4 7 10 7 7 13 15 7 7 3 2 3 10 19 18 14 25 23 17 43 22 32 24 9 23 20 19 15 6 13 14 25 4 2 2 1 2 3 3 69 6 61 11 34 12 18 3 5 3 26 38 100 20 8 5 10 12 8 1 1 2 2 3 15 7 2 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 1 2 2 2 2 4 4 6 6 9 8 11 10 9 5 7 7 21 32 11 5 4 4 3 2 2 2 2 2 1 2 5 4 3 6 4 10 12 35 17 32 11 6 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 78 77 dq 1H J 23 104 \| 75 75 d 1H J 16 \| 75 74 d 1H J 16 \| 46 45 ddtt 1H J 53 83 106 136 \| 39 39 s 3H \| 38 38 s 2H \| 11 11 dq 3H J 35 83	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)c(F)c([C@H]3CCCO3)c2[nH]1	ir: 3 5 7 3 3 10 5 6 4 5 8 3 3 4 4 3 1 3 4 17 7 10 3 3 2 3 6 6 11 31 7 8 3 5 6 6 3 20 14 15 11 18 14 6 10 18 12 23 37 73 22 1 3 8 5 0 4 6 5 2 6 5 5 1 4 4 2 3 8 12 3 1 5 4 2 1 7 5 3 4 4 3 2 3 6 13 17 24 8 13 5 5 3 5 1 2 3 2 1 2 3 10 2 8 11 48 11 6 6 8 3 4 14 8 8 11 6 4 1 4 4 4 5 6 5 9 8 3 6 4 5 5 5 2 1 2 2 1 1 2 3 3 7 33 10 5 7 5 3 3 1 12 5 3 11 31 100 20 7 35 2 3 4 11 2 1 2 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 1 1 1 2 2 1 2 2 2 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 2 2 2 2 1 3 2 1 1 2 2 1 1 2 2 2 2 3 2 1 3 3 2 1 4 3 2 10 14 5 4 5 8 5 3 1 3 6 10 68 15 2 2 2 3 6 3 2 2 3 2 2 4 17 10 31 74 22 34 11 9 7 3 3 4 2 2 2 2 2 1 1 2 2 1 1 2 2 1 3 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 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; 1HNMR: 98 98 s 1H \| 89 88 d 2H J 20 \| 81 81 d 1H J 48 \| 70 70 t 1H J 37 \| 52 51 dh 1H J 19 73 \| 41 40 dddd 1H J 20 29 46 110 \| 39 38 ddd 1H J 28 45 110 \| 38 38 s 1H \| 33 32 qd 2H J 37 61 \| 25 24 dddd 1H J 23 60 78 134 \| 22 21 m 2H \| 21 20 ddddd 1H J 29 47 59 76 136 \| 18 18 s 5H \| 12 12 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21	ir: 6 2 2 3 7 3 2 3 5 6 3 3 3 2 1 3 3 4 2 3 17 2 2 5 5 2 2 7 17 33 5 3 4 6 11 5 14 66 24 26 14 57 77 23 57 17 3 9 7 1 3 14 30 28 7 4 5 2 4 5 11 2 3 3 2 9 7 10 15 2 5 4 14 11 11 10 3 2 3 10 10 5 4 3 2 4 5 6 5 15 6 11 7 3 5 5 6 5 4 6 2 2 3 2 5 4 3 4 19 70 16 9 0 6 8 28 10 8 9 12 7 11 11 28 15 11 12 16 7 7 6 18 46 26 7 3 2 52 7 4 5 3 15 13 2 5 4 2 12 14 5 4 6 8 4 3 2 3 3 4 5 2 2 2 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 3 3 2 2 3 3 1 2 3 3 4 3 6 6 3 3 4 7 3 4 13 11 7 40 88 50 15 7 7 6 4 2 3 4 4 5 5 3 5 3 6 8 9 32 100 67 37 8 5 3 2 3 3 2 2 2 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 76 75 d 1H J 82 \| 75 75 m 2H \| 73 72 m 3H \| 70 69 m 1H \| 42 41 m 2H \| 41 40 dd 1H J 46 73 \| 25 24 m 3H \| 23 21 m 2H \| 21 20 dddd 1H J 62 73 92 140 \| 19 18 ddt 1H J 62 88 134	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCSc1ccc(C)cc1	ir: 1 1 2 6 35 14 10 10 11 12 6 4 13 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 10 8 2 1 0 0 1 1 1 4 3 5 9 83 39 32 7 5 3 12 6 1 0 1 2 1 1 1 1 2 4 6 3 4 13 22 13 3 2 1 1 0 0 0 1 0 1 3 1 1 0 1 2 10 65 4 2 1 1 1 2 0 0 1 0 0 0 1 3 9 9 3 1 0 0 1 1 2 3 3 6 5 2 2 3 7 3 2 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 17 37 10 3 2 4 6 11 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 5 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 1 0 1 0 0 0 0 0 0 0 1 1 0 0 1 