Datasets:

DeerEyeRain
/

sel_dataset

Dataset card Data Studio Files Files and versions Community

Split (2)

train · 715k rows

Output stringlengths 5 127	Input stringlengths 850 1.64k	Instruction stringclasses 1 value
COc1ccc(C[C@H](NC(=O)[C@H](C)N)C(=O)OCc2ccccc2)cc1	ir: 2 3 2 1 2 1 1 1 2 2 3 1 2 2 1 1 1 1 2 1 1 0 1 0 1 1 1 1 2 2 1 1 2 1 1 1 1 2 6 15 17 12 5 3 2 2 1 5 3 1 1 1 1 2 3 16 9 2 12 17 19 11 3 3 7 3 2 3 4 2 3 4 8 13 9 2 1 3 6 2 1 3 7 8 1 1 1 3 2 4 1 1 0 0 0 1 1 2 4 2 1 1 1 1 0 1 1 1 5 3 2 1 1 1 2 1 1 1 2 4 6 6 4 5 2 3 3 2 3 2 3 2 3 30 53 7 7 1 1 2 2 2 17 17 19 12 11 5 6 3 2 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 0 1 1 1 1 1 1 3 2 2 1 3 4 3 8 11 22 0 2 1 1 0 1 1 0 0 1 2 3 5 7 5 1 1 5 4 3 77 100 4 6 5 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 74 73 m 5H \| 73 72 d 1H J 93 \| 70 70 dq 2H J 10 81 \| 68 68 m 2H \| 52 51 m 2H \| 51 51 d 2H J 55 \| 45 44 dt 1H J 71 93 \| 40 39 h 1H J 53 \| 38 38 s 2H \| 32 31 ddt 1H J 9 71 142 \| 30 29 ddt 1H J 9 71 141 \| 13 13 d 3H J 51	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(-c2csc(N(C)S(=O)(=O)c3ccccc3)n2)c(=O)[nH]c1C	ir: 1 1 2 3 2 1 3 8 1 3 7 9 2 2 4 3 3 3 2 1 0 1 1 2 1 3 2 1 3 7 16 5 8 4 2 1 1 3 3 1 10 4 1 1 1 2 3 8 12 14 16 4 2 1 2 2 1 1 1 1 1 1 5 4 2 6 2 1 6 6 2 1 2 2 5 3 3 4 5 2 2 1 1 2 19 21 4 3 5 3 6 2 1 2 3 2 2 2 0 3 2 1 0 1 7 1 1 4 2 1 1 1 2 1 2 2 3 4 3 6 5 3 3 2 3 1 1 4 2 2 4 4 1 4 14 6 1 1 1 1 1 7 6 2 1 1 3 2 1 2 2 0 100 0 1 1 27 0 3 2 2 1 1 1 1 0 2 13 2 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 8 4 7 5 11 13 7 4 0 1 1 1 0 1 2 1 0 1 1 0 0 2 1 1 1 1 1 1 5 14 2 1 1 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 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: 85 85 s 1H \| 80 79 tt 1H J 14 73 \| 77 77 dq 2H J 16 89 \| 76 75 m 2H \| 73 72 s 1H \| 43 43 q 2H J 71 \| 37 36 s 3H \| 26 26 s 3H \| 13 12 t 4H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C#N)ccc1N1CCOc2cc(S(=O)(=O)Nc3ccncn3)ccc21	ir: 5 7 9 4 4 4 6 2 3 10 2 3 6 2 9 2 3 2 3 4 20 8 5 3 2 3 1 5 5 7 3 8 19 9 19 7 9 17 11 7 6 3 7 6 10 7 29 22 4 7 18 9 6 13 29 42 9 5 5 11 5 3 1 2 13 26 7 4 20 9 18 20 9 6 16 3 1 0 2 2 1 0 2 9 51 33 15 50 8 9 2 4 6 34 45 7 4 2 2 3 12 22 4 3 2 1 5 1 1 2 3 10 6 6 2 1 3 2 4 6 4 11 19 37 19 6 7 3 3 3 2 2 3 1 1 9 66 12 4 2 1 2 2 3 2 4 2 13 19 12 5 12 9 13 6 2 6 13 59 21 3 3 7 0 0 1 1 0 0 1 1 1 1 0 0 1 1 0 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 2 1 1 1 0 1 0 1 1 1 2 8 9 8 21 24 10 4 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 6 11 61 100 41 5 3 2 0 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 1 0 0 0 1 0 0 0 1; 1HNMR: 87 86 t 1H J 15 \| 86 86 dd 1H J 17 39 \| 76 76 dd 1H J 22 86 \| 74 74 dd 1H J 22 77 \| 74 73 d 1H J 22 \| 73 72 dd 2H J 81 165 \| 72 72 d 1H J 22 \| 72 71 dd 1H J 16 39 \| 43 42 m 2H \| 40 39 dd 2H J 46 55 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOC(C)C(=O)c1ccccc1	ir: 1 3 5 2 1 2 3 7 2 2 2 3 9 2 4 2 2 7 7 27 4 2 3 2 3 7 4 3 2 7 6 2 6 13 20 65 77 12 1 6 3 1 2 3 6 0 1 2 1 0 1 3 1 0 1 2 3 2 2 7 4 4 7 7 15 16 4 13 30 21 7 19 9 7 14 11 11 1 6 8 4 19 9 5 2 3 1 1 1 3 3 6 2 2 1 1 1 1 1 1 1 1 2 1 2 6 1 1 1 2 5 3 3 4 3 2 8 11 7 5 14 17 11 28 13 4 2 3 11 6 3 3 5 9 20 9 15 44 7 7 4 5 24 64 73 47 17 8 1 3 2 1 0 2 2 0 1 2 1 0 2 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 5 2 1 1 1 2 3 1 4 6 33 8 10 9 21 19 48 84 100 16 25 10 6 6 5 4 3 2 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 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; 1HNMR: 79 79 dq 2H J 17 83 \| 76 75 m 1H \| 75 74 m 2H \| 59 57 ddt 1H J 58 115 170 \| 53 53 ddt 1H J 13 25 168 \| 52 52 m 1H \| 48 48 q 1H J 57 \| 43 42 ddt 1H J 13 57 143 \| 42 41 ddt 1H J 14 59 143 \| 14 13 d 3H J 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CNC2(CCCCC2)N1	ir: 2 2 4 7 10 7 3 3 1 3 3 11 4 8 3 5 9 8 7 4 5 12 14 27 19 9 4 4 3 4 4 4 7 5 5 4 2 4 3 2 2 3 3 2 3 4 5 3 5 4 8 9 6 8 10 5 4 5 3 3 3 6 3 6 6 7 5 3 5 3 2 2 2 2 2 1 2 2 2 1 2 2 3 7 18 15 3 4 4 3 6 6 3 2 1 2 3 3 3 3 4 4 3 2 4 4 2 3 5 6 4 13 18 7 12 11 8 8 3 4 3 2 3 7 7 4 2 10 10 6 1 3 4 3 20 11 5 3 2 3 3 1 1 3 3 1 1 3 4 0 2 9 15 100 44 17 2 6 3 0 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 3 3 4 2 2 2 2 4 16 8 5 4 2 2 2 2 2 2 3 2 2 2 2 2 2 3 3 2 4 7 50 77 91 19 10 19 15 13 13 12 5 2 3 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 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 57 57 s 1H \| 37 36 t 1H J 38 \| 34 34 d 2H J 37 \| 18 17 m 2H \| 16 15 m 4H \| 15 14 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](NCC1CN(C(=O)C(F)(F)F)CCC1c1ccccc1F)c1cccc2ccccc12	ir: 6 6 5 4 2 13 8 3 3 3 4 3 2 4 3 2 3 9 6 1 4 2 2 2 4 4 3 3 2 3 2 28 10 7 8 22 19 4 8 9 10 15 33 13 13 20 45 4 20 65 18 2 13 19 7 6 9 7 5 3 10 7 22 22 22 13 5 5 5 6 6 4 14 11 4 3 4 4 3 9 6 7 5 6 7 14 22 13 44 12 3 3 21 8 11 6 18 34 6 20 14 5 4 8 10 13 20 14 28 18 8 7 12 8 20 19 27 15 5 15 7 6 3 7 10 10 13 15 10 6 10 8 7 9 4 17 19 31 27 12 5 4 28 4 5 5 9 23 83 5 8 6 23 6 2 4 3 2 5 11 3 1 2 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 0 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 3 4 5 3 2 5 8 5 5 12 10 23 93 100 17 8 14 6 3 2 3 2 4 3 3 6 3 2 4 7 15 73 72 26 4 2 3 3 2 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2; 1HNMR: 81 80 m 1H \| 79 79 dt 1H J 13 84 \| 79 78 m 1H \| 76 75 m 2H \| 75 74 m 2H \| 73 73 m 2H \| 73 72 m 1H \| 72 71 ddd 1H J 14 81 96 \| 40 39 m 1H \| 38 37 m 2H \| 37 36 ddd 1H J 55 82 121 \| 36 35 dd 1H J 36 120 \| 30 29 dtdd 1H J 7 40 49 97 \| 29 28 m 2H \| 26 25 m 1H \| 25 24 dtt 1H J 35 48 98 \| 22 22 dddd 1H J 48 55 82 129 \| 19 18 dddd 1H J 48 55 82 128 \| 15 15 d 3H J 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@H]1CCS[C@H]2CC[C@H](C(F)(F)F)CN2C1=O)OCc1ccccc1	ir: 3 2 3 2 2 1 1 1 2 8 3 1 1 1 3 0 1 3 5 1 1 1 1 0 1 6 5 3 5 6 15 12 11 3 8 8 14 3 6 11 29 24 100 25 20 16 13 4 4 3 1 3 6 4 2 3 3 3 8 6 4 2 1 2 1 9 6 3 1 4 2 4 1 1 4 1 3 2 7 2 1 3 0 1 0 0 1 1 4 11 9 2 3 2 2 1 3 7 8 5 8 19 10 11 13 4 6 4 8 5 13 18 14 30 3 4 30 10 9 8 12 4 2 8 6 6 11 4 8 7 6 7 24 3 5 38 6 9 13 7 5 5 5 13 10 34 95 39 33 43 8 5 2 1 1 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 5 6 3 7 4 2 7 3 8 16 18 9 11 26 27 10 3 3 1 2 1 1 1 4 0 1 0 0 1 1 0 1 1 1 1 2 14 74 81 19 10 3 2 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 d 4H J 41 \| 73 73 ddd 1H J 34 48 83 \| 57 56 d 1H J 95 \| 51 51 s 2H \| 47 47 dd 1H J 24 51 \| 46 45 m 1H \| 39 38 m 1H \| 36 35 ddq 1H J 25 82 107 \| 29 28 dt 1H J 71 142 \| 28 27 dt 1H J 71 144 \| 25 24 m 1H \| 22 21 m 2H \| 20 18 m 3H \| 17 16 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1=Cc2cc(Br)ccc2N(Cc2ccc(OC)cc2)CCCC1	ir: 2 2 3 6 4 13 7 6 4 2 3 2 3 2 3 2 1 4 1 2 1 2 3 1 2 2 3 8 6 2 2 1 1 1 1 1 2 2 2 3 1 1 1 1 1 1 2 0 3 5 3 2 5 12 16 18 14 3 5 5 6 6 2 7 3 5 4 5 4 2 1 2 2 1 1 3 1 1 1 2 3 8 2 15 23 3 4 11 9 4 3 2 1 1 1 3 2 3 2 6 1 3 2 1 1 1 2 8 4 2 5 2 1 3 3 2 2 9 14 7 7 5 0 2 3 3 2 2 4 1 1 1 1 1 3 3 2 2 1 1 1 3 8 4 7 32 6 6 22 6 3 19 7 2 1 1 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 2 1 2 2 1 1 2 2 2 7 13 14 12 100 37 5 4 2 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 75 t 1H J 17 \| 74 74 m 2H \| 72 72 dt 2H J 9 85 \| 69 68 m 2H \| 68 67 d 1H J 85 \| 46 46 t 2H J 9 \| 38 38 s 2H \| 37 37 s 2H \| 34 33 t 2H J 59 \| 24 24 td 2H J 15 76 \| 18 17 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2cc(C3CCN(S(C)(=O)=O)CC3)c3ccc(C#N)cc32)cc1Cl	ir: 15 12 7 3 7 7 7 4 2 4 8 6 4 3 2 2 2 2 2 1 1 8 3 3 1 1 1 1 0 1 2 3 1 2 3 4 4 28 5 4 1 1 7 1 1 2 2 1 2 2 1 2 2 16 15 6 14 14 5 3 3 2 3 4 15 10 13 9 11 4 7 9 24 4 3 3 3 6 9 5 6 100 10 7 19 10 16 7 30 45 21 3 5 4 3 3 3 6 8 13 14 12 16 29 43 10 3 2 2 2 1 1 5 2 1 2 3 2 2 4 4 11 7 6 3 3 1 3 3 3 1 2 2 1 7 8 4 2 1 2 7 3 1 1 2 4 9 2 2 7 13 23 6 7 5 5 3 0 1 1 1 6 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 1 1 1 3 2 2 1 1 2 3 3 3 3 2 2 4 5 11 22 20 17 77 35 25 15 8 3 4 2 1 1 1 1 0 1 1 1 0 2 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 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 79 d 1H J 64 \| 78 77 d 1H J 22 \| 76 75 dd 1H J 22 64 \| 72 72 dt 1H J 9 19 \| 71 71 ddt 1H J 9 20 77 \| 71 70 d 1H J 9 \| 69 68 d 1H J 76 \| 54 54 q 2H J 9 \| 39 39 s 2H \| 34 33 ddd 2H J 65 92 128 \| 33 32 ddd 2H J 65 91 126 \| 31 30 m 1H \| 29 28 s 2H \| 23 22 dddd 2H J 51 64 92 116 \| 20 19 dddd 2H J 51 65 92 116	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC=C1C(=S)c2cc(C)ccc2OC1c1ccccc1	ir: 2 2 2 2 3 8 3 5 5 3 5 2 3 6 5 11 8 4 3 3 2 3 3 3 3 4 3 2 2 11 11 14 7 11 10 8 46 19 45 5 8 100 35 88 15 0 5 8 8 3 3 6 41 6 31 6 3 4 3 11 6 15 8 4 7 10 13 14 40 14 13 18 17 4 5 14 10 7 6 7 3 3 3 3 1 1 8 9 4 20 4 5 56 8 1 3 4 2 3 3 5 20 7 3 3 2 2 3 4 7 10 3 3 3 5 4 5 5 4 10 10 10 15 14 9 23 7 6 3 7 3 3 5 12 29 12 14 3 2 3 6 11 35 63 28 13 4 5 4 7 12 8 5 6 9 2 2 3 2 2 2 2 3 3 2 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 3 3 3 3 2 3 3 3 4 4 7 11 14 15 29 48 42 99 66 15 12 8 6 5 5 3 4 4 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 80 80 d 1H J 21 \| 75 74 m 2H \| 74 73 m 3H \| 72 71 m 1H \| 70 70 d 1H J 85 \| 58 57 dt 1H J 8 18 \| 57 56 qd 1H J 18 61 \| 24 24 s 3H \| 18 18 dd 3H J 10 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(CC)N1CCC(=O)CC1	ir: 2 4 3 7 5 4 4 2 2 1 4 7 4 5 4 3 9 11 5 2 1 1 1 1 1 2 2 2 1 1 1 1 1 2 1 0 1 2 3 3 2 3 1 2 1 3 1 1 1 2 1 1 1 2 6 4 4 1 3 2 3 2 2 5 2 9 6 5 4 2 1 5 9 9 11 7 5 5 2 1 1 4 15 22 13 11 5 3 6 17 25 6 3 3 2 5 18 9 6 16 8 10 4 3 3 6 5 5 8 13 17 5 3 7 5 8 2 8 9 8 1 15 19 9 17 11 8 4 8 5 3 4 5 5 2 3 3 2 3 4 2 4 32 93 100 25 4 2 2 4 3 2 1 1 1 2 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 7 7 7 6 8 6 5 5 5 3 8 21 52 27 11 1 1 2 