3 3 2 2 1 2 2 2 4 19 27 13 100 17 21 9 1 2 1 2 2 1 1 1 1 0 1 0 38 11 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 d 4H J 11 \| 38 38 d 2H J 26 \| 27 27 t 1H J 26 \| 24 23 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C(O)[C@H]1O[C@@H](n2cc(Br)c(Nc3ccccc3O)nc2=O)C[C@@]1(O)C(C)=O	ir: 2 3 3 3 3 4 5 3 1 3 2 2 1 2 2 3 4 3 4 3 4 2 3 3 3 4 4 2 13 7 2 2 7 9 2 1 2 3 3 3 2 3 12 8 7 5 3 0 1 4 2 0 1 1 3 2 2 1 1 1 1 5 7 2 3 5 3 7 10 3 4 4 6 5 7 3 3 3 5 6 23 6 5 3 4 4 13 4 9 18 9 4 6 6 7 24 9 11 4 2 2 2 2 4 3 2 7 4 3 2 2 3 2 5 2 3 4 4 6 4 7 7 6 4 13 6 4 14 15 7 5 4 3 3 1 1 3 6 7 2 9 9 5 7 4 2 2 6 2 1 1 9 1 1 2 2 1 27 12 1 1 2 5 2 3 11 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 3 3 10 6 2 3 3 9 9 9 13 18 15 9 16 35 43 11 14 19 13 11 5 5 4 10 48 100 20 6 3 2 2 1 1 1 1 1 0 1 1 1 1 5 10 5 3 1 1 2 2 1 1 1 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 s 1H \| 82 82 d 1H J 18 \| 78 78 s 1H \| 74 73 dd 1H J 19 76 \| 70 69 pd 2H J 18 76 \| 68 68 dd 1H J 20 80 \| 63 62 ddt 1H J 16 40 59 \| 49 48 d 1H J 60 \| 47 46 s 1H \| 46 45 dt 1H J 16 73 \| 43 43 ddq 1H J 15 60 75 \| 27 26 ddd 1H J 18 40 134 \| 25 24 dd 1H J 59 134 \| 22 22 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncc(-c2cnn(CCN3CCNCC3)c2)cc1-c1nc2ccccc2o1	ir: 2 3 1 2 5 2 1 2 5 1 2 1 1 2 2 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 0 1 1 5 6 4 4 2 9 3 1 3 1 0 1 1 1 0 1 8 5 5 2 1 1 1 1 1 1 1 1 3 5 5 1 1 1 1 1 1 2 2 1 1 1 1 3 3 1 1 1 1 1 1 0 0 2 1 1 0 1 1 1 3 1 1 0 0 1 0 0 1 1 1 2 9 1 1 1 1 1 2 2 2 2 3 2 1 1 1 1 1 0 1 1 0 1 1 2 1 1 2 2 1 2 2 1 0 2 3 1 0 0 1 2 3 16 0 4 5 5 12 5 3 1 1 1 1 1 0 1 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 1 1 1 1 8 4 2 2 3 1 1 0 0 1 0 0 1 0 0 1 1 3 4 21 13 10 1 0 1 0 0 0 1 0 0 100 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; 1HNMR: 85 84 d 1H J 18 \| 83 83 d 1H J 17 \| 80 80 s 1H \| 76 75 m 2H \| 75 74 m 3H \| 70 69 s 1H \| 42 41 td 2H J 9 38 \| 34 34 p 1H J 30 \| 28 28 t 2H J 38 \| 28 27 m 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)NC#N	ir: 3 3 6 3 6 6 5 4 5 6 5 7 6 6 25 5 5 6 10 11 16 32 17 22 7 7 3 3 4 6 4 4 2 3 4 3 3 5 13 11 6 38 13 5 5 6 8 4 5 4 5 4 6 7 20 3 4 4 3 2 3 3 4 10 4 4 3 2 8 8 9 5 4 4 3 4 9 13 7 53 17 10 4 4 3 4 3 6 10 6 9 5 7 6 4 3 4 6 9 11 11 5 3 3 4 3 2 3 4 3 1 3 9 27 14 2 3 5 4 9 7 6 6 6 3 7 9 7 7 3 4 5 6 6 2 3 3 3 3 7 7 5 14 12 35 35 100 6 7 10 17 0 57 2 2 4 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 2 5 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 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 3 2 3 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 3 3 3 3 3 3 3 4 3 3 3 4 5 2 8 6 7 23 15 7 5 3 3 3 4 12 51 77 23 5 6 6 3 3 4 4 6 10 15 6 8 4 30 17 4 3 4 3 2 2 4 3 2 2 3 3 2 2 3 3 2 2 3 2 3 2 4 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 77 77 dp 1H J 9 19 \| 77 76 m 1H \| 75 74 dt 1H J 9 23 \| 72 72 m 2H \| 72 71 s 1H \| 69 69 d 1H J 83 \| 46 45 d 2H J 9 \| 39 39 s 3H \| 36 35 d 2H J 9 \| 34 33 q 2H J 72 \| 13 12 t 3H J 72	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(-c2ccc(Cl)cc2)on1	ir: 4 10 14 15 11 26 40 24 15 14 