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 31 30 ddd 2H J 37 62 121 \| 29 29 ddd 2H J 37 63 121 \| 26 25 m 3H \| 25 24 ddd 2H J 37 62 141 \| 17 15 m 2H \| 14 12 m 6H \| 9 8 m 6H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccccc1)N1CCCC(CS(=O)(=O)Cl)C1	ir: 6 22 10 8 13 2 6 10 15 15 19 12 9 5 2 2 3 7 3 4 2 1 2 6 6 1 1 1 2 2 4 2 2 1 0 2 3 1 4 7 21 7 5 1 2 1 1 1 1 5 3 1 1 1 1 1 1 1 1 2 1 1 1 1 3 4 9 31 14 28 8 3 2 1 1 1 1 2 5 1 1 0 1 4 5 67 30 4 5 8 3 2 4 1 0 1 2 7 3 2 3 1 1 3 5 5 6 12 22 17 7 4 9 3 1 2 3 3 3 4 5 8 6 7 4 4 8 4 5 2 2 2 5 5 9 9 2 4 2 1 1 2 3 12 2 2 1 1 1 3 100 11 2 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 2 5 6 5 5 1 3 1 3 2 7 22 13 9 32 8 5 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 d 4H J 43 \| 73 73 m 1H \| 52 51 s 2H \| 38 38 dd 1H J 62 108 \| 37 36 m 1H \| 36 35 m 2H \| 35 33 m 2H \| 25 24 m 1H \| 20 19 dddd 1H J 63 78 90 119 \| 19 17 ddtd 1H J 38 64 88 128 \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1sc2ncccc2c1C	ir: 6 13 19 20 24 19 20 9 13 24 6 8 9 8 32 36 9 7 7 6 5 6 18 10 12 24 9 7 6 5 6 9 12 8 18 100 66 41 16 7 12 6 7 6 9 8 5 5 5 6 6 6 8 9 6 6 7 7 6 5 6 26 27 18 7 5 5 5 8 13 13 6 9 8 9 17 17 7 5 8 67 56 8 8 6 14 34 8 6 5 6 5 5 5 6 5 5 5 5 7 7 5 6 6 4 5 7 6 0 66 30 17 16 16 19 10 24 26 31 18 14 8 10 14 38 34 14 9 9 9 6 23 7 6 6 6 7 5 16 9 15 7 30 44 10 4 6 32 63 39 46 0 4 26 38 22 14 38 31 10 5 7 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 5 5 5 5 5 4 6 6 7 8 8 6 5 6 7 5 5 5 6 7 7 10 13 46 41 29 15 46 20 7 8 6 5 5 6 5 4 5 6 5 5 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4; 1HNMR: 86 86 dd 1H J 21 39 \| 82 82 dd 1H J 20 75 \| 74 73 dd 1H J 38 73 \| 44 43 q 2H J 64 \| 27 27 s 2H \| 14 13 t 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC(c2ccc(Br)cc2)C1	ir: 1 3 3 1 1 1 1 2 1 2 2 7 5 10 2 20 1 1 1 1 4 5 0 1 1 1 1 1 2 1 0 0 0 1 1 1 0 0 0 1 1 5 1 1 0 0 1 1 2 8 6 4 3 21 9 26 1 1 1 1 2 4 4 1 1 0 1 1 4 4 1 1 1 8 5 8 2 3 1 8 3 2 1 1 1 2 3 1 2 1 11 21 2 16 5 6 4 1 2 2 3 4 1 0 1 0 0 0 0 0 0 0 0 0 0 1 1 5 0 0 1 1 0 16 4 3 1 1 1 1 2 1 2 6 21 11 11 4 3 7 4 2 0 5 34 100 25 6 2 3 3 2 3 3 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 6 1 3 1 1 3 7 9 13 25 28 25 21 6 5 1 3 1 0 1 1 1 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 m 2H \| 72 72 m 2H \| 32 31 m 1H \| 31 30 dd 2H J 62 150 \| 28 27 dd 2H J 62 149	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(/C=C/C#N)ccn1	ir: 5 5 6 6 8 12 26 8 5 7 5 16 39 12 6 7 6 6 6 7 8 7 6 7 6 7 8 7 13 7 8 7 8 17 10 10 8 5 5 7 6 5 5 11 10 0 10 4 5 6 6 5 5 6 5 5 6 11 7 9 7 29 15 8 25 14 11 15 13 17 15 9 11 15 31 22 18 8 6 9 7 12 6 7 6 6 5 7 14 11 8 5 5 6 6 6 6 6 5 7 29 15 7 6 9 12 11 8 6 6 6 6 7 9 9 11 9 7 9 7 8 10 13 14 13 9 8 7 16 14 18 33 8 9 9 10 10 13 10 9 7 5 7 6 7 20 17 54 7 6 7 6 6 9 7 17 36 9 6 5 5 8 12 15 9 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 7 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 6 6 7 6 7 6 6 9 9 9 8 9 9 12 23 30 100 27 84 26 10 7 7 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 85 85 d 1H J 46 \| 73 72 dd 1H J 22 47 \| 70 70 dd 1H J 7 136 \| 70 69 dd 1H J 10 21 \| 63 62 d 1H J 135 \| 28 28 qd 2H J 9 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.
O=C(NCCO)c1cccc(-c2nc(=O)c3ccccc3s2)n1	ir: 1 2 5 2 2 2 3 2 1 3 2 3 3 4 2 4 2 3 3 5 5 4 6 3 4 5 5 3 4 4 4 2 3 3 3 8 3 0 1 5 25 100 11 1 2 3 2 1 2 16 2 0 1 2 1 0 1 2 1 0 1 2 1 1 3 8 1 1 2 2 1 1 1 1 2 1 1 1 1 2 3 3 1 1 3 3 2 1 2 2 1 2 4 6 4 8 14 9 8 3 4 2 1 1 1 1 11 2 2 1 0 1 3 3 1 3 2 2 1 2 5 8 1 1 2 1 1 2 6 12 3 2 2 1 2 2 2 11 3 2 5 1 1 5 33 14 3 8 1 1 1 6 14 2 3 0 1 8 13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 4 11 7 8 18 21 6 18 9 5 3 2 1 1 1 1 2 2 1 2 2 1 1 1 2 2 4 23 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; 1HNMR: 84 84 dd 1H J 13 66 \| 81 80 dd 1H J 12 79 \| 80 79 m 2H \| 79 79 dd 1H J 18 71 \| 78 78 t 1H J 60 \| 77 76 td 1H J 16 72 \| 76 75 td 1H J 17 69 \| 54 54 t 1H J 57 \| 36 36 dt 2H J 47 57 \| 34 33 dt 2H J 47 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc(-c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)c1	ir: 0 1 1 2 1 2 3 2 2 2 5 3 3 4 5 3 5 5 7 8 2 39 62 7 5 9 2 2 3 2 2 4 3 2 2 2 2 1 2 6 5 1 13 100 7 11 8 0 45 79 64 13 4 8 5 1 3 3 2 0 2 2 1 0 1 2 2 1 6 6 5 1 2 3 6 2 24 7 16 12 3 4 1 1 3 3 3 2 5 5 2 13 8 4 1 2 2 3 2 4 2 2 1 1 2 2 8 2 2 1 1 2 3 13 13 10 8 9 4 8 6 5 11 6 14 7 5 3 5 16 2 2 3 2 1 2 4 4 5 4 5 6 7 5 20 17 12 7 6 38 12 2 4 6 1 2 2 1 2 3 9 24 7 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 0 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 2 1 1 1 2 2 1 3 2 2 4 8 9 21 91 53 6 3 2 2 2 4 1 37 50 1 4 1 1 1 1 1 2 2 1 3 6 12 22 12 30 6 3 3 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 83 81 m 3H \| 78 76 m 3H \| 76 76 m 3H \| 73 72 dtd 1H J 11 29 79 \| 72 71 m 1H \| 41 41 d 2H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N1CCC(Cc2ccccc2)(c2cccc(OCCNS(=O)(=O)c3cn(C)cn3)c2)C1	ir: 3 3 7 12 3 2 10 8 10 15 21 14 2 10 6 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 3 5 13 7 11 3 3 1 4 3 4 2 2 5 2 2 14 13 11 6 8 5 4 13 10 8 9 11 6 2 3 5 12 1 6 6 6 14 13 7 18 50 5 7 5 3 16 14 7 7 2 2 3 3 16 5 4 8 74 100 9 8 3 3 3 7 17 3 2 1 3 4 4 5 19 5 3 5 13 12 8 3 9 10 5 3 11 4 4 2 4 4 3 7 7 11 4 8 4 4 3 6 2 4 4 6 1 1 1 2 3 2 2 5 8 5 2 0 0 1 0 1 1 1 1 6 3 1 0 0 0 1 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 2 2 3 2 2 6 4 4 5 2 2 3 4 7 30 16 20 46 22 5 2 2 1 1 1 2 1 1 0 0 1 0 0 0 0 0 1 1 16 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 d 1H J 16 \| 76 76 m 1H \| 73 72 m 4H \| 72 71 ddd 1H J 13 21 77 \| 70 69 ddt 2H J 8 25 53 \| 69 68 ddd 1H J 13 22 75 \| 68 68 t 1H J 21 \| 62 61 t 1H J 71 \| 43 42 t 2H J 49 \| 37 37 d 3H J 6 \| 35 34 dd 1H J 8 123 \| 34 34 dt 2H J 48 71 \| 32 32 dd 1H J 7 123 \| 31 31 dt 1H J 9 137 \| 30 29 ddd 1H J 29 47 118 \| 29 28 m 3H \| 23 22 ddd 1H J 29 48 128 \| 20 19 ddd 1H J 29 47 131 \| 11 11 dd 6H J 61 118	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(C=O)n3)c2)cc1	ir: 1 1 2 4 3 6 8 2 2 3 2 2 2 2 2 1 1 1 2 1 5 5 2 6 1 2 2 2 4 4 10 9 7 19 33 13 2 2 2 14 24 2 2 3 4 14 33 42 15 5 3 0 3 4 22 15 5 7 2 7 5 4 9 7 13 15 12 6 2 20 4 2 15 1 2 2 2 3 33 4 14 6 10 9 2 2 1 1 5 1 1 1 2 3 9 2 2 2 3 3 6 6 2 18 10 3 2 1 1 1 1 1 1 1 3 3 2 2 4 2 2 2 3 3 4 3 3 5 26 17 3 4 2 2 6 6 98 8 12 4 2 2 1 1 2 6 13 87 30 4 12 3 20 22 23 17 33 8 11 5 2 2 2 2 16 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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 2 2 1 2 3 3 1 6 11 16 50 100 86 17 7 3 7 6 2 1 2 3 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 87 dd 1H J 16 40 \| 87 87 m 2H \| 87 86 d 1H J 22 \| 86 85 dd 1H J 15 76 \| 79 79 m 2H \| 78 78 ddd 1H J 17 72 87 \| 76 75 m 2H \| 72 71 ddd 1H J 14 40 73 \| 70 69 m 2H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC1CN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1	ir: 7 7 3 4 4 5 8 10 5 4 5 23 10 11 26 21 26 16 16 52 8 11 12 6 4 7 2 2 2 7 11 12 11 5 2 2 2 4 2 2 4 3 4 0 2 27 5 3 3 4 32 2 17 26 100 60 35 9 6 7 4 2 2 1 7 5 3 3 10 9 3 3 4 2 2 3 2 7 2 3 6 29 3 2 2 3 5 13 15 5 5 14 10 21 35 61 34 17 5 4 9 15 17 30 8 6 6 4 8 14 14 19 7 9 0 4 5 7 4 7 8 5 2 7 6 4 4 3 9 17 6 3 4 5 3 2 1 2 1 2 2 2 1 1 2 1 6 17 41 32 6 2 13 4 2 2 2 1 2 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 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 2 1 1 3 3 3 7 6 11 18 34 14 7 3 4 16 30 6 7 2 3 3 2 2 2 2 2 4 10 57 67 18 8 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 0 1 1 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 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 4H \| 71 71 m 4H \| 39 38 m 1H \| 38 38 t 1H J 55 \| 37 36 ddd 1H J 40 55 117 \| 34 34 ddd 1H J 38 55 117 \| 34 33 dt 1H J 28 72 \| 31 30 dp 1H J 38 77 \| 30 29 dd 1H J 37 117 \| 29 28 m 1H \| 28 26 m 4H \| 26 25 m 2H \| 19 18 td 2H J 70 87 \| 16 15 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cc(C=CC(=O)NC2CCNC(=O)C2)nc1-c1ccccc1	ir: 6 3 3 2 4 7 8 3 3 4 5 6 1 5 2 3 4 4 22 14 9 4 13 9 8 5 6 16 27 52 25 28 12 11 7 4 3 25 43 20 11 4 20 35 5 3 2 1 5 5 5 2 1 4 4 5 3 2 1 2 10 1 7 17 13 9 8 2 14 6 8 13 3 2 2 1 4 1 8 1 3 10 20 13 6 2 3 2 1 1 1 2 4 1 1 1 2 1 2 1 1 3 12 13 3 5 5 4 2 8 24 15 8 7 10 6 6 4 1 8 13 7 8 13 7 21 9 6 7 14 7 17 10 18 51 44 12 6 4 7 9 5 7 15 50 11 22 24 14 6 25 14 66 54 47 24 7 3 2 0 2 1 1 0 0 2 1 1 1 1 1 0 1 1 1 1 1 0 0 0 1 1 0 1 0 0 0 0 1 0 0 1 1 1 0 1 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 3 3 2 3 3 3 5 11 4 39 18 36 23 11 19 13 24 10 4 3 1 2 1 2 2 2 2 1 3 1 2 5 6 4 11 35 100 80 45 32 14 8 3 2 1 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 76 m 2H \| 76 75 m 3H \| 75 75 m 1H \| 74 74 m 1H \| 73 72 d 1H J 82 \| 67 66 d 1H J 159 \| 64 63 t 1H J 41 \| 41 41 qd 2H J 9 56 \| 40 39 dp 1H J 54 82 \| 34 33 dddd 1H J 25 40 51 143 \| 33 32 dddd 1H J 26 40 51 143 \| 27 26 dd 1H J 57 165 \| 24 23 dd 1H J 57 165 \| 20 19 dtd 1H J 26 51 141 \| 17 16 dtd 1H J 26 51 141 \| 15 14 t 3H J 55	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)COc1ncc(Br)cn1	ir: 3 3 6 2 2 2 4 2 1 3 6 5 2 3 3 2 2 2 5 3 8 20 8 7 4 7 4 12 5 3 4 5 4 9 29 55 83 59 15 31 9 6 5 1 2 3 7 7 3 4 5 5 5 3 10 6 3 3 2 2 2 2 3 9 9 9 3 5 6 4 6 4 9 10 10 22 10 3 2 1 2 2 1 1 2 3 2 1 2 2 1 2 3 5 4 6 24 32 6 9 2 11 5 3 2 2 2 2 2 2 6 4 2 6 17 9 4 14 24 39 25 25 22 100 55 58 34 15 22 21 9 2 2 2 3 2 1 4 4 3 11 16 93 94 79 30 15 12 5 6 10 13 13 4 3 19 10 87 3 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 3 5 3 2 3 3 4 3 4 5 2 5 5 5 5 17 14 9 6 3 2 3 1 2 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 s 2H \| 50 49 s 2H \| 43 42 q 2H J 66 \| 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.
COC(=O)Nc1cccc(F)c1-n1cc(C=O)c(C)n1	ir: 7 8 17 3 2 4 7 6 4 3 3 2 2 2 1 2 2 1 1 2 3 3 4 13 31 9 1 3 10 8 3 5 8 13 8 4 7 12 26 18 18 6 7 9 5 16 27 99 37 13 5 5 3 2 2 1 1 1 1 1 2 22 6 3 19 4 2 9 15 49 7 5 2 1 3 2 1 0 1 4 4 16 4 2 2 1 1 1 0 0 1 1 1 4 3 1 0 1 1 2 1 1 3 24 6 9 24 13 9 2 2 1 3 10 2 4 1 3 4 2 2 2 2 2 1 1 1 10 2 1 1 3 2 2 2 45 8 9 8 38 17 21 77 58 17 3 2 13 52 35 12 55 23 4 3 1 1 7 11 31 8 13 4 4 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 2 21 2 1 1 1 1 1 0 2 2 2 2 4 5 14 12 10 15 47 17 23 10 7 3 3 3 2 1 1 2 2 3 1 2 1 2 4 4 2 3 14 23 100 15 8 2 2 1 1 1 1 1 1 1 1 1 1 1 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 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 100 100 s 1H \| 89 88 s 1H \| 82 81 s 1H \| 76 76 dd 1H J 12 70 \| 74 74 td 1H J 51 70 \| 73 72 ddd 1H J 11 70 101 \| 30 30 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.
Cc1cccc2nc(C(C)C)oc(=O)c12	ir: 0 1 2 2 1 2 2 1 1 2 4 1 2 5 17 57 9 6 25 8 4 10 4 3 2 34 5 1 0 1 2 1 1 2 4 1 0 1 1 0 1 2 1 0 2 4 29 34 7 6 5 9 2 3 1 0 1 2 6 0 1 2 1 0 1 8 4 0 1 3 2 4 5 4 5 4 12 2 7 12 15 3 3 2 1 1 1 0 1 1 1 1 9 7 0 1 2 2 0 1 3 2 1 2 2 12 11 5 8 8 12 86 2 3 2 11 2 5 8 6 7 19 60 13 3 2 5 18 9 6 2 2 2 1 2 5 2 6 54 20 4 3 93 9 4 51 3 1 1 2 1 7 79 1 0 1 1 2 75 10 16 4 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 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 1 0 1 1 0 0 1 1 0 2 3 6 1 1 2 2 1 2 3 6 6 4 6 5 19 11 7 5 100 16 9 4 1 1 2 1 1 1 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 76 m 1H \| 75 75 dd 1H J 15 80 \| 74 74 ddt 1H J 8 15 82 \| 31 31 dt 1H J 70 141 \| 25 25 d 3H J 7 \| 12 12 d 6H J 70	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCCNC(=O)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12	ir: 6 8 6 4 5 5 6 4 3 5 6 4 3 6 6 4 3 5 5 3 4 6 6 3 8 9 6 2 7 7 8 11 15 14 10 8 7 6 6 6 9 16 14 23 16 10 14 10 7 13 62 10 5 5 4 5 12 7 5 3 5 8 4 9 4 6 4 4 10 43 6 4 6 9 10 6 6 6 7 5 4 6 4 5 5 8 6 20 7 7 11 6 6 6 4 6 11 6 0 7 24 15 5 4 5 4 5 5 6 5 3 6 31 7 4 11 16 5 4 6 6 8 5 12 7 6 12 6 8 4 4 6 13 7 4 6 15 5 5 10 5 3 4 6 10 24 15 21 10 7 14 5 7 5 10 6 17 8 4 5 7 18 17 9 5 3 7 9 5 2 4 5 4 2 4 5 3 3 4 5 3 3 4 5 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 4 5 4 3 4 5 4 2 4 5 4 3 4 5 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 4 5 4 4 4 5 4 5 6 6 9 100 30 7 6 4 4 5 4 3 4 5 4 3 4 5 5 4 5 5 4 5 7 7 16 9 42 45 11 11 8 8 5 3 5 4 3 4 5 4 3 4 4 4 3 3 4 4 3 4 4 4 3 4 5 4 3 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 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 86 86 d 1H J 42 \| 84 83 d 1H J 113 \| 82 82 dt 1H J 9 18 \| 79 78 m 1H \| 79 78 s 1H \| 78 78 t 1H J 53 \| 77 76 m 1H \| 74 73 m 2H \| 73 72 m 1H \| 70 70 d 1H J 42 \| 33 33 q 2H J 53 \| 28 27 t 2H J 59 \| 23 23 s 5H \| 19 18 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn(C)c(=O)c(C)c1O	ir: 6 6 6 8 9 7 7 7 7 6 6 6 7 6 9 9 13 6 6 6 6 6 7 6 8 8 11 14 19 23 14 9 7 7 6 9 11 9 6 9 8 2 4 17 61 100 10 0 5 10 6 4 6 8 6 4 6 7 6 5 6 7 6 6 7 8 6 6 6 7 6 5 7 8 7 7 7 7 6 6 6 6 6 6 7 9 10 21 14 8 6 6 7 7 5 7 8 18 12 9 7 7 6 6 11 6 6 6 6 6 6 10 8 6 6 6 7 7 10 8 11 9 6 8 7 6 8 7 6 8 6 6 6 6 9 7 6 6 6 6 8 7 6 6 6 8 7 26 16 6 6 6 6 7 6 27 8 5 6 7 6 6 6 6 12 5 6 7 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 6 6 6 6 6 6 7 6 6 6 7 6 7 9 7 6 6 7 11 16 43 12 10 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 88 87 q 1H J 9 \| 43 43 q 2H J 71 \| 35 34 d 3H J 9 \| 20 20 s 3H \| 13 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2cccc(Br)c2nc1NC1CCCC(N)C1	ir: 4 11 8 16 13 5 3 13 12 13 20 33 36 8 8 2 2 3 4 3 6 13 28 9 2 5 2 2 2 5 3 4 9 3 2 2 1 1 1 2 2 3 2 13 27 100 18 1 7 5 2 2 10 8 19 8 8 34 13 7 5 4 7 6 3 4 6 10 9 3 3 4 5 11 21 17 27 10 4 31 10 13 14 4 3 1 1 5 3 2 1 1 0 38 1 3 3 2 1 1 2 9 2 2 3 11 30 5 9 27 6 12 8 5 5 5 11 6 12 7 10 12 14 15 8 10 51 24 7 21 63 30 6 16 17 29 23 13 13 20 7 6 11 2 2 3 61 2 19 2 2 2 1 2 8 13 4 1 5 2 2 5 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 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 2 2 2 3 6 3 3 4 3 3 7 9 5 10 6 7 4 23 21 5 2 2 1 4 2 1 3 3 2 7 17 39 26 12 16 11 6 3 14 41 44 70 50 14 13 7 0 2 3 4 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 80 79 dd 1H J 12 83 \| 79 78 dd 1H J 11 93 \| 76 75 dd 1H J 83 93 \| 60 59 d 1H J 88 \| 41 40 dddd 1H J 54 61 88 115 \| 32 31 pt 1H J 42 53 \| 24 24 s 2H \| 20 19 m 2H \| 18 16 m 7H \| 16 15 m 1H \| 14 13 dddd 1H J 42 57 84 141	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC(NC(=O)OCc1ccccc1)c1cc(C=O)on1	ir: 31 6 6 12 4 6 2 4 4 8 3 4 3 3 3 3 2 4 2 5 4 4 7 5 5 11 15 10 10 13 45 27 15 16 5 3 4 2 9 12 22 11 4 2 3 4 3 2 2 2 2 2 7 3 3 2 3 3 3 3 3 2 2 2 2 6 14 13 9 17 8 2 4 3 4 5 8 9 4 4 2 3 2 2 2 2 4 4 4 18 2 3 2 2 2 2 3 7 6 5 5 3 2 12 3 5 7 7 6 3 7 8 9 26 8 5 5 5 3 6 6 4 5 4 4 2 3 3 3 2 2 4 3 5 14 26 8 14 4 3 4 4 21 23 13 100 34 8 10 74 0 7 5 1 1 4 2 0 1 3 7 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 4 2 2 2 3 3 4 4 3 3 7 4 5 4 14 7 17 68 33 35 10 5 6 4 2 3 4 3 2 1 2 2 2 3 2 3 2 2 2 3 4 10 99 7 2 2 3 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 97 96 s 1H \| 74 73 m 6H \| 71 71 s 1H \| 60 59 d 1H J 79 \| 51 50 s 2H \| 50 49 ddd 1H J 60 68 79 \| 20 19 ddd 1H J 65 92 148 \| 18 17 m 2H \| 8 8 d 3H J 63 \| 7 7 d 3H J 63	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(OC)cc3)n(CC(=O)O)c2c1	ir: 2 1 1 1 2 4 3 3 0 2 2 6 12 2 3 3 3 2 1 6 19 100 24 8 5 4 4 0 1 2 2 0 0 1 1 2 1 2 1 1 2 2 4 1 1 3 2 0 1 2 1 0 1 3 9 12 13 3 1 0 3 2 3 3 2 3 5 2 3 6 1 0 2 2 2 2 3 4 11 12 4 3 2 2 2 2 2 3 2 1 1 1 1 1 1 1 2 2 2 2 3 2 1 1 1 1 2 1 1 2 2 3 3 6 6 2 7 8 5 4 3 1 1 4 7 3 1 2 2 2 1 3 2 2 1 1 1 1 1 1 2 2 3 12 4 16 6 7 4 1 3 3 2 1 0 1 1 0 0 1 1 0 0 2 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 1 1 0 0 1 1 0 1 1 1 2 1 2 1 0 1 2 2 1 6 7 8 49 10 1 2 1 1 2 2 0 12 50 5 2 1 0 1 1 0 0 1 1 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 78 m 3H \| 75 75 m 2H \| 70 69 m 2H \| 50 50 s 2H \| 39 39 s 2H \| 38 38 s 2H \| 35 34 p 1H J 54 \| 20 19 m 2H \| 17 14 m 9H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CC[C@@H](CN2C=NC3N=C(Cl)N=C(N[C@H](C)C4CCC4)C32)CC1	ir: 8 12 9 12 9 8 14 7 13 9 9 4 6 6 4 11 4 9 2 2 5 5 11 8 2 4 3 2 5 2 5 3 4 5 3 3 3 2 2 2 3 3 2 2 3 2 1 1 2 2 1 1 2 2 1 4 2 3 2 2 5 5 6 3 5 3 3 3 2 2 2 2 8 3 4 2 4 3 11 2 4 2 2 4 3 3 2 15 3 4 2 4 4 5 3 3 5 2 1 2 6 15 26 3 7 63 21 4 4 9 7 3 6 9 10 8 4 5 3 3 4 4 2 3 1 3 3 4 1 3 3 1 2 4 6 1 1 4 6 1 9 5 6 0 6 16 100 38 6 0 1 4 2 1 2 0 4 0 1 2 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 2 2 1 5 4 3 7 5 4 6 11 4 3 3 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 3 3 1 3 3 7 6 24 30 4 2 3 2 7 3 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; 1HNMR: 78 77 tt 1H J 9 17 \| 75 74 d 1H J 75 \| 52 51 dd 1H J 18 81 \| 47 46 dd 1H J 17 82 \| 38 37 m 2H \| 36 35 ddd 1H J 9 60 106 \| 18 18 tddd 1H J 15 34 68 84 \| 17 16 m 7H \| 15 13 m 7H \| 12 11 ddd 4H J 15 51 84 \| 11 11 m 1H \| 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)c1ccc2c(c1)NC(=O)CS2	ir: 3 13 27 14 8 17 24 30 27 33 4 4 6 5 4 5 4 3 3 4 6 6 2 4 4 3 3 6 5 7 19 58 39 29 11 6 9 4 4 5 4 3 10 22 16 4 15 13 27 20 8 5 4 2 41 20 24 7 3 1 3 4 4 3 3 4 3 11 14 7 3 3 3 4 3 4 4 4 4 2 3 3 2 2 4 7 4 5 5 4 2 4 4 4 0 2 15 86 32 30 6 12 7 3 1 3 4 3 2 4 5 27 13 11 9 44 23 17 25 34 6 9 9 19 16 10 5 4 7 8 16 26 11 8 3 3 2 4 3 3 3 20 31 9 5 23 18 6 4 17 23 22 79 100 31 40 25 12 5 3 3 0 3 23 68 8 3 1 3 4 3 1 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 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 4 3 3 4 5 10 8 4 4 5 5 4 4 6 15 27 12 75 41 22 11 5 5 6 4 3 3 3 4 4 4 3 3 3 3 4 3 4 10 16 16 22 28 28 42 11 8 5 5 4 5 5 3 3 3 2 2 3 3 3 3 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2; 1HNMR: 84 83 d 1H J 22 \| 79 78 dd 1H J 21 78 \| 75 74 d 1H J 79 \| 39 39 s 3H \| 38 38 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1c(CBr)ncc2ccc(C)nc12	ir: 2 2 2 3 2 3 6 2 3 5 3 3 3 2 2 2 5 3 2 4 3 2 2 3 5 2 2 2 3 2 3 3 2 2 2 3 2 3 2 2 2 4 3 5 3 4 2 3 4 4 27 50 3 3 5 9 5 3 9 5 3 2 3 3 3 4 3 2 2 7 2 3 4 3 3 3 3 4 3 7 2 2 2 2 3 9 3 3 2 2 2 4 2 2 3 2 2 2 3 2 4 2 3 3 5 4 8 4 4 5 2 2 3 3 3 4 3 4 4 4 3 2 3 3 3 3 3 4 3 9 6 4 3 7 12 4 4 3 3 3 5 31 3 7 13 3 3 2 7 5 2 2 13 2 3 9 100 3 3 2 2 2 2 3 2 28 3 0 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 4 3 3 4 3 3 4 4 17 6 4 10 13 5 3 3 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 88 88 d 1H J 21 \| 82 81 dd 1H J 20 82 \| 74 74 m 1H \| 46 45 s 2H \| 34 33 t 2H J 75 \| 26 26 d 3H J 7 \| 19 18 h 2H J 76 \| 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.