13 16 43 67 53 13 7 9 11 10 4 6 8 3 1 6 7 4 4 12 9 5 11 24 10 3 4 8 6 1 3 7 5 1 4 9 7 2 5 8 10 7 18 43 56 52 18 23 6 1 4 11 8 3 6 10 4 1 11 32 30 39 44 47 34 5 9 11 3 4 8 7 4 7 13 8 1 4 50 9 1 2 8 11 0 3 50 88 19 36 9 5 2 4 9 5 1 4 10 6 2 13 22 33 16 30 20 15 33 45 14 7 3 6 12 7 2 8 11 12 20 62 51 9 6 10 8 2 8 84 6 3 6 8 36 100 45 86 8 27 7 6 9 4 4 10 10 5 7 8 5 1 5 16 10 1 4 7 4 1 4 8 4 0 4 9 4 0 4 8 3 1 5 7 3 1 5 7 3 2 5 7 2 1 5 6 2 2 6 6 2 2 6 6 2 2 6 5 1 3 6 5 1 3 7 5 1 3 7 4 1 3 7 4 0 4 8 4 0 4 7 4 1 4 7 3 1 4 7 3 1 5 7 3 1 5 6 3 2 5 6 2 2 5 6 2 2 6 6 2 3 6 6 2 3 7 5 2 5 8 6 4 5 8 6 1 9 10 8 6 10 15 13 31 43 58 99 57 63 57 54 21 8 10 7 4 6 9 4 2 6 7 3 2 5 6 3 2 5 6 3 2 6 6 2 2 6 5 2 3 6 5 2 3 6 5 2 3 6 4 1 3 6 4 1 3 7 4 1 4 7 4 1 4 7 4 1 4 7 3 1 4 6 3 1 5 6 3 2 5 6 3 2 5 6 3 2 5 5 2 2 5 5 2 2 5 5 2 3 6 5 2 3 6 5 2 3 6 4 1 3 6 4 1 4 6 4 1 4 7; 1HNMR: 77 76 m 2H \| 74 73 m 2H \| 73 72 s 1H \| 44 43 q 2H J 64 \| 14 13 t 3H J 64	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Oc2ccnc(Nc3cc(CO)cc(S(N)(=O)=O)c3)c2)c(-c2ccccn2)nc1C	ir: 6 11 6 2 4 3 2 2 0 2 2 3 4 9 6 4 4 1 2 3 1 6 3 8 5 5 2 3 2 2 2 4 2 11 2 7 13 7 13 4 4 2 2 2 1 2 2 1 1 1 1 1 1 1 4 1 2 2 1 4 2 5 5 1 9 2 6 11 12 10 5 6 7 9 7 3 3 3 4 19 9 25 11 10 18 67 60 20 13 8 5 5 11 8 2 3 5 6 1 4 3 2 2 1 4 4 3 4 2 2 3 2 6 6 2 2 10 17 56 14 3 2 3 5 6 7 7 4 3 4 4 3 3 2 18 13 4 1 2 2 1 1 2 2 5 10 2 8 15 8 10 6 4 6 7 2 1 1 2 6 3 10 7 11 2 3 1 0 0 1 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 4 3 4 4 3 14 32 20 9 5 4 3 2 2 12 11 3 1 1 1 1 1 3 3 14 35 19 13 5 7 61 100 9 34 10 3 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 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; 1HNMR: 94 94 s 1H \| 86 86 dd 1H J 17 41 \| 81 80 d 1H J 51 \| 79 79 dd 1H J 14 83 \| 77 76 m 2H \| 75 74 m 2H \| 74 74 s 2H \| 72 72 s 1H \| 72 71 ddd 1H J 15 40 71 \| 67 67 dd 1H J 22 51 \| 65 64 d 1H J 21 \| 46 46 dt 2H J 9 57 \| 33 32 t 1H J 56 \| 24 24 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.
Cc1ncccc1C(=O)C=[N+]=[N-]	ir: 5 4 2 4 6 4 6 5 5 3 2 4 5 3 3 15 11 8 6 15 14 9 11 8 7 3 3 5 6 6 3 4 6 4 5 5 30 100 1 8 7 2 3 6 7 1 3 6 4 2 3 8 6 26 34 10 5 1 4 7 5 0 16 11 4 4 9 24 16 10 11 11 6 32 10 6 3 3 5 5 3 2 5 10 9 3 5 19 7 3 17 8 2 3 5 4 2 3 5 4 4 4 5 4 2 3 5 4 2 3 6 4 2 4 6 3 2 4 6 6 7 14 10 5 3 4 6 4 2 4 5 5 5 25 20 8 15 47 8 3 3 6 5 4 7 7 11 7 4 5 6 3 5 4 30 16 15 7 14 11 4 5 4 1 3 5 3 1 3 5 3 2 3 5 3 1 3 5 3 2 4 5 3 2 4 5 3 2 4 4 2 2 4 5 3 2 8 9 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 5 3 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 3 5 3 2 4 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 5 3 6 6 4 2 3 5 4 3 4 6 5 3 8 36 25 16 9 22 13 6 5 7 3 2 3 5 3 2 3 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 85 85 dd 1H J 21 45 \| 80 80 dd 1H J 21 80 \| 75 74 dd 1H J 44 79 \| 58 58 s 1H \| 26 26 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1O[C@@H](C=O)[C@H]2OC(C)(C)O[C@@H]12	ir: 22 15 20 21 23 12 15 22 27 40 4 6 15 16 12 18 5 20 21 37 14 15 7 19 11 19 40 43 81 9 6 5 4 8 8 5 5 3 1 2 2 0 2 2 2 0 1 4 4 4 2 3 3 7 28 31 12 2 6 21 12 22 13 17 