COC(=O)COc1cc(C)ccc1CCl	ir: 7 5 2 3 7 4 4 4 6 3 1 3 5 2 2 4 6 2 4 9 4 2 1 4 4 3 3 20 6 2 2 6 4 1 1 4 3 1 1 5 4 2 2 6 5 5 7 11 4 0 3 6 4 15 10 7 3 0 7 12 3 0 4 13 11 3 5 8 13 1 8 55 11 1 3 4 2 1 3 4 1 1 4 4 1 1 4 4 2 4 5 6 3 3 6 18 12 9 8 11 7 6 6 4 2 2 5 4 2 3 6 3 0 2 5 3 0 6 8 4 14 17 15 3 3 7 6 3 4 10 8 3 1 3 4 1 1 4 4 2 3 7 7 4 100 13 7 3 4 17 13 1 3 14 6 1 2 4 3 1 2 12 4 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 1 4 3 1 4 4 3 2 3 9 7 1 3 5 4 1 4 11 15 18 15 57 20 11 4 4 3 2 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1; 1HNMR: 72 71 dt 1H J 9 81 \| 69 68 ddd 1H J 9 20 86 \| 67 67 m 1H \| 47 47 s 2H \| 47 47 d 2H J 9 \| 38 37 s 3H \| 23 23 d 3H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2ccc(S(=O)(=O)Cl)s2)cc1	ir: 6 6 15 11 7 11 8 5 0 11 25 17 20 18 14 32 11 14 7 43 35 15 24 10 7 7 5 5 3 5 9 7 13 8 9 10 12 8 8 3 4 9 18 3 5 7 5 3 13 10 11 1 15 50 38 27 52 12 8 12 44 54 15 44 36 26 12 6 6 22 5 1 7 30 13 34 17 11 7 7 6 18 79 41 42 21 6 4 11 6 4 2 5 14 4 4 4 4 2 3 7 6 14 22 68 25 17 7 4 3 2 4 13 7 3 3 5 3 3 4 5 3 3 4 4 6 2 8 5 3 2 3 4 3 4 14 5 4 2 3 3 2 3 3 3 3 5 13 36 9 14 16 16 10 5 6 4 1 2 5 3 0 9 4 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 2 3 6 8 8 20 47 100 73 34 29 22 5 5 5 5 4 3 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4; 1HNMR: 79 79 d 1H J 73 \| 77 77 m 2H \| 75 75 d 1H J 71 \| 71 70 m 2H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c2c(c(C)c3c1NC(C)(C)C3)OC(C)(CN1CCC(c3ccccc3)CC1)C2	ir: 6 7 4 1 2 4 1 3 3 6 4 5 3 3 1 2 1 1 1 1 1 1 1 2 8 14 7 3 2 4 8 5 1 2 2 1 2 3 2 3 27 27 2 2 1 1 1 1 1 0 4 1 3 1 1 4 1 0 2 2 1 3 7 4 3 1 2 3 2 3 4 9 7 2 2 2 1 2 3 6 2 28 3 4 1 11 11 1 2 2 1 3 2 1 1 1 1 3 4 1 5 3 2 2 1 6 2 2 4 1 2 3 4 5 2 2 3 15 3 6 4 2 6 5 11 5 3 5 7 19 3 3 5 12 7 27 14 9 2 10 73 19 8 7 17 4 3 2 6 2 2 2 4 2 0 2 2 12 2 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 2 2 3 3 6 2 2 3 2 8 4 11 22 11 10 39 22 5 5 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 5 4 10 24 100 5 5 3 3 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 1 1 1 1 0 1 1 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 2H \| 73 72 m 3H \| 33 32 d 1H J 154 \| 31 31 d 1H J 128 \| 31 30 s 1H \| 30 28 m 4H \| 28 27 m 3H \| 25 24 ddd 2H J 49 77 119 \| 24 23 s 2H \| 22 22 s 2H \| 21 20 ddt 2H J 52 77 129 \| 18 17 ddt 2H J 52 77 128 \| 14 14 d 9H J 38	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCS(=O)(=O)Nc1cccc(N)c1C#N	ir: 11 42 17 40 24 31 18 8 10 9 4 19 15 8 3 22 13 6 4 7 7 5 2 10 8 9 6 9 8 3 4 6 16 7 10 10 9 10 4 15 10 8 9 7 7 4 4 9 15 8 10 14 13 13 9 8 8 3 3 6 3 2 3 5 2 2 4 7 22 5 7 9 4 2 4 5 2 1 4 6 3 3 9 20 14 5 37 65 6 2 4 6 3 3 6 9 3 2 5 5 7 6 16 12 12 15 9 7 1 3 3 5 7 19 6 4 1 4 10 7 5 8 28 14 14 4 7 3 1 3 4 2 2 3 3 2 1 6 3 2 6 10 4 1 1 3 3 1 1 7 3 1 2 7 20 11 3 9 15 28 50 26 10 1 2 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 2 2 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 2 2 1 3 3 2 2 5 4 3 1 2 4 6 2 3 6 8 2 9 13 15 3 2 3 2 2 3 4 2 1 2 3 1 1 3 3 2 14 18 5 2 1 4 4 6 28 28 13 18 97 100 6 3 3 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 1 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0; 1HNMR: 82 82 s 1H \| 73 73 m 2H \| 66 65 p 1H J 44 \| 45 45 s 2H \| 31 30 t 2H J 78 \| 19 17 m 2H \| 11 10 t 3H J 84	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CC2(N)CC2)c(C)c1	ir: 1 1 1 1 3 3 1 1 1 1 2 1 2 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 3 2 1 1 1 1 2 2 2 2 4 4 2 3 2 2 2 7 12 9 10 9 7 3 5 4 5 52 8 6 3 3 0 2 3 2 1 6 4 2 2 1 1 1 1 3 3 5 2 4 2 1 1 5 2 2 3 2 2 3 4 2 2 2 4 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 7 8 2 3 2 5 3 4 3 4 4 6 7 10 17 14 20 42 10 7 8 4 2 2 1 1 2 3 4 2 2 1 2 3 3 2 3 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 10 3 3 11 15 8 3 2 3 4 3 2 1 4 4 3 2 7 24 35 24 7 6 3 4 10 100 32 5 4 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; 1HNMR: 70 70 dt 1H J 8 73 \| 70 69 m 2H \| 34 33 s 2H \| 29 28 d 2H J 8 \| 22 22 m 6H \| 14 13 m 2H \| 12 11 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N(CCO)CC(O)c1ccc(Br)c(Cl)c1	ir: 5 7 2 3 4 5 2 2 2 5 3 3 7 2 2 4 3 2 2 2 6 1 1 4 2 1 3 3 2 1 1 1 1 1 3 1 1 1 3 2 2 1 1 2 1 1 2 1 1 1 1 2 1 1 3 6 1 1 2 1 1 2 1 3 4 7 5 5 2 1 1 1 1 1 1 2 3 2 2 2 1 2 3 2 1 16 16 26 8 44 62 5 5 3 1 2 3 2 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 8 5 4 5 8 3 22 8 3 8 5 4 9 9 3 1 1 3 5 3 1 1 1 1 1 1 1 1 1 5 3 0 13 47 2 2 1 0 1 1 1 0 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 2 2 3 2 2 1 2 1 3 2 4 11 10 4 9 16 3 2 2 3 2 5 11 100 35 7 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 d 1H J 82 \| 74 74 dd 1H J 7 21 \| 72 72 m 1H \| 51 51 m 1H \| 42 41 d 1H J 57 \| 39 38 m 2H \| 38 37 dt 2H J 55 65 \| 36 36 dd 1H J 51 126 \| 35 34 qt 2H J 58 129 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CNC(=O)CC(O)C(=O)NCC(C)C	ir: 2 4 2 1 1 2 3 2 1 2 3 4 4 3 3 4 9 5 5 9 2 4 5 13 5 15 13 14 9 5 6 4 5 9 10 3 8 37 10 7 6 2 2 4 2 14 13 4 4 2 2 3 4 3 3 5 1 1 1 2 2 0 2 3 1 1 5 5 1 1 4 10 2 2 1 1 1 1 1 1 1 1 1 2 1 1 2 2 3 3 4 7 11 19 30 18 8 4 6 2 4 2 2 3 2 4 4 3 3 3 10 8 15 3 3 1 1 4 4 8 8 5 5 4 3 1 2 3 3 4 9 4 3 3 1 1 1 1 2 2 2 2 2 8 11 100 33 15 10 4 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 3 3 1 1 2 3 1 3 7 18 4 2 2 1 0 1 3 18 26 7 3 1 1 1 1 1 0 1 3 2 2 2 2 3 14 29 25 29 15 6 3 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 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 72 t 1H J 58 \| 64 64 t 1H J 57 \| 51 50 d 1H J 57 \| 47 46 td 1H J 56 75 \| 32 31 m 4H \| 28 27 dd 1H J 74 175 \| 25 25 dd 1H J 74 175 \| 19 18 m 2H \| 9 9 m 12H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C(C)/C=C/C(Br)=C(/C)c1ccc2c(c1)C(C)(C)CCC2(C)C	ir: 3 2 4 4 0 4 2 6 12 8 6 6 6 3 2 4 1 1 1 2 2 2 2 2 1 2 3 1 1 1 1 5 2 1 1 2 1 2 2 1 4 2 1 2 3 1 1 2 1 1 1 2 2 11 4 33 18 4 3 3 2 2 4 8 6 3 3 4 11 4 4 6 10 5 8 16 17 43 25 21 6 5 1 1 2 2 1 1 2 2 1 1 2 2 3 2 2 2 4 2 2 3 8 17 14 15 1 3 4 6 4 14 28 5 3 8 7 24 19 6 5 3 3 6 8 4 2 5 7 5 1 13 11 20 8 3 4 3 6 10 4 1 3 7 14 8 68 16 2 3 3 4 10 2 21 6 12 100 17 0 3 1 2 2 3 1 2 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 5 3 2 2 5 6 4 6 5 5 3 9 43 89 98 86 46 23 11 3 2 3 5 2 1 2 2 1 0 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 d 1H J 21 \| 74 74 dd 1H J 22 75 \| 73 73 dq 1H J 10 145 \| 71 71 d 1H J 75 \| 69 68 dq 1H J 10 145 \| 58 58 p 1H J 14 \| 43 42 q 2H J 62 \| 24 24 d 3H J 9 \| 21 21 t 3H J 12 \| 20 19 m 4H \| 13 13 d 12H J 62 \| 13 12 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C=C(/C)C#N	ir: 18 8 0 8 16 8 0 9 15 8 3 11 18 8 3 13 15 6 3 11 14 5 4 12 13 5 4 13 14 19 45 46 43 31 17 14 14 5 7 16 11 3 6 15 10 1 6 16 10 1 8 18 10 4 14 16 33 29 53 32 17 4 12 18 10 5 14 19 18 12 18 29 22 20 24 20 10 9 11 16 10 5 13 12 4 5 14 13 6 5 13 13 4 8 30 34 47 29 23 14 5 8 14 13 5 12 14 10 4 9 15 11 5 10 26 16 8 25 28 25 36 67 51 20 14 21 28 15 25 25 29 17 6 13 13 6 5 12 12 6 4 12 12 4 4 12 12 5 6 13 10 4 14 37 25 18 7 14 10 3 7 14 9 2 7 14 9 2 8 15 9 3 8 15 9 2 9 17 8 4 10 82 52 22 11 13 7 3 10 13 6 4 10 12 6 4 11 12 5 5 11 11 4 5 12 10 4 6 12 10 4 6 13 10 3 7 13 9 3 7 14 9 2 7 14 8 2 8 15 8 2 9 14 8 3 9 13 7 3 10 13 7 4 10 12 6 4 10 12 5 4 11 11 5 5 11 11 5 5 11 11 5 6 13 10 5 7 15 12 10 12 22 13 6 12 16 13 9 11 16 13 12 49 53 100 81 87 97 21 7 16 22 13 6 17 20 9 4 10 13 7 5 11 12 7 5 10 12 6 5 10 11 6 6 11 11 5 6 11 10 5 6 11 10 4 7 12 9 4 7 12 9 4 7 12 9 3 8 13 8 3 8 13 8 3 8 13 8 4 9 12 7 4 9 12 7 4 9 12 7 5 10 11 6 5 10 11 6 5 10 10 6 6 11 10 5 6 11 10 5 6 11 9 5 7 12 9 4 7 12 9 4 7 12 8 4 8 12 8 4; 1HNMR: 60 59 qq 1H J 16 61 \| 20 19 p 3H J 12 \| 18 18 dq 3H J 11 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CSC(C#N)=NSN2CCOCC2)cc1	ir: 10 4 5 5 9 6 7 6 7 2 4 6 22 29 6 3 3 7 11 2 2 4 3 2 1 3 4 5 14 33 22 11 8 12 6 12 6 20 17 6 6 4 3 2 3 7 4 6 4 3 4 4 11 48 40 15 12 5 76 5 7 34 13 4 6 12 11 4 6 32 8 3 15 14 1 2 3 7 26 18 4 4 18 25 6 6 5 6 12 24 12 10 16 28 33 11 7 20 5 2 3 2 0 1 2 1 0 1 3 2 3 4 7 10 1 3 4 1 1 2 3 1 2 2 6 5 13 9 4 4 3 3 22 55 100 18 3 1 1 2 2 1 1 2 1 1 5 60 61 10 2 5 5 5 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 1 1 1 1 1 2 2 1 1 2 4 1 5 3 2 2 3 4 3 12 51 9 30 45 28 10 5 6 8 4 2 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 72 71 dt 2H J 8 77 \| 71 71 m 2H \| 43 42 d 2H J 10 \| 38 37 m 4H \| 33 32 m 4H \| 23 23 d 3H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1cccnc1)c1ccc(Nc2ccc(Cl)n3ncnc23)cc1	ir: 1 4 6 4 2 4 9 4 2 3 2 11 7 18 15 7 3 9 13 2 2 5 3 1 0 1 1 1 1 1 1 1 1 4 3 1 2 1 1 1 1 2 2 2 1 1 0 1 2 3 3 4 6 23 16 30 100 39 3 1 1 2 4 2 8 10 2 2 1 5 14 7 3 1 1 1 1 1 1 2 3 1 1 2 3 16 16 10 6 4 2 1 2 2 2 6 13 7 5 6 2 1 1 3 10 22 7 3 9 1 1 1 1 2 6 1 2 4 10 7 13 4 4 5 6 2 1 2 5 4 2 2 4 2 1 2 3 1 1 2 4 4 20 19 12 5 6 34 9 3 3 6 3 2 3 2 3 20 2 2 1 1 9 4 1 1 1 13 3 1 1 1 1 4 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 1 1 2 1 2 4 3 3 4 8 10 46 93 91 12 12 8 3 1 2 2 1 1 1 1 1 0 1 1 1 1 1 2 3 6 9 29 40 14 2 3 4 2 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 dq 1H J 10 21 \| 85 84 ddd 1H J 13 20 42 \| 85 84 s 1H \| 82 82 t 1H J 66 \| 79 78 m 3H \| 78 77 dtt 1H J 9 19 79 \| 77 76 d 1H