13 1 5 5 9 44 49 34 61 35 16 11 7 46 35 7 13 9 4 6 3 1 1 2 1 1 3 4 5 2 4 15 39 100 99 18 16 20 51 80 58 14 11 13 11 7 6 2 5 3 4 4 7 13 13 6 10 9 6 10 11 17 29 30 8 6 12 3 3 2 2 1 1 2 2 1 2 3 2 2 2 2 3 4 8 31 20 6 3 3 2 1 2 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 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 1 1 1 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 0 0 1 1 0 1 2 2 1 1 2 3 2 2 5 7 7 5 8 7 1 2 5 6 3 5 15 29 23 27 31 59 25 6 1 3 3 3 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 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 1 0 1 1 1 0; 1HNMR: 97 96 dd 1H J 16 64 \| 50 49 m 2H \| 46 46 dt 1H J 15 40 \| 46 45 ddd 1H J 13 35 64 \| 34 34 d 3H J 14 \| 14 14 s 3H \| 14 13 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ccnc1C1Nc2cc(F)cc3c(=O)[nH]nc(c23)C1c1ccccc1	ir: 7 16 10 9 15 13 8 3 1 2 2 1 0 1 3 1 2 5 4 2 7 3 7 1 9 4 2 1 1 2 5 8 7 2 2 1 2 10 12 81 21 5 7 2 2 3 5 1 1 1 1 2 1 1 1 1 1 1 4 2 2 3 2 2 2 3 35 9 11 19 2 1 2 2 2 2 4 4 3 1 2 4 5 8 5 2 1 1 1 2 6 22 12 2 5 2 11 5 2 6 4 3 6 4 5 4 4 8 3 3 1 2 6 6 5 7 7 6 4 3 3 4 2 3 5 4 1 2 2 2 3 2 2 1 2 10 1 2 1 2 50 2 4 14 6 1 1 11 2 1 1 4 2 1 1 4 31 8 1 2 1 0 1 1 1 0 1 6 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 2 2 2 2 3 4 4 7 6 8 3 1 26 100 29 24 9 6 3 3 2 1 2 2 1 0 2 2 1 0 2 3 1 1 2 7 10 23 62 8 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 dd 1H J 21 122 \| 74 73 m 6H \| 71 70 d 1H J 42 \| 70 70 m 1H \| 70 69 dd 1H J 22 121 \| 62 61 m 2H \| 50 49 dd 1H J 9 44 \| 37 37 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)OC(COc2ncnc3ccccc23)c2ccc(C(C)(C)C)cc2)cc1	ir: 1 2 4 6 3 4 4 5 6 16 2 3 6 9 8 2 2 2 4 13 2 4 2 2 7 4 2 15 11 6 2 3 2 2 3 3 2 2 1 2 8 4 7 11 15 3 4 4 4 13 5 6 7 21 13 4 9 2 2 2 1 3 5 3 7 14 4 1 3 11 2 1 3 2 1 1 2 2 1 1 8 3 2 3 61 17 6 5 14 2 2 1 2 15 10 11 5 2 5 5 7 2 1 1 1 2 1 1 2 5 4 1 2 4 1 1 2 1 5 5 2 2 2 4 5 16 12 4 2 2 2 2 3 3 11 4 2 0 0 3 3 1 100 2 1 4 8 8 10 11 12 2 2 2 7 27 12 69 4 1 2 1 2 4 18 6 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 2 2 1 1 2 1 1 1 1 1 2 2 1 2 5 11 11 35 75 17 4 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 1 1 1 1 1 1 1; 1HNMR: 87 87 s 1H \| 82 82 dd 1H J 14 95 \| 80 80 dd 1H J 15 82 \| 78 77 m 3H \| 76 75 ddd 1H J 13 68 93 \| 75 74 dq 2H J 8 83 \| 74 73 m 2H \| 73 72 m 2H \| 57 57 td 1H J 9 64 \| 48 48 dd 1H J 64 128 \| 46 45 dd 1H J 64 130 \| 24 24 d 3H J 9 \| 14 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc([N+](=O)[O-])c(C#N)c1	ir: 17 10 0 8 13 7 3 10 15 7 4 14 15 9 8 11 21 16 9 10 11 6 4 10 11 5 6 25 11 5 5 12 9 5 11 11 9 4 6 11 9 5 17 12 8 4 6 11 8 4 7 10 10 47 42 14 9 2 11 13 7 2 8 12 8 3 12 42 14 6 9 39 21 12 11 12 5 4 10 11 5 4 9 10 5 4 11 13 6 6 16 19 19 8 13 11 4 7 13 12 18 7 12 9 4 7 12 9 3 7 13 9 3 9 13 8 4 8 14 9 2 22 24 32 2 36 19 10 6 9 12 6 4 9 10 5 4 9 10 5 5 10 17 5 5 11 10 0 73 18 9 6 46 15 11 6 8 15 14 5 7 19 9 4 7 12 8 4 7 12 8 3 8 12 7 4 8 11 7 4 8 11 18 5 8 11 7 4 9 10 6 5 9 10 6 5 9 10 5 5 10 9 5 6 10 9 5 6 10 9 5 6 10 8 4 6 11 8 4 7 11 8 4 7 11 8 3 7 11 7 3 8 11 7 4 8 11 7 4 8 10 6 5 8 10 6 5 9 10 6 5 9 10 6 5 9 9 5 6 9 9 5 6 10 9 5 6 10 10 5 7 10 9 5 7 11 8 5 8 12 10 10 9 25 17 18 16 100 84 30 11 14 13 6 8 12 7 5 9 10 6 4 9 10 6 5 9 10 6 5 9 9 6 5 9 9 5 6 10 9 5 6 10 9 5 6 10 8 5 7 10 8 5 7 10 8 4 7 11 8 4 7 11 7 4 7 10 7 4 8 10 7 5 8 10 7 5 8 10 6 5 8 9 6 5 9 9 6 6 9 9 6 6 9 9 6 6 9 8 5 6 9 8 5 7 10 8 5 7 10 8 5 7 10 8 5 7 10 7 4; 1HNMR: 80 80 d 1H J 74 \| 77 76 d 1H J 23 \| 74 74 m 1H \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc(CN2CC=C(c3nc4ccccc4s3)CC2)cc1	ir: 0 1 3 2 3 1 0 3 0 3 1 1 1 1 0 1 5 1 2 4 3 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 1 3 8 1 1 1 1 1 1 5 4 1 3 3 7 11 1 6 0 1 1 0 0 0 0 1 2 5 10 2 0 1 1 2 4 1 1 1 1 15 8 0 5 1 4 4 6 1 1 0 0 1 2 12 2 1 1 9 3 3 2 3 1 1 0 0 1 0 1 3 4 5 4 1 2 2 2 3 3 1 1 1 1 1 1 2 1 5 3 2 3 5 9 1 8 0 4 1 1 4 1 4 1 0 6 22 5 9 2 0 1 4 0 1 0 0 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 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 1 1 0 1 2 3 9 18 100 11 6 4 3 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 ddd 2H J 14 72 169 \| 75 75 td 1H J 16 73 \| 75 74 td 1H J 14 75 \| 74 73 m 2H \| 73 72 dt 2H J 9 82 \| 63 63 tt 1H J 9 31 \| 37 37 t 2H J 9 \| 34 34 dt 2H J 10 31 \| 31 31 tq 2H J 11 50 \| 29 28 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1c(Cl)ccn2c(CC(F)(F)F)cnc12	ir: 12 7 2 10 9 5 2 19 8 5 3 7 13 5 6 9 11 10 6 7 8 4 4 8 11 6 4 7 7 3 4 7 7 4 37 11 8 11 11 8 6 3 6 8 6 2 5 8 6 2 6 10 21 26 7 10 6 3 7 8 5 2 6 8 5 2 6 9 9 6 8 10 13 2 7 8 4 3 10 11 4 3 7 9 5 4 7 41 5 9 9 7 8 22 37 9 4 4 9 6 0 68 8 8 23 28 100 19 5 6 9 6 4 8 10 6 3 6 11 12 6 6 9 5 3 8 11 5 3 11 23 6 3 7 9 5 4 7 8 4 5 21 15 6 19 11 7 4 4 8 7 8 5 8 6 5 5 7 11 8 5 8 6 3 5 8 6 2 5 8 5 2 5 8 5 2 5 8 5 3 6 7 5 5 6 7 4 3 6 7 4 3 6 7 4 3 6 7 4 4 7 6 3 4 7 6 3 4 7 6 3 5 7 6 3 4 7 6 3 5 7 5 3 5 8 5 2 5 8 5 2 5 8 5 3 5 8 5 3 6 7 4 3 6 7 4 3 6 7 4 4 6 7 4 4 6 7 4 4 7 6 4 4 7 6 3 4 7 6 3 4 7 6 3 7 12 9 4 6 8 7 5 9 10 31 4 7 9 33 82 55 61 20 7 8 8 6 4 6 7 5 4 7 7 4 4 6 7 4 4 6 6 4 4 6 6 4 4 7 6 4 4 7 6 4 4 7 6 3 5 7 6 3 5 7 5 3 5 7 5 3 5 7 5 3 5 7 5 3 5 7 5 3 6 7 5 3 6 7 4 4 6 7 4 4 6 6 4 4 6 6 4 4 6 6 4 4 6 6 4 4 7 6 4 5 7 6 4 5 7 5 3 5 7 5 3 5 7 5 3; 1HNMR: 88 88 d 1H J 77 \| 80 80 t 1H J 9 \| 72 72 d 1H J 77 \| 34 33 qd 2H J 8 99	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1O	ir: 4 5 2 6 14 16 75 49 79 23 16 13 12 11 4 4 5 2 2 4 4 4 2 4 6 8 4 9 8 14 16 15 46 17 14 16 6 3 5 11 3 2 4 5 4 1 2 5 4 0 7 15 13 62 47 49 21 9 8 9 4 1 3 7 8 8 19 45 34 14 7 10 6 4 3 7 4 5 40 34 9 3 2 2 9 6 36 6 4 10 12 5 25 53 36 10 12 8 34 15 1 3 9 5 2 2 3 2 2 2 4 3 6 11 3 4 5 10 12 7 6 17 16 13 7 7 8 4 4 8 6 4 2 2 2 1 2 2 3 2 5 3 42 36 43 35 77 45 27 45 27 9 6 9 15 2 2 3 2 0 1 5 6 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 2 2 1 1 2 1 0 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 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 3 2 4 1 3 7 8 3 3 3 4 5 9 16 24 21 33 100 25 13 9 5 5 5 5 32 66 1 2 3 1 1 2 2 3 3 7 4 14 9 20 61 39 13 10 4 3 2 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 71 70 dq 1H J 9 81 \| 69 68 m 1H \| 68 68 m 3H \| 67 67 q 1H J 9 \| 64 63 t 1H J 47 \| 61 61 