J 73 \| 75 74 d 1H J 75 \| 73 72 dd 1H J 43 78 \| 71 70 m 2H \| 46 45 dt 2H J 9 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2cc(Cn3cccc(C(=O)O)c3=O)ccc2c1	ir: 1 1 1 1 1 1 2 2 2 2 4 6 7 2 4 5 3 2 1 4 12 58 36 3 0 3 2 0 0 2 2 0 2 1 1 1 0 1 1 0 1 2 1 1 24 22 4 2 2 2 3 1 3 3 6 2 3 1 1 1 1 1 2 1 1 1 2 3 10 8 4 3 2 2 1 2 12 25 47 4 2 1 1 1 1 2 3 3 3 2 4 4 7 4 1 1 1 1 1 1 2 1 1 2 4 3 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 6 9 2 2 1 2 3 2 1 1 1 1 1 3 1 1 1 1 3 2 1 3 19 26 2 1 1 2 13 100 4 1 3 4 7 13 17 3 6 11 1 1 1 0 1 1 2 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 2 2 2 6 43 18 7 17 4 3 0 1 2 3 25 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 82 dd 1H J 13 81 \| 80 79 dq 1H J 10 75 \| 78 77 dd 1H J 22 88 \| 77 76 m 2H \| 74 74 m 1H \| 71 71 m 2H \| 69 69 m 1H \| 52 51 q 2H J 9 \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)c(Cl)c1=O	ir: 2 3 4 3 3 11 2 8 11 5 3 4 1 3 5 23 9 12 4 4 4 9 16 2 3 2 3 2 2 5 7 1 2 6 4 2 3 9 3 2 3 2 3 13 5 7 100 5 6 4 5 6 3 10 12 10 19 21 8 1 2 3 3 16 2 11 2 7 6 6 15 0 3 3 2 3 5 11 2 2 3 4 29 3 5 15 9 5 5 9 35 8 8 18 3 22 18 4 3 3 4 3 3 4 14 3 7 2 2 3 2 3 4 4 2 4 3 3 2 3 6 9 8 5 7 3 5 2 3 5 15 9 5 8 17 3 3 1 2 6 9 2 11 11 3 1 1 2 3 6 12 6 4 12 8 50 19 47 3 2 2 1 4 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 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 2 2 3 1 2 3 4 3 3 5 12 3 4 6 4 7 15 14 15 79 22 4 2 3 3 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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: 73 73 s 1H \| 70 69 dt 1H J 9 86 \| 69 68 dd 1H J 21 87 \| 67 67 dd 1H J 10 20 \| 37 37 s 2H \| 30 29 m 1H \| 29 28 m 9H \| 18 17 m 4H \| 16 15 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1CCCNC1C(=O)O	ir: 3 1 0 2 3 2 1 4 11 12 10 11 18 23 9 16 13 17 23 33 93 100 52 62 11 6 4 7 13 9 2 3 4 1 3 7 8 5 2 3 2 2 2 15 8 3 3 4 3 1 2 6 3 1 2 6 4 6 34 59 27 13 10 5 2 1 3 3 3 1 4 5 3 3 5 5 6 8 43 30 31 11 9 12 4 8 13 7 8 8 3 5 4 3 2 2 0 5 15 4 1 4 4 5 9 3 4 3 37 30 37 24 20 9 12 18 5 18 8 6 8 5 8 5 6 7 9 6 8 4 6 12 8 4 5 2 2 3 4 5 2 4 20 15 57 39 9 4 4 2 1 2 1 2 3 2 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 2 3 3 2 3 6 5 5 5 8 8 12 2 2 1 1 1 2 2 1 2 7 21 72 38 5 2 2 2 4 8 7 34 58 35 19 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 48 47 dt 1H J 39 67 \| 40 39 dd 1H J 66 86 \| 31 30 dddd 1H J 31 39 58 136 \| 29 28 m 2H \| 21 20 ddt 1H J 62 88 142 \| 19 17 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(Cl)cn1)c1oc2ccccc2c1NC(=O)C1CCN(Cc2ccncc2)CC1	ir: 12 12 11 19 15 12 13 17 12 11 10 10 11 10 11 10 10 11 11 11 12 12 12 13 11 10 11 13 11 12 12 14 21 17 18 20 14 14 12 13 13 16 39 19 17 13 18 14 17 11 16 20 18 0 100 40 45 26 13 10 12 15 13 11 13 13 10 10 12 19 14 26 17 14 11 13 11 14 12 21 16 13 13 11 13 16 24 11 14 34 14 13 12 12 11 11 18 23 13 12 13 14 11 10 11 10 13 12 15 11 10 14 11 11 11 10 13 11 10 12 20 14 11 11 12 12 12 11 14 20 13 13 13 16 12 12 20 18 12 13 16 14 19 14 13 14 17 21 19 45 32 20 30 12 15 13 12 9 33 59 21 16 11 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 9 10 10 10 9 10 10 10 9 10 10 10 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 12 12 13 12 18 18 24 43 27 24 28 11 12 11 11 10 10 11 10 10 11 11 10 10 10 11 10 11 12 17 33 32 30 27 13 12 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10; 1HNMR: 96 96 s 1H \| 93 92 s 1H \| 86 86 d 1H J 18 \| 86 85 m 2H \| 78 78 dd 1H J 16 94 \| 77 76 dd 1H J 19 80 \| 75 75 m 2H \| 74 73 ddd 1H J 13 68 88 \| 73 72 m 1H \| 72 72 dq 2H J 9 38 \| 37 36 t 2H J 9 \| 29 29 ddd 2H J 57 83 123 \| 27 26 ddd 2H J 56 83 123 \| 26 26 p 1H J 53 \| 22 21 ddt 2H J 54 84 138 \| 19 18 ddt 2H J 55 84 136	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCC(=O)NCCO	ir: 0 2 3 1 1 1 2 1 1 2 5 2 2 3 2 1 2 1 1 1 0 2 2 2 1 2 5 10 7 6 6 3 5 10 12 13 5 3 2 1 2 2 1 1 2 2 2 1 1 1 2 1 2 3 2 2 6 5 1 1 1 3 2 2 2 1 1 1 1 1 1 3 5 1 1 1 1 1 1 1 2 4 2 1 4 3 3 25 66 47 20 18 12 7 8 3 4 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 2 2 3 7 4 2 3 6 2 2 4 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 5 11 45 62 12 6 5 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 4 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 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 0 1 1 0 0 1 1 1 1 1 1 1 2 4 4 3 2 1 1 1 2 3 2 1 7 4 3 4 2 4 8 4 4 16 17 100 26 10 8 5 6 5 3 3 1 2 4 5 13 11 6 9 13 6 10 4 3 2 1 1 1 1 1 1 1 1 0 0 0 0 0 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; 1HNMR: 72 72 t 1H J 45 \| 46 46 t 1H J 57 \| 37 37 dt 2H J 49 57 \| 36 36 s 2H \| 34 33 q 2H J 47	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc2cc(-c3ccccc3)ccn2n1	ir: 2 2 3 2 1 2 2 1 1 5 8 4 5 5 18 12 5 3 6 8 100 62 12 5 8 4 1 8 4 3 4 31 0 3 3 3 2 2 2 2 3 11 8 2 2 3 3 1 2 2 3 1 30 31 5 3 2 2 2 3 2 2 2 2 2 2 3 2 4 2 3 9 12 6 15 9 7 84 77 18 2 2 2 4 8 4 14 14 6 3 2 2 2 4 2 2 3 3 1 2 2 2 1 2 2 2 2 27 2 2 2 2 1 2 15 3 14 9 8 7 3 3 3 3 4 3 2 3 10 24 23 2 3 2 4 14 2 2 3 1 3 28 21 7 3 7 11 6 3 3 3 7 21 8 3 4 23 2 2 2 6 2 2 2 2 2 7 1 2 2 1 1 1 2 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 2 2 2 1 1 2 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 2 2 2 2 1 3 4 11 4 19 73 35 33 39 7 9 7 4 3 50 49 24 2 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 2 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 88 88 d 1H J 68 \| 78 78 d 1H J 14 \| 77 77 dd 1H J 13 66 \| 76 76 m 2H \| 76 76 s 1H \| 75 74 m 2H \| 74 74 m 1H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)O[C@H]1C[C@@H]2C(=O)C(=O)[C@@]1(C)C2(C)C	ir: 0 4 10 8 2 4 6 4 0 6 11 15 25 39 15 6 2 8 9 7 21 7 6 9 22 9 5 3 4 8 10 6 13 6 5 1 2 5 5 4 3 6 4 1 2 5 5 5 3 7 4 5 3 7 4 2 8 18 8 1 5 7 6 12 8 19 42 13 10 12 10 8 62 9 11 4 7 8 4 2 6 5 2 1 7 9 29 18 10 7 4 4 15 21 1 4 6 12 3 17 53 47 7 9 9 7 2 6 17 17 8 8 11 22 13 7 17 32 17 12 9 16 22 24 14 21 37 9 10 20 8 14 10 4 4 15 13 4 2 6 6 2 1 16 100 45 31 7 6 2 3 6 5 2 2 5 4 2 3 5 3 1 3 5 3 0 3 5 3 1 3 6 3 0 4 5 3 1 4 5 2 1 3 5 2 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 5 4 1 2 5 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 0 3 5 3 1 3 5 3 1 3 5 2 1 4 4 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 4 3 5 12 9 8 7 6 9 8 11 7 7 9 24 26 22 37 22 13 2 6 6 3 3 5 6 4 2 5 10 4 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 4 3 1 3 4 3 1 3 5 3 1 3 5; 1HNMR: 54 53 dd 1H J 41 61 \| 32 31 dddd 1H J 16 31 59 72 \| 24 23 ddd 1H J 41 73 141 \| 22 21 dt 1H J 58 141 \| 20 20 s 3H \| 12 12 s 3H \| 11 11 d 3H J 14 \| 11 11 d 3H J 16	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1N=C(c2cccc(F)c2)c2cc(Cl)ccc2CS1(=O)=O	ir: 9 6 7 9 9 3 1 4 9 9 5 4 4 2 3 4 5 3 1 3 5 2 2 6 9 5 3 2 10 2 12 6 10 1 2 2 1 1 0 1 1 4 2 2 4 3 7 18 17 2 2 2 7 19 24 9 2 0 1 1 1 0 1 3 2 2 9 7 78 32 3 5 1 0 2 1 1 1 3 7 5 1 4 4 22 47 16 26 4 7 16 46 19 4 12 2 1 1 5 2 1 1 1 2 23 1 1 1 1 1 1 2 2 2 4 5 12 6 14 5 2 2 3 3 2 1 3 3 9 6 7 2 2 1 1 0 1 1 1 4 14 13 31 3 5 2 24 10 16 24 2 1 2 3 2 5 10 1 1 0 1 3 2 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 7 10 1 2 3 1 0 3 5 39 20 28 100 59 12 8 4 2 2 1 1 1 1 1 1 1 0 1 0 1 0 1 1 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 75 74 m 4H \| 73 72 m 3H \| 47 46 d 2H J 10 \| 33 33 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1nc(O)c(C(=O)OCC)cc1C(=O)OCC	ir: 3 8 5 3 3 4 5 4 2 3 2 5 2 4 5 7 10 6 13 16 4 5 4 1 2 3 7 9 8 4 5 2 2 1 4 4 3 4 6 16 13 10 15 5 3 3 2 2 2 2 2 1 1 1 1 2 1 2 2 1 1 1 1 1 1 2 6 2 5 5 4 2 3 6 3 5 6 2 2 2 5 7 4 2 7 12 4 1 2 1 1 0 1 1 2 1 1 1 0 2 3 4 25 22 4 2 1 2 4 3 3 3 4 4 6 4 7 2 6 4 1 2 2 2 1 2 3 2 3 4 3 13 11 11 18 2 4 3 2 1 0 12 16 3 5 38 21 10 5 6 1 4 7 72 100 3 1 1 1 1 2 2 3 2 1 1 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 3 2 1 1 2 2 1 1 2 1 1 2 3 5 8 6 8 3 4 13 8 5 36 27 2 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H \| 43 43 qd 4H J 18 64 \| 31 31 t 2H J 65 \| 17 16 qt 2H J 65 79 \| 14 14 t 6H J 64 \| 10 9 t 3H J 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccnc(CCl)c1	ir: 6 4 5 4 9 9 5 12 4 2 2 1 1 3 6 5 55 21 1 3 4 10 33 1 1 1 1 1 3 16 1 2 2 6 1 1 2 2 1 1 2 2 2 2 5 1 2 1 1 1 2 2 1 1 1 1 1 1 1 2 1 4 6 2 43 6 1 0 9 16 2 2 4 10 16 5 2 1 1 1 6 4 2 5 9 2 2 5 1 1 3 7 8 2 1 1 1 1 1 1 1 1 1 2 4 5 2 1 1 5 3 4 0 1 9 41 17 4 3 3 6 1 3 5 3 11 27 4 19 2 1 1 1 1 1 1 5 18 4 4 3 5 100 17 3 1 1 2 3 4 7 1 1 1 2 1 1 1 2 1 2 20 5 6 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 1 1 1 2 2 3 2 1 1 2 3 4 8 14 12 14 91 58 6 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; 1HNMR: 86 86 d 1H J 48 \| 78 78 m 2H \| 47 46 d 2H J 9 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nnc(CSC(=O)c2ccccc2)s1	ir: 6 6 4 2 4 3 2 2 2 3 7 13 35 8 5 2 2 1 1 2 2 2 1 6 13 5 9 9 7 23 75 32 7 4 7 12 6 8 10 24 10 32 4 5 3 0 4 8 4 1 2 2 1 0 1 2 1 0 1 2 19 32 1 2 2 5 14 6 7 7 7 4 2 2 2 2 1 2 6 4 2 1 2 4 5 1 2 3 2 1 2 2 2 2 16 27 1 1 2 2 1 1 2 2 7 17 19 19 54 27 11 5 11 9 14 9 1 19 4 28 13 10 16 24 13 6 4 2 2 2 68 15 17 43 16 6 11 28 37 100 46 13 11 16 8 13 9 2 2 7 3 1 1 3 2 1 1 2 2 1 2 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 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 0 1 2 2 1 5 4 3 3 3 5 7 11 12 9 3 4 9 51 61 9 40 33 100 