s 1H \| 39 38 s 2H \| 36 36 d 2H J 9 \| 32 32 td 2H J 46 57 \| 27 26 tt 2H J 9 79 \| 23 23 d 3H J 11 \| 22 22 s 3H \| 19 18 tt 2H J 56 77	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(OC(c1ccc(F)c(F)c1)C(F)(F)F)C(F)(F)F	ir: 16 13 1 6 14 10 6 9 7 5 14 29 9 9 7 2 3 5 2 2 3 5 3 15 8 3 1 2 2 1 1 1 2 2 2 2 2 6 3 3 3 1 4 4 3 1 1 3 3 2 6 18 3 2 9 48 6 4 3 4 5 1 1 3 4 2 19 30 8 37 28 4 3 2 3 5 9 11 10 3 2 2 3 4 6 25 21 18 4 6 6 3 2 1 4 3 1 48 8 7 100 7 4 4 4 2 0 1 3 1 0 1 2 2 1 3 3 2 1 4 5 3 5 3 4 2 2 2 4 3 2 2 2 1 1 1 2 1 1 2 2 13 2 1 2 1 1 2 3 15 6 1 2 5 3 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 2 6 2 3 2 2 2 9 15 33 23 5 4 2 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 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 1H \| 73 73 m 1H \| 73 72 ddd 1H J 47 88 102 \| 59 59 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CSc1cc(C)nc(N)n1	ir: 3 3 1 2 3 2 2 3 2 4 4 5 5 3 6 3 3 3 1 2 2 3 3 5 6 5 4 2 1 1 2 2 1 5 27 8 57 25 28 8 14 3 3 3 4 1 2 2 1 2 3 1 1 1 1 1 1 2 1 1 1 0 1 1 2 0 3 4 2 1 6 12 2 3 5 4 1 1 0 0 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 5 1 2 2 1 0 0 4 1 0 1 0 1 0 0 1 2 6 5 3 3 1 2 1 1 2 10 1 1 1 2 4 2 8 1 1 1 0 1 2 1 1 1 1 0 3 8 3 6 22 56 42 100 13 7 5 3 2 2 3 6 20 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 1 2 1 1 0 1 1 1 1 4 10 1 2 11 1 1 0 1 1 1 1 1 1 2 1 1 1 1 2 3 6 37 7 8 2 1 1 1 1 1 1 1 3 48 100 4 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 64 63 s 1H \| 58 57 s 2H \| 42 41 q 2H J 66 \| 39 38 s 2H \| 23 23 s 3H \| 13 12 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC2CCOCC2)cn1	ir: 1 2 6 4 3 5 6 5 4 6 5 3 4 3 2 3 3 6 5 6 9 23 24 10 8 6 5 2 8 6 2 5 1 4 4 3 5 4 10 18 27 18 16 4 5 1 2 3 2 3 2 5 6 0 34 29 10 22 5 13 2 0 4 8 5 6 6 4 15 17 10 4 1 3 2 8 4 6 2 1 2 2 1 2 1 2 5 1 3 4 5 5 3 2 3 2 2 3 1 1 1 2 1 2 4 4 3 3 3 14 40 4 6 2 2 4 5 3 7 2 4 4 18 19 11 5 5 6 4 6 15 41 20 5 3 4 9 30 6 3 5 8 22 12 14 100 90 20 10 9 34 19 12 12 4 2 4 1 1 3 3 17 44 7 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 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 3 1 3 2 2 2 3 3 5 5 16 11 33 47 37 9 6 5 3 5 3 2 2 2 1 1 1 1 1 2 3 3 2 2 3 6 21 16 13 8 4 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 1 1 1 1; 1HNMR: 85 85 d 1H J 19 \| 80 80 dd 1H J 19 81 \| 76 75 m 2H \| 72 71 m 3H \| 70 70 d 1H J 82 \| 55 55 s 2H \| 39 38 dp 1H J 50 77 \| 37 37 ddd 2H J 30 57 117 \| 35 35 ddd 2H J 31 59 117 \| 24 24 s 2H \| 20 19 dddd 2H J 31 50 58 140 \| 18 17 dddd 2H J 31 50 59 140	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc(N2CCNCC2)cn1	ir: 1 1 2 3 1 1 2 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 12 3 1 1 1 1 1 2 3 0 1 2 2 1 1 3 2 0 10 25 19 7 6 1 2 3 5 2 4 3 1 1 1 2 10 5 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 1 4 2 2 1 1 2 1 2 1 1 2 2 3 2 1 2 4 2 2 4 4 6 3 2 5 5 5 15 4 1 1 1 2 2 2 2 2 1 2 2 9 5 4 9 7 3 2 1 1 1 1 1 1 1 1 1 1 1 2 5 5 1 1 2 1 1 1 1 1 1 1 1 5 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 1 1 1 1 4 2 3 3 8 2 1 1 1 2 1 1 1 1 1 1 1 2 3 3 4 4 10 100 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; 1HNMR: 79 79 d 1H J 18 \| 72 72 d 1H J 84 \| 71 71 dd 1H J 18 84 \| 33 32 ddd 4H J 12 29 53 \| 30 29 m 4H \| 20 19 p 1H J 33	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(O)cc2n1Cc1c(F)cc(Br)cc1F	ir: 7 3 2 4 10 13 4 8 3 4 2 4 3 2 6 2 1 3 1 2 3 3 2 5 7 2 2 2 3 2 2 2 4 1 1 2 2 2 3 2 3 2 4 1 1 2 1 1 2 1 2 4 3 3 8 19 9 1 2 2 2 1 2 2 3 3 34 11 4 4 2 2 3 3 5 8 10 7 4 11 12 23 32 7 7 4 2 3 2 6 1 2 7 35 8 3 1 2 2 3 2 1 2 3 8 6 13 9 23 6 7 10 4 3 7 5 3 3 3 3 6 3 3 4 4 2 1 4 2 2 4 6 4 3 2 3 6 9 4 13 7 2 3 2 2 6 16 51 4 1 2 6 2 2 21 0 1 2 7 9 3 1 1 10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 6 5 4 2 2 5 3 4 4 12 21 3 16 100 13 5 2 5 3 2 3 17 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; 1HNMR: 78 78 s 1H \| 76 75 d 1H J 83 \| 73 72 m 2H \| 70 70 d 1H J 22 \| 69 68 dd 1H J 22 82 \| 55 54 dt 1H J 55 172 \| 54 53 dt 1H J 54 170 \| 42 41 m 2H \| 35 34 ddd 1H J 41 66 102 \| 28 27 ddd 1H J 48 75 101 \| 22 21 m 1H \| 20 19 dddd 1H J 49 58 84 133 \| 18 16 m 4H \| 16 14 m 2H \| 13 12 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccnc(C(C)=O)c1	ir: 1 2 2 6 3 3 5 3 7 4 13 15 15 6 4 4 6 4 2 6 16 11 5 9 6 6 18 8 1 2 2 1 1 1 7 36 1 4 1 0 1 1 1 1 4 9 4 3 4 3 23 2 2 2 1 1 1 1 1 1 2 4 13 14 8 16 96 51 12 7 4 5 24 7 27 3 4 5 7 1 2 13 4 2 14 1 1 1 1 1 1 1 2 2 0 44 13 4 2 1 4 2 1 1 1 1 2 6 5 2 1 2 3 4 6 4 4 6 5 3 5 4 3 10 33 14 20 29 1 8 47 13 8 3 3 2 3 1 1 1 1 1 1 5 6 4 19 6 2 7 4 2 3 30 7 1 1 1 2 6 11 100 23 7 5 1 1 1 1 1 1 1 1 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 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 2 1 1 3 1 2 2 2 4 5 2 2 2 3 3 3 25 42 9 34 40 96 19 5 0 2 3 1 1 1 2 1 1 2 1 1 1 2 2 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 85 85 d 1H J 48 \| 78 78 d 1H J 21 \| 68 68 dd 1H J 21 48 \| 38 38 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.
c1ccc2c(NCCCN3CCOCC3)n[nH]c2c1	ir: 13 17 11 7 5 4 6 4 4 5 7 12 44 37 4 12 11 28 39 9 14 8 3 8 21 17 6 30 14 16 16 7 5 2 11 37 57 19 4 8 8 15 57 87 13 5 2 3 2 3 2 4 4 3 6 6 2 2 5 1 4 2 2 1 4 4 3 3 6 6 10 9 34 17 8 4 2 2 3 17 30 6 6 2 4 8 13 4 4 1 1 4 10 4 4 8 1 7 48 11 51 19 4 5 1 3 3 7 40 12 12 8 3 6 8 4 1 4 6 5 1 3 9 8 13 6 12 4 7 10 21 12 5 13 47 11 4 20 25 38 14 20 17 5 6 8 8 17 48 98 25 8 2 0 8 12 4 0 1 1 3 7 13 5 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 0 1 1 1 1 1 1 1 1 2 1 1 2 6 5 3 1 1 2 1 2 4 5 12 7 15 23 30 8 4 2 2 2 1 2 2 3 2 1 2 1 2 1 2 2 8 11 13 36 28 51 44 80 100 23 9 7 4 3 2 1 1 1 2 1 1 1 1 1 0 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 1H \| 76 75 dd 1H J 14 88 \| 75 74 ddd 1H J 12 72 87 \| 73 72 ddd 1H J 15 72 86 \| 51 51 t 1H J 50 \| 37 37 m 4H \| 36 36 td 2H J 50 67 \| 32 31 t 2H J 58 \| 28 27 m 4H \| 22 22 tt 2H J 58 68	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(-c2cc(-c3cc(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)n3)ccn2)cn1	ir: 9 7 4 5 9 7 7 3 7 2 2 5 6 8 7 7 7 8 6 3 4 8 14 7 3 13 4 9 2 1 3 1 2 6 19 32 33 11 4 3 3 1 2 2 2 1 3 2 2 2 5 1 3 4 17 14 31 3 3 3 2 1 2 6 11 14 15 11 3 4 7 3 4 8 7 8 3 2 2 0 1 3 1 1 1 2 3 3 1 1 0 2 2 1 2 2 10 2 18 38 25 2 0 1 2 1 0 0 2 1 1 12 62 2 5 3 11 8 9 5 