20 6 4 7 4 2 1 3 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 m 2H \| 77 76 m 1H \| 76 75 m 2H \| 45 45 s 2H \| 29 29 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(Cl)c2cc(F)cnc2n(Cc2ccc(OC)cc2)c1=O	ir: 3 2 5 3 4 4 5 4 2 2 8 5 5 3 3 4 3 6 4 5 6 4 3 3 3 2 2 1 2 2 2 2 4 7 3 3 4 23 3 6 2 2 2 2 2 3 5 2 8 39 8 6 6 4 6 15 12 4 6 5 2 2 3 6 3 4 8 11 2 8 2 2 2 3 5 3 3 2 2 1 1 2 8 2 1 1 3 7 4 3 2 2 2 3 2 2 2 7 10 4 2 2 2 2 1 2 7 6 4 2 5 3 8 4 6 2 1 3 8 4 3 2 3 4 6 5 2 4 3 3 4 1 1 3 4 23 4 3 9 1 1 2 2 1 1 3 5 4 14 17 26 19 10 0 2 29 4 100 2 1 2 3 42 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 2 3 2 2 2 1 2 2 4 4 5 6 12 26 17 3 3 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 dd 1H J 16 141 \| 80 79 dd 1H J 18 121 \| 73 72 dt 2H J 9 85 \| 69 68 m 2H \| 55 54 d 2H J 9 \| 43 42 q 2H J 71 \| 38 38 s 2H \| 13 12 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(c2ccccc2)OC(CC(SCCc2cnccn2)c2ccsc2)=CC1=O	ir: 2 1 1 2 2 1 3 45 3 2 2 5 23 3 7 4 1 16 8 2 3 8 6 5 6 7 3 2 6 3 10 34 21 5 3 2 3 3 1 7 26 29 15 6 13 3 2 1 1 2 3 0 1 1 2 1 6 5 2 2 3 1 2 1 7 3 4 6 4 7 7 62 8 6 11 14 13 11 10 4 17 18 6 5 1 0 2 2 3 8 3 6 5 13 6 6 3 1 13 4 4 2 1 2 4 3 2 10 8 7 5 10 6 5 4 5 3 9 6 5 4 6 4 3 4 6 4 6 11 3 2 2 4 7 7 28 13 5 1 2 2 3 2 27 15 7 2 2 1 1 2 1 17 8 3 1 1 2 100 3 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 0 1 3 5 4 3 5 3 0 4 19 36 24 48 43 25 21 20 10 4 5 2 0 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; 1HNMR: 85 85 d 1H J 37 \| 84 84 q 1H J 9 \| 84 83 dd 1H J 13 37 \| 75 74 m 2H \| 74 73 m 4H \| 72 72 m 1H \| 71 70 m 1H \| 60 59 t 1H J 13 \| 41 41 m 1H \| 32 31 dt 1H J 65 154 \| 31 29 m 4H \| 28 27 ddd 1H J 13 46 152 \| 18 17 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCC(C1CCN(c2nc3cccnc3o2)C1)n1cc(-c2ncnc3[nH]ccc23)cn1	ir: 1 3 2 2 3 2 9 18 18 55 9 9 36 5 7 8 45 37 9 3 3 3 2 7 23 16 18 4 2 5 2 1 2 2 3 32 82 6 14 8 12 19 7 18 9 7 3 2 2 4 3 5 2 4 6 3 2 3 5 6 7 18 7 16 10 7 4 6 4 3 2 1 1 2 1 1 1 3 13 2 1 2 3 22 4 9 3 4 5 2 4 15 19 9 2 4 16 12 12 7 3 2 4 9 16 7 4 5 5 6 15 5 2 2 1 2 2 2 5 9 14 5 7 5 23 22 8 4 9 22 12 16 4 4 67 74 16 13 15 31 2 7 7 75 7 6 18 3 6 2 3 3 25 31 76 28 14 18 29 6 100 6 2 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 22 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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 2 3 5 3 4 3 3 4 1 4 7 26 10 4 7 10 18 14 16 16 6 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14 5 12 74 4 2 1 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 90 89 s 1H \| 85 85 dd 1H J 21 60 \| 82 82 s 1H \| 80 79 dd 1H J 21 89 \| 78 78 m 1H \| 75 74 m 2H \| 71 71 d 1H J 55 \| 46 45 m 1H \| 43 43 m 1H \| 39 38 m 1H \| 38 38 ddd 1H J 46 64 144 \| 37 36 ddd 1H J 47 65 142 \| 30 29 dd 1H J 31 115 \| 27 27 dd 1H J 30 114 \| 25 24 qt 1H J 33 49 \| 21 20 dddd 1H J 33 45 64 112 \| 19 18 dddd 1H J 34 47 66 115	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1c2c(cc3c1OCO3)NCCC2	ir: 99 19 9 4 3 5 10 14 1 1 1 1 1 2 2 1 1 4 3 1 1 1 2 1 4 4 3 6 2 4 2 1 4 1 2 3 8 2 2 1 1 4 2 1 1 2 1 1 1 2 4 5 6 3 1 0 1 1 1 1 1 2 7 5 1 79 49 48 39 25 24 2 1 1 1 1 1 0 1 1 1 1 4 3 0 1 1 1 0 1 5 3 2 3 22 9 1 1 0 1 7 5 3 1 7 3 1 2 37 6 3 3 3 2 1 1 1 1 2 11 13 12 28 4 4 2 6 4 2 5 7 2 1 1 1 1 1 1 1 3 4 67 31 4 2 2 3 0 3 10 9 3 54 68 3 2 1 0 1 1 2 1 1 66 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 2 2 1 1 1 1 2 3 5 6 2 2 1 1 1 1 2 16 9 82 66 7 5 4 2 1 1 2 2 1 1 1 1 1 1 1 1 3 6 7 9 8 5 26 57 100 40 7 5 7 4 2 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 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 66 65 d 1H J 9 \| 64 63 s 1H \| 59 59 s 2H \| 44 44 t 1H J 38 \| 34 33 m 2H \| 29 28 tdd 2H J 8 26 65 \| 20 19 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1	ir: 5 3 0 3 5 2 2 5 5 6 2 7 14 10 15 12 19 11 12 9 7 5 3 9 5 5 4 8 6 15 11 8 25 15 35 50 22 26 18 24 39 22 33 15 22 12 12 6 14 5 7 7 6 7 4 7 5 3 4 11 8 7 8 16 9 9 8 10 10 7 4 7 5 2 5 11 5 10 14 8 4 2 4 3 1 2 3 3 2 8 5 4 2 3 4 5 3 4 12 6 7 11 6 3 3 6 7 10 6 19 21 11 5 10 16 33 34 30 23 10 6 11 17 20 3 7 7 5 3 3 4 3 2 3 8 4 7 3 5 3 5 24 48 26 10 7 13 12 10 7 4 3 5 6 6 4 8 100 60 6 4 6 6 2 3 4 2 0 2 4 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 2 3 7 5 3 3 5 5 1 7 6 3 8 13 28 13 4 3 4 2 1 4 4 2 1 3 3 3 2 5 7 18 42 26 14 6 7 14 11 16 34 15 12 24 66 87 12 7 4 2 2 2 2 3 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 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 77 77 d 1H J 86 \| 73 72 m 2H \| 73 72 m 1H \| 72 71 ddt 2H J 9 16 71 \| 68 68 s 2H \| 44 43 dt 1H J 62 88 \| 40 39 dt 1H J 26 50 \| 37 37 ddt 1H J 19 38 70 \| 31 30 m 2H \| 30 29 m 1H \| 28 27 ddt 1H J 8 61 145 \| 21 20 m 1H \| 19 18 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.
COC(=O)c1cnn2c(O)cc(C(F)(F)F)nc12	ir: 5 3 3 3 3 3 3 5 4 4 3 12 12 8 24 17 17 30 24 12 5 3 7 4 4 3 3 4 8 10 5 4 11 11 9 3 4 4 4 4 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 3 5 5 3 8 7 12 19 38 18 15 9 8 4 4 3 2 4 5 3 2 4 6 24 15 4 4 4 3 3 3 6 32 10 5 2 5 4 3 2 3 4 3 3 6 11 3 3 4 6 6 4 4 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 4 4 3 3 3 2 3 5 6 3 2 5 5 0 1 73 100 7 4 6 3 6 33 46 4 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 8 7 4 5 3 2 5 50 56 40 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 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 83 83 s 1H \| 68 68 q 1H J 13 \| 39 39 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)N	ir: 0 1 2 3 1 1 3 4 3 10 7 8 2 7 4 2 3 1 2 2 1 2 1 2 2 2 2 2 2 2 2 2 1 1 1 2 7 5 2 1 1 1 1 0 1 3 2 3 1 1 0 2 2 2 9 21 13 1 1 0 1 1 1 1 2 2 5 3 15 1 7 29 7 4 1 3 5 16 5 6 6 5 5 1 33 3 2 2 3 1 3 8 40 4 2 3 2 2 1 2 2 1 3 1 2 8 4 4 3 3 2 3 5 4 2 2 1 2 3 2 5 5 7 8 5 3 2 3 2 5 3 10 36 29 9 11 6 2 2 2 0 2 2 4 15 10 4 7 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 2 2 2 3 4 4 2 2 4 7 1 1 1 1 2 1 2 15 38 2 3 4 5 5 5 2 7 5 9 3 4 9 24 88 100 11 29 9 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 1 0 1 1 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 63 63 d 1H J 81 \| 51 51 d 2H J 55 \| 41 39 m 3H \| 37 36 m 1H \| 37 37 s 3H \| 27 26 m 1H \| 25 24 m 1H \| 18 16 m 2H \| 15 14 d 3H J 51 \| 14 13 ddd 1H J 69 82 134 \| 10 9 m 3H \| 10 9 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C2(C#N)CCOCC2)cc1	ir: 0 10 18 9 1 10 18 9 3 12 18 13 8 17 26 22 8 15 16 7 5 16 18 10 8 13 15 8 13 15 32 11 10 23 27 11 22 23 14 4 13 18 23 17 13 17 12 3 9 17 11 9 42 54 65 37 28 32 21 14 23 26 25 14 31 23 11 3 15 24 34 9 14 23 29 23 21 19 7 3 13 14 5 4 15 19 12 9 16 15 5 9 19 17 7 9 17 12 3 8 17 14 4 10 17 11 8 10 18 13 3 13 28 33 36 23 18 14 3 15 18 10 9 15 19 13 11 19 25 18 23 24 40 43 14 14 16 8 6 13 14 6 5 13 13 7 7 16 27 100 97 26 25 27 25 29 14 5 8 15 11 3 10 19 10 3 8 16 10 2 9 16 9 3 10 15 9 5 8 27 16 4 10 14 7 3 11 14 7 4 11 14 6 4 12 13 6 5 12 12 5 5 13 12 5 6 13 11 4 7 14 11 4 7 14 10 3 8 14 10 3 8 15 9 3 9 15 9 2 9 15 8 3 10 15 8 3 10 15 8 4 10 14 7 4 11 14 7 5 11 13 6 5 11 13 6 6 12 12 6 6 12 11 6 7 13 11 5 8 15 12 7 16 18 17 17 15 23 15 6 13 17 18 20 29 40 87 38 68 27 18 5 14 17 10 4 11 14 8 4 13 15 7 5 12 13 7 6 11 12 6 6 12 12 6 6 12 12 6 6 12 11 5 7 13 10 5 7 13 10 4 8 13 10 4 8 14 9 4 8 14 9 3 9 14 8 4 9 14 8 4 10 13 8 4 10 13 7 5 10 12 7 5 11 12 7 6 11 12 6 6 11 11 6 6 12 11 6 7 12 10 5 7 12 10 5 8 13 10 5 8 13 9 4 8 13 9 4 9 14; 1HNMR: 73 72 m 2H \| 69 68 m 2H \| 40 40 ddd 2H J 36 62 108 \| 39 39 ddd 2H J 36 63 108 \| 38 38 s 2H \| 24 23 ddd 2H J 37 63 139 \| 21 20 ddd 2H J 37 63 139	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccn2ccnc2c1)c1ccc(Br)s1	ir: 5 14 20 21 4 2 3 4 5 6 3 3 2 3 4 2 15 8 2 1 1 1 1 1 1 2 18 15 15 18 3 1 1 1 0 0 1 1 2 3 2 2 2 1 7 8 11 3 26 16 25 12 2 2 2 1 2 7 4 4 2 5 9 6 4 3 5 2 3 1 2 7 1 1 1 1 1 5 1 1 3 1 4 5 48 3 0 2 5 4 9 6 3 4 21 4 2 5 21 15 5 1 0 1 7 5 1 1 4 3 1 1 5 6 33 1 2 7 14 26 23 8 11 7 4 2 1 1 2 2 1 4 6 3 2 2 2 0 0 2 3 1 2 22 25 32 9 11 5 2 33 5 5 8 7 1 1 1 1 1 1 10 1 1 1 0 0 1 0 0 0 1 4 1 3 5 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 1 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 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 2 2 4 3 1 13 24 70 36 42 100 20 9 5 5 8 5 1 1 1 1 0 0 1 1 1 0 1 2 4 3 4 6 6 7 20 9 6 5 1 2 2 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1; 1HNMR: 89 89 d 1H J 77 \| 84 83 t 1H J 49 \| 79 78 d 1H J 42 \| 78 77 d 1H J 42 \| 76 75 d 1H J 70 \| 73 73 q 1H J 14 \| 72 71 d 1H J 70 \| 69 69 m 1H \| 44 44 dt 2H J 11 48	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](n1ccn(-c2ccc(-n3cnnn3)cc2)c1=O)[C@](O)(Cn1cncn1)c1ccccc1F	ir: 6 6 2 4 10 5 3 12 7 12 5 6 7 2 2 5 4 2 5 5 6 1 2 6 4 1 2 6 11 13 2 7 15 35 9 7 11 18 13 9 8 3 37 26 5 4 3 5 3 2 2 4 3 3 15 21 25 2 3 4 4 6 5 3 3 0 5 5 4 6 5 4 4 6 16 7 4 5 11 8 7 10 10 7 2 3 5 3 4 3 13 7 4 7 8 20 24 10 18 5 3 3 8 7 3 3 6 6 10 4 4 3 2 6 12 6 5 3 5 5 5 7 8 14 7 7 7 4 3 7 9 8 3 6 4 4 4 9 8 4 3 6 5 7 6 23 34 20 10 43 10 11 7 5 4 2 3 4 4 1 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 3 1 1 3 3 1 2 3 2 2 4 5 4 1 3 4 3 2 4 10 7 2 16 18 21 17 31 100 79 54 41 16 4 4 40 26 4 4 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 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 2 3 2 1 2 3 2 1; 1HNMR: 93 93 s 1H \| 82 81 dt 1H J 8 17 \| 78 78 d 1H J 16 \| 76 76 m 4H \| 76 75 d 1H J 60 \| 74 73 m 2H \| 72 71 m 1H \| 71 70 ddd 1H J 14 70 102 \| 69 69 dd 1H J 17 61 \| 50 49 m 2H \| 50 49 s 1H \| 48 47 m 1H \| 13 13 d 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Nc2nccs2)cc1OCc1nccs1	ir: 3 2 1 3 12 4 5 7 4 2 5 6 14 9 2 2 2 1 1 1 2 2 1 2 5 5 5 5 5 2 1 3 2 3 5 69 7 7 8 15 57 20 5 8 11 10 5 7 4 4 19 17 8 57 30 5 3 3 5 3 3 5 4 7 4 9 22 10 17 27 13 8 9 2 8 12 2 1 3 2 1 1 4 12 12 29 7 15 27 8 12 7 4 9 33 5 24 29 35 59 39 35 29 11 3 5 26 5 54 8 6 2 2 2 6 6 5 10 6 2 2 7 8 2 6 5 4 7 10 24 50 24 4 3 2 1 0 2 2 1 1 3 6 6 3 4 12 3 2 4 33 9 6 4 23 17 1 3 2 1 1 3 3 14 6 2 1 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 2 1 1 2 1 1 1 2 3 5 7 4 3 3 5 8 8 6 3 7 3 1 3 6 19 16 100 96 32 31 25 9 4 4 3 4 2 1 3 4 2 1 2 2 1 2 2 2 2 2 5 21 37 23 5 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 94 94 s 1H \| 77 77 d 1H J 46 \| 72 72 m 2H \| 71 71 dq 1H J 11 78 \| 70 69 dd 1H J 21 78 \| 68 68 d 1H J 21 \| 67 67 d 1H J 46 \| 55 55 s 2H \| 22 22 d 3H J 11	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCC(=O)c2c(OC)cc(OC)c(CC=C(C)C)c2O)cc1	ir: 1 2 2 2 3 7 1 3 2 2 9 3 3 4 6 4 4 4 4 11 9 4 5 6 6 11 17 26 41 11 22 32 16 5 8 2 5 3 7 4 9 7 5 18 9 5 12 13 7 5 17 4 8 7 35 25 8 16 7 1 6 8 8 8 4 19 26 10 7 18 3 5 5 6 7 4 4 3 2 1 2 2 0 0 2 18 3 5 4 6 4 5 5 6 41 18 15 33 26 9 3 3 3 9 15 7 5 4 2 4 2 6 9 13 10 7 5 6 4 3 4 3 1 5 3 3 2 7 4 2 5 3 2 2 10 7 13 12 2 1 2 0 1 3 3 1 3 8 27 8 5 3 10 4 26 2 2 1 2 3 6 4 74 3 2 2 1 0 1 1 1 0 1 1 0 0 1 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 2 2 2 4 5 4 1 2 3 2 2 3 5 9 21 19 28 100 32 9 30 32 48 11 3 2 2 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 71 71 dt 2H J 9 85 \| 68 67 m 2H \| 60 60 s 1H \| 52 51 ddp 1H J 16 51 85 \| 39 39 d 5H J 82 \| 38 38 s 3H \| 34 33 dp 2H J 9 68 \| 33 32 t 2H J 81 \| 30 29 tt 2H J 7 83 \| 17 17 p 7H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC[C@H](C)Oc1nc(N)c2[nH]c(=O)n(CCC3CCCNC3)c2n1	ir: 3 2 4 1 2 2 8 1 1 1 1 1 1 2 3 2 2 3 2 1 2 1 1 1 1 1 1 3 3 5 1 1 2 1 1 3 1 2 2 8 4 6 1 3 2 1 1 1 1 2 2 3 5 7 21 5 8 4 3 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 1 2 1 0 0 1 1 0 1 1 0 0 0 1 1 0 1 1 0 1 1 2 1 0 1 4 1 1 2 4 3 1 4 3 3 2 2 5 1 2 7 1 1 1 1 2 4 3 4 1 5 14 3 2 1 1 1 1 0 0 0 1 1 1 3 5 0 0 3 12 16 100 2 0 1 1 0 1 2 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 1 0 1 1 1 0 1 1 1 1 1 1 1 2 3 2 1 1 1 1 1 1 1 0 1 0 1 1 1 0 1 1 1 1 1 2 4 17 2 1 1 2 4 1 1 2 2 5 75 2 1 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 92 s 1H \| 66 66 s 2H \| 46 45 h 1H J 65 \| 42 41 dt 1H J 90 147 \| 41 40 m 1H \| 30 29 ddd 1H J 41 49 125 \| 28 26 m 3H \| 25 24 tt 1H J 40 47 \| 20 19 dtd 1H J 66 90 132 \| 19 18 m 1H \| 18 13 m 13H \| 9 9 t 3H J 71	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)N1CC[C@H](OS(C)(=O)=O)C1	ir: 24 28 19 10 26 55 76 28 29 21 20 19 24 13 12 9 6 14 14 11 17 25 29 12 12 14 15 9 7 14 11 11 18 26 16 18 8 11 10 6 7 11 9 7 18 17 23 22 29 14 30 21 12 16 12 10 15 14 50 0 10 15 10 6 9 11 12 10 11 14 51 91 100 34 30 60 46 30 14 10 11 16 7 7 10 11 25 70 98 99 20 16 18 14 9 10 15 30 31 69 85 79 93 46 67 42 23 24 19 13 9 13 17 12 11 18 26 26 22 27 48 42 20 32 20 20 17 23 16 12 5 13 13 8 9 64 34 12 7 13 13 5 6 13 16 15 92 38 68 12 7 9 8 5 6 10 8 4 7 11 8 4 7 10 7 3 6 11 8 3 7 11 7 3 7 11 6 3 7 11 6 4 8 11 6 4 8 10 5 4 8 10 5 4 8 9 5 4 9 9 4 5 9 9 4 5 9 8 4 5 10 8 4 6 10 8 3 6 10 7 3 6 11 7 3 7 11 7 3 7 11 7 3 7 10 6 3 7 10 6 4 8 10 6 4 8 10 6 4 8 9 5 5 9 9 5 5 9 9 5 5 10 10 6 7 11 10 6 9 34 21 24 14 15 19 14 16 16 16 11 19 20 37 63 62 61 36 8 20 16 10 5 11 16 10 5 9 11 7 4 8 10 7 4 10 10 6 5 8 9 5 5 8 9 5 5 9 8 5 5 9 8 4 5 9 8 4 6 9 7 4 6 10 7 4 6 10 7 3 6 10 7 3 7 10 6 3 7 10 6 4 7 9 6 4 7 9 6 4 8 9 6 5 8 9 5 5 8 8 5 5 8 8 5 5 8 8 5 5 9 8 5 6 9 7 4 6 9 7 4 6 9 7 4 6 9 7 4 7 10; 1HNMR: 54 53 dddt 1H J 20 33 42 51 \| 39 38 m 1H \| 37 35 m 2H \| 35 34 ddd 1H J 57 75 119 \| 29 29 s 2H \| 23 23 s 1H \| 23 22 m 1H \| 23 23 s 1H \| 23 23 s 0H \| 21 20 m 1H \| 11 11 t 3H J 80	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(CCO)CCn1c(Cc2cc3c(cc2I)OCO3)nc2c(N)nc(F)nc21	ir: 2 3 4 2 4 1 1 2 2 1 2 2 1 5 3 3 3 2 1 2 5 2 2 5 1 1 1 2 2 2 2 2 1 1 0 1 2 0 1 2 1 0 1 6 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 3 5 7 4 14 6 2 0 0 2 1 3 2 1 1 1 1 1 0 1 2 5 4 10 11 17 3 12 3 7 2 2 3 2 2 1 1 1 1 1 1 0 1 2 3 4 4 1 3 3 3 1 1 3 3 5 5 6 3 9 5 6 10 2 1 2 3 8 5 5 2 1 1 0 2 7 2 1 2 2 1 2 1 1 1 1 1 2 4 2 1 0 0 0 0 0 1 1 15 1 0 1 9 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 2 3 5 5 13 3 2 2 8 4 5 10 17 23 7 8 12 3 3 1 3 3 3 6 4 2 3 1 3 2 4 4 2 1 1 1 3 9 100 7 1 0 1 1 0 0 1 1 1 1 2 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 s 1H \| 71 70 s 2H \| 70 70 t 1H J 9 \| 60 59 s 2H \| 44 43 t 2H J 51 \| 42 41 d 2H J 7 \| 37 36 dt 2H J 52 60 \| 33 32 t 1H J 60 \| 30 30 t 2H J 51 \| 29 28 hept 1H J 66 \| 27 27 t 2H J 52 \| 11 11 d 6H J 66	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(NC(=O)OCc1ccccc1)C(N)=S	ir: 10 4 4 3 5 4 2 2 3 5 2 2 2 2 1 2 2 2 2 3 3 6 6 6 7 4 13 4 7 12 17 6 20 100 9 14 5 5 3 7 43 3 2 2 2 1 1 3 2 0 1 3 1 0 1 3 2 1 1 3 1 0 2 4 2 2 3 7 4 1 6 3 1 1 2 2 1 1 2 2 1 1 2 3 1 2 7 5 1 16 3 2 1 1 2 2 1 3 7 2 1 1 2 2 1 2 3 2 0 1 2 3 6 2 3 1 1 3 4 3 4 3 13 2 1 2 3 1 1 3 3 1 0 2 4 15 1 2 3 1 1 5 10 29 49 4 3 3 3 21 3 3 2 3 3 4 7 21 30 17 2 5 4 3 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 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 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 0 1 2 2 1 1 3 2 0 1 2 2 0 1 2 2 1 2 11 6 5 4 21 7 2 2 2 1 2 3 2 1 1 2 2 2 0 3 3 1 5 55 4 3 4 9 11 54 7 3 3 2 13 32 19 20 4 3 3 3 2 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 83 83 s 2H \| 74 73 m 5H \| 73 73 m 1H \| 63 63 s 1H \| 50 50 s 2H \| 19 18 s 5H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCCN(C(=O)c2ccc(-c3ccc(C=C4SC(=O)NC4=O)o3)cc2)CC1	ir: 2 1 1 3 2 2 2 1 2 1 2 3 1 3 4 2 2 3 2 1 3 4 3 2 1 0 1 1 2 2 3 2 3 5 6 5 6 7 7 3 7 5 5 5 5 4 9 4 13 19 100 39 15 14 11 11 19 10 4 3 2 2 2 1 2 2 4 4 5 8 2 0 2 3 2 1 1 1 1 4 7 3 2 2 1 1 1 1 1 2 2 5 3 2 2 2 2 2 4 6 2 2 3 3 11 3 8 2 3 1 0 1 2 5 3 2 2 4 5 6 9 5 3 4 3 3 4 15 5 4 3 2 14 3 3 2 7 5 1 1 1 1 2 2 11 11 12 11 11 2 4 5 1 1 8 5 3 0 24 69 5 8 2 0 2 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 3 5 2 13 43 14 9 14 8 3 1 1 1 1 0 1 1 0 1 1 0 1 0 1 1 2 2 2 4 26 6 1 1 0 0 0 0 1 1 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; 1HNMR: 96 95 s 1H \| 80 80 m 2H \| 79 78 m 2H \| 75 75 d 1H J 55 \| 74 74 s 1H \| 71 71 d 1H J 55 \| 37 37 t 2H J 65 \| 36 36 t 2H J 66 \| 28 28 t 2H J 65 \| 26 25 t 2H J 68 \| 23 23 s 2H \| 20 19 p 2H J 67	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1(c2ccncc2)CCCCC1	ir: 3 4 1 1 2 1 0 1 2 1 3 1 8 9 4 9 9 6 4 2 2 2 2 6 9 2 4 6 11 6 8 2 7 14 5 1 1 1 1 2 2 2 4 4 8 4 2 2 3 1 1 1 1 2 11 5 2 1 1 2 4 5 2 1 9 13 8 6 6 9 31 100 68 20 5 7 5 3 1 3 2 1 3 1 2 1 2 3 1 1 2 2 1 1 2 2 2 1 2 2 1 2 1 1 1 2 4 3 3 6 20 98 15 24 41 7 17 11 10 6 11 3 5 5 11 12 9 11 7 9 10 3 6 5 6 2 3 3 2 1 1 2 2 1 1 4 18 12 13 24 30 5 2 2 2 1 2 2 4 3 6 94 20 6 1 2 1 1 1 2 1 2 1 2 1 0 1 3 1 20 30 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 1 3 3 3 6 11 6 2 5 4 4 2 5 8 23 7 29 37 26 19 8 5 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 m 2H \| 74 74 m 2H \| 23 22 m 2H \| 21 20 m 2H \| 17 16 dddd 2H J 36 62 81 158 \| 16 15 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(OS(=O)(=O)C(F)(F)F)=CC[C@@H]32)C1	ir: 2 4 2 3 0 5 1 5 22 100 19 9 6 1 1 1 1 2 7 5 5 4 3 5 3 3 1 1 2 16 5 2 1 1 1 0 1 1 2 4 1 1 1 0 1 1 2 6 7 12 11 1 1 2 1 1 2 1 1 4 7 5 13 4 2 2 13 10 8 17 20 13 8 4 2 7 1 1 1 1 2 1 3 2 24 51 93 7 1 2 2 4 2 1 1 1 2 4 7 2 14 16 4 5 3 1 4 13 4 7 4 7 4 3 3 2 2 4 7 7 5 8 15 15 3 9 6 4 2 5 2 3 5 6 2 3 2 1 1 1 1 1 2 4 37 4 1 1 0 0 1 0 0 1 1 3 3 9 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 1 1 1 0 2 2 2 1 3 5 5 5 4 2 1 4 4 3 12 29 17 15 11 5 2 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 56 56 td 1H J 12 63 \| 54 53 tdt 1H J 8 18 48 \| 46 46 tt 1H J 37 61 \| 24 23 m 2H \| 22 22 m 1H \| 21 19 m 2H \| 20 20 s 3H \| 19 18 m 3H \| 17 14 m 7H \| 12 11 ddd 1H J 64 93 124 \| 11 10 ddd 1H J 39 71 111 \| 11 11 s 3H \| 10 10 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(cc(C)n2C)c1F	ir: 2 2 2 2 3 3 2 3 2 2 2 4 8 9 4 2 3 2 4 2 3 2 3 2 2 2 2 3 5 2 4 3 2 2 3 3 2 3 8 9 3 2 2 2 3 6 8 7 8 3 2 0 8 47 42 8 4 2 3 10 4 2 2 8 4 4 5 4 5 4 5 6 4 4 2 3 6 3 2 2 2 8 3 2 1 1 2 2 2 2 3 2 2 2 2 2 1 2 2 2 5 3 3 3 23 4 4 3 3 17 6 4 1 2 3 4 4 4 9 11 4 3 3 6 7 13 8 6 1 8 3 1 1 2 2 2 1 6 2 1 1 2 5 3 1 2 13 5 2 1 2 2 2 3 25 3 2 2 2 2 2 13 2 2 2 2 2 1 1 2 1 1 2 2 2 1 2 2 1 2 1 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 1 2 1 1 1 2 2 1 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 4 3 2 2 2 2 2 2 2 5 4 3 4 4 8 5 6 12 100 16 40 8 4 2 2 2 3 2 2 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1; 1HNMR: 71 71 d 1H J 90 \| 69 69 dd 1H J 48 90 \| 66 66 dd 1H J 8 44 \| 39 39 s 3H \| 37 37 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.