12 13 4 8 5 10 4 4 6 4 4 3 3 8 3 3 2 32 12 5 5 3 10 18 2 2 5 6 16 24 6 17 20 6 13 8 3 4 8 11 7 9 6 9 5 6 2 0 2 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 1 1 1 0 1 1 2 1 3 3 10 12 100 20 13 6 3 2 2 1 3 1 1 2 1 0 0 1 1 3 5 25 1 1 1 1 1 1 1 2 4 6 65 43 15 5 2 1 1 1 0 1 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 91 d 1H J 49 \| 87 87 d 1H J 19 \| 84 84 d 1H J 22 \| 84 83 dd 1H J 19 83 \| 82 82 dq 1H J 9 19 \| 81 81 m 2H \| 80 80 dq 1H J 9 19 \| 79 79 dd 1H J 22 49 \| 77 76 dq 2H J 15 114 \| 68 67 d 1H J 83 \| 52 52 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn(C[C@@H](C)O)c2ccc(F)cc12	ir: 5 5 6 5 12 9 11 5 4 5 6 5 4 5 5 4 4 5 5 6 4 5 5 5 5 5 5 5 4 5 5 5 5 5 7 5 5 5 5 5 5 4 5 7 5 5 5 4 4 5 5 4 5 6 23 8 5 5 4 6 7 5 5 4 6 6 29 27 18 9 12 5 13 7 9 5 8 13 9 5 5 5 5 5 6 6 5 8 52 25 10 30 24 11 7 6 9 7 6 5 15 24 5 7 4 5 5 8 13 5 5 4 5 5 5 5 5 7 7 10 11 5 4 5 7 7 6 6 5 5 5 6 12 9 5 5 5 4 4 5 4 4 4 5 6 17 6 4 4 5 5 4 10 15 41 5 4 4 5 4 4 5 14 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 5 5 6 5 4 4 5 5 4 5 5 5 4 4 5 8 4 4 6 7 6 6 7 6 4 5 7 5 4 38 8 13 67 38 13 38 9 5 13 27 100 6 0 6 9 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 5 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 73 72 dd 1H J 46 81 \| 71 70 m 2H \| 70 70 q 1H J 8 \| 41 40 m 2H \| 38 37 ddd 1H J 8 45 126 \| 32 32 d 1H J 49 \| 25 24 d 3H J 7 \| 13 12 d 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CNC(=O)c2ccc(-c3ccnc(N)n3)s2)cc1	ir: 0 1 0 0 1 1 1 1 1 1 0 2 1 2 2 2 2 1 1 1 0 1 2 2 1 1 1 1 1 2 1 1 1 2 3 4 7 10 5 3 2 1 2 2 1 1 1 1 1 1 1 2 2 3 4 1 1 0 1 1 0 0 1 1 1 1 1 0 0 1 0 0 1 3 1 1 0 1 0 0 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 1 1 1 1 1 1 0 0 0 1 5 4 1 1 1 1 1 2 1 2 5 4 17 24 7 3 8 18 3 3 4 0 0 1 14 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 5 1 2 1 0 0 1 1 0 0 0 0 0 0 0 0 1 2 2 7 2 2 1 1 2 11 4 3 1 0 1 3 100 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; 1HNMR: 83 83 d 1H J 40 \| 80 79 t 1H J 51 \| 78 77 d 1H J 73 \| 76 76 d 1H J 73 \| 75 74 d 1H J 38 \| 73 72 dp 2H J 9 80 \| 69 68 m 2H \| 64 64 s 2H \| 45 45 dt 2H J 9 51 \| 38 38 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC[C@@H](O)CC(=O)O	ir: 2 2 0 4 7 8 7 8 13 14 2 5 9 2 18 10 7 4 8 17 100 48 10 2 6 7 2 1 2 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 7 4 5 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 2 6 1 2 2 2 4 21 89 19 2 3 9 4 6 3 2 3 4 3 33 76 4 3 2 3 3 5 2 0 1 2 1 1 1 3 5 3 2 2 2 2 4 1 1 1 2 5 6 4 1 1 1 0 1 2 1 1 1 2 1 2 7 10 6 2 1 1 2 1 1 2 63 9 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 41 0 0 0 0 0 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 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 4 3 3 2 3 2 2 1 1 2 11 10 2 1 1 1 2 1 0 4 40 87 12 84 67 3 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 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; 1HNMR: 46 46 d 1H J 57 \| 43 42 tq 1H J 53 81 \| 29 28 dd 1H J 51 110 \| 27 26 m 2H \| 24 23 dd 1H J 81 163	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

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