Cc1ccccc1NC(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)cc1	ir: 3 1 3 2 7 6 10 5 7 4 4 7 9 4 4 2 1 5 3 3 6 3 4 2 3 7 3 2 2 3 3 6 14 5 4 14 8 3 2 3 9 14 28 43 18 13 6 6 9 4 2 0 1 2 5 5 24 18 36 48 6 0 4 7 21 3 3 2 4 5 3 7 4 1 1 3 2 3 3 2 2 2 1 3 4 18 13 13 5 2 4 2 5 2 4 5 2 3 4 13 34 13 11 3 33 4 1 2 1 1 1 1 1 2 2 3 0 21 1 3 2 5 17 5 3 2 3 3 13 11 1 1 2 1 1 1 2 2 4 6 17 1 1 3 2 3 15 9 8 2 11 18 12 76 5 7 6 1 2 4 4 1 1 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 4 4 15 52 22 10 4 4 4 2 2 2 1 1 1 2 2 2 2 2 1 1 2 2 2 5 10 25 10 22 100 44 14 3 0 0 2 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 s 1H \| 81 81 t 1H J 22 \| 80 79 s 1H \| 79 78 ddd 1H J 13 22 86 \| 77 76 dd 3H J 14 80 \| 76 76 dd 1H J 76 85 \| 75 74 m 3H \| 74 74 dd 1H J 10 84 \| 74 73 m 2H \| 73 73 ddd 1H J 11 70 79 \| 72 72 m 2H \| 72 71 m 2H \| 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.
O=C1OCc2ccc(C=NO)cc21	ir: 3 5 12 44 36 16 6 1 3 2 17 59 28 13 3 2 1 2 2 3 3 8 2 2 1 1 0 1 1 1 0 1 6 1 1 1 1 0 2 2 1 0 1 3 1 0 1 1 1 0 1 2 2 2 6 1 1 1 1 2 2 0 1 1 1 0 4 16 9 7 2 1 1 0 2 100 5 1 2 2 0 1 1 1 2 3 1 1 1 1 2 2 1 1 1 1 62 2 3 99 2 1 1 1 2 1 1 1 1 1 6 12 2 2 2 2 3 43 6 1 2 10 2 3 1 1 2 0 7 1 0 1 1 1 1 2 34 3 2 0 1 1 1 1 21 24 2 1 0 1 9 18 9 2 1 0 9 3 1 0 0 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 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 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 1 1 0 1 1 1 0 1 3 2 3 12 39 6 5 1 2 1 2 1 8 4 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 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; 1HNMR: 92 91 s 1H \| 83 83 s 1H \| 80 80 d 1H J 21 \| 76 76 dt 1H J 9 82 \| 75 74 dd 1H J 22 81 \| 54 53 d 2H J 10	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N1CCOCC1)C1(c2ccccc2)CCNCC1	ir: 2 2 0 1 2 1 0 2 3 2 3 4 5 4 7 3 3 4 7 8 8 8 3 1 3 2 1 1 2 5 7 8 11 5 14 9 19 4 7 24 31 27 7 2 20 13 7 11 5 3 11 4 9 9 5 8 5 7 7 7 2 10 3 2 7 8 3 8 6 8 5 4 6 45 2 3 2 1 1 2 2 2 2 1 2 1 3 1 4 3 1 4 3 4 3 3 3 2 1 4 1 3 1 1 2 1 2 2 3 10 16 36 30 29 19 9 42 18 11 13 9 7 5 3 3 7 13 12 20 8 15 4 6 9 9 30 9 9 7 2 2 1 4 7 12 13 5 19 4 3 3 3 2 5 4 1 1 1 0 1 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 2 1 2 4 2 3 3 3 2 2 3 5 2 12 18 17 42 29 13 6 3 2 1 1 2 1 1 1 1 2 1 2 3 1 2 23 100 19 5 1 0 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 tt 2H J 15 66 \| 73 72 m 3H \| 47 46 p 1H J 36 \| 37 37 dd 4H J 40 52 \| 36 35 m 4H \| 31 30 ddt 2H J 35 59 139 \| 29 28 ddt 2H J 35 60 139 \| 25 25 ddd 2H J 32 60 141 \| 23 22 ddd 2H J 32 59 141	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(CC=O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1	ir: 7 4 7 5 7 5 4 5 4 2 2 4 2 4 4 9 6 4 3 2 2 2 3 2 2 1 2 3 1 1 1 2 2 2 6 8 3 3 5 5 23 14 4 7 10 6 12 31 17 15 9 9 11 2 16 25 14 17 13 4 4 2 4 2 5 3 13 8 13 10 4 2 4 8 8 3 4 8 5 3 16 17 4 2 1 2 3 2 10 10 11 22 12 8 5 8 4 2 44 98 18 14 10 5 10 8 14 26 14 21 2 6 2 7 5 5 4 5 12 12 8 21 5 5 8 6 8 10 13 11 2 2 4 1 1 3 2 3 4 18 20 6 4 13 12 3 5 29 12 20 33 30 11 6 7 4 2 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 2 1 0 2 2 3 3 8 3 3 2 2 3 3 3 8 8 4 3 5 12 31 2 42 100 98 14 7 3 4 4 1 0 2 2 1 0 1 2 1 0 1 2 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 98 97 t 1H J 63 \| 80 79 dq 1H J 13 25 \| 78 78 dd 1H J 22 77 \| 76 75 dd 1H J 12 98 \| 75 74 dd 1H J 79 97 \| 73 72 m 2H \| 47 46 hept 1H J 56 \| 38 37 dd 2H J 8 63 \| 29 28 q 2H J 76 \| 14 13 d 6H J 57 \| 13 12 t 3H J 76	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1ccccn1Cc1ccc(CN2Cc3nc(Cl)nc(Br)c3C2)cc1	ir: 1 2 1 2 1 5 3 3 3 4 8 4 2 4 3 2 1 2 2 1 2 3 3 4 2 2 4 2 1 2 2 1 1 9 22 15 33 9 3 3 2 3 2 3 75 14 5 3 8 2 4 4 3 5 2 0 5 23 12 3 8 3 3 2 3 1 2 1 3 18 4 2 8 2 1 1 2 6 10 3 11 4 7 3 5 2 3 9 5 2 3 3 7 2 7 13 5 3 2 2 6 19 4 2 2 2 4 7 6 3 1 1 1 1 1 1 2 5 5 12 8 3 3 2 3 3 6 6 3 5 5 3 1 2 2 1 1 2 3 2 38 7 61 8 5 8 38 100 25 2 1 4 7 4 2 7 4 1 1 2 16 20 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 2 1 3 2 1 1 2 2 2 2 3 9 11 29 16 16 32 5 6 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 dq 1H J 11 74 \| 73 72 m 3H \| 72 72 dt 2H J 9 84 \| 67 67 td 1H J 7 74 \| 65 65 dd 1H J 8 93 \| 50 50 q 2H J 9 \| 43 43 s 2H \| 40 40 s 2H \| 38 38 t 2H J 8	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(C(N)=O)c(Nc3cncc(F)c3)n2)CC1	ir: 1 3 4 5 2 6 5 6 10 4 20 24 5 4 8 7 5 3 4 2 3 4 11 11 6 3 3 2 3 4 3 2 5 15 3 3 4 5 6 0 2 5 6 0 8 37 100 53 10 4 3 3 4 4 3 2 3 2 3 2 3 8 3 1 3 6 8 12 4 3 2 1 2 3 2 2 3 4 2 4 9 3 2 2 2 3 1 2 3 3 1 2 3 2 1 1 2 3 1 2 3 8 2 2 3 2 1 2 6 10 3 3 2 5 19 9 6 25 6 11 9 4 3 3 3 3 2 21 5 7 4 6 4 2 4 3 3 3 2 3 2 2 2 3 3 5 8 9 8 5 11 30 4 36 8 3 4 43 27 9 28 3 16 22 7 2 3 3 2 1 2 2 2 1 2 2 2 1 2 4 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 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 2 2 3 4 5 4 3 2 3 3 3 3 6 9 4 3 4 5 3 5 2 3 3 2 1 2 2 2 2 2 2 2 4 5 49 5 3 8 4 17 54 9 13 3 2 5 16 55 12 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 100 99 s 1H \| 84 84 t 1H J 16 \| 82 81 dt 1H J 16 141 \| 80 80 s 1H \| 78 77 s 2H \| 72 71 dt 1H J 16 121 \| 38 37 ddd 2H J 27 54 119 \| 36 35 ddd 2H J 26 53 119 \| 28 27 s 2H \| 24 23 ddd 2H J 26 53 135 \| 22 21 ddd 2H J 27 54 135 \| 15 14 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1nnc(C2CCCCC2)c2ccccc12	ir: 0 3 5 2 0 3 4 2 0 3 4 2 0 3 4 2 1 3 4 3 6 14 58 26 4 6 12 17 5 12 9 3 1 5 4 2 2 7 4 2 2 5 6 50 24 7 3 1 2 5 3 3 3 6 3 0 3 5 3 1 2 5 2 0 3 5 4 1 6 8 3 1 3 8 7 3 3 4 2 2 4 4 1 1 4 4 2 4 3 3 1 2 4 3 2 3 4 3 1 2 7 4 1 2 6 4 3 3 5 4 2 8 13 16 13 10 8 14 5 5 9 7 26 24 25 4 4 4 4 2 2 3 4 2 6 18 11 9 2 6 100 11 9 17 7 1 1 4 3 4 7 4 3 7 8 4 3 1 2 4 3 1 2 4 3 1 3 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 2 2 4 3 2 3 5 5 3 4 7 5 0 4 5 4 9 18 6 27 73 68 13 12 2 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 85 84 dd 1H J 14 89 \| 81 81 dd 1H J 13 85 \| 77 76 m 1H \| 76 76 ddd 1H J 13 77 89 \| 29 28 m 1H \| 21 20 m 2H \| 17 16 m 4H \| 16 14 m 4H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1c(N)ccc(Br)c1C	ir: 3 3 3 2 2 2 2 2 2 2 2 2 4 4 5 6 3 7 9 4 5 5 7 5 7 3 2 3 11 9 3 3 3 3 11 3 7 6 2 2 2 6 31 7 3 2 2 3 2 3 2 3 3 11 17 3 3 2 2 2 3 2 2 2 2 2 2 2 4 4 3 2 2 2 3 3 2 2 3 2 7 4 2 3 6 2 2 2 2 2 2 2 2 2 2 2 2 3 5 2 2 2 2 2 2 2 2 2 2 3 9 3 2 2 2 2 2 2 2 2 2 3 2 5 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 7 4 4 23 4 5 11 3 4 2 2 2 4 4 24 100 6 3 5 3 0 20 10 6 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 4 3 2 4 10 6 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 23 5 3 4 7 5 12 7 3 3 9 5 61 40 7 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 75 75 d 1H J 75 \| 71 71 s 2H \| 66 66 d 1H J 75 \| 64 64 q 1H J 51 \| 29 29 d 3H J 51 \| 24 24 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(C(=O)N[C@H](Cc2ccc(-c3cccc(Cl)c3)cc2)C[C@@H](O)C(=O)O)cc1O	ir: 0 2 2 1 2 3 1 2 2 2 4 3 5 16 4 4 12 5 7 10 9 25 44 12 10 5 9 4 8 4 12 6 5 9 5 5 5 3 4 1 3 8 2 3 3 3 8 38 5 4 2 3 1 1 1 2 9 3 1 1 1 1 1 0 1 1 2 3 4 3 1 5 1 2 8 5 9 5 100 18 7 5 2 6 61 7 5 11 1 1 1 3 3 2 2 4 9 12 17 11 2 1 1 1 2 1 1 2 3 2 3 4 2 2 1 2 5 4 6 4 9 2 9 3 5 5 3 2 4 29 2 1 2 3 4 0 20 1 2 14 3 1 1 10 3 8 54 27 16 1 1 3 6 4 3 2 1 1 2 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 1 0 1 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 3 1 1 3 2 3 2 2 5 4 4 11 71 12 11 12 47 24 16 7 47 24 26 15 2 1 1 1 1 5 2 2 1 1 2 5 8 13 14 11 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 s 1H \| 78 78 s 1H \| 76 75 t 1H J 21 \| 75 74 m 4H \| 74 73 m 2H \| 72 71 dq 2H J 9 80 \| 59 59 s 1H \| 53 52 d 1H J 59 \| 43 42 m 2H \| 37 36 s 2H \| 30 29 ddt 1H J 8 65 139 \| 28 27 ddt 1H J 9 66 139 \| 23 22 dt 1H J 79 145 \| 20 19 dt 1H J 78 145	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1c(Cl)cc(C)nc1C(=O)O	ir: 1 2 4 1 0 1 2 2 1 1 4 4 5 6 7 9 25 32 16 9 100 73 45 12 14 17 12 2 2 1 1 2 1 1 1 2 3 2 4 2 1 2 2 2 1 1 1 1 1 1 2 3 1 2 1 1 1 2 3 1 1 1 2 4 8 1 2 2 3 11 24 10 4 5 16 10 11 52 30 4 3 5 3 2 2 3 4 13 18 8 2 2 1 15 18 2 2 1 1 1 3 2 1 1 1 1 1 1 1 2 4 2 2 3 2 2 2 3 6 9 7 3 2 1 1 1 2 1 2 1 1 1 2 7 3 2 2 1 3 50 43 1 0 2 1 1 1 1 2 1 1 7 9 1 1 2 1 5 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 11 7 10 3 2 2 2 1 1 1 1 1 2 14 13 3 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 72 72 s 1H \| 43 43 q 2H J 62 \| 25 25 s 3H \| 15 14 t 3H J 62	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cc(Cl)ccc1OC[C@@H]1CO1	ir: 2 2 1 3 6 3 4 5 5 6 5 4 10 8 28 8 12 6 3 2 3 1 2 3 6 0 1 5 7 4 7 8 10 15 20 27 28 40 45 32 31 23 19 7 4 8 7 5 4 1 5 12 43 72 59 10 3 2 4 10 9 0 5 7 7 15 21 32 43 26 25 9 7 5 6 4 3 16 9 3 2 2 4 9 28 8 5 8 6 4 2 2 2 2 2 4 6 2 2 4 10 4 2 4 16 20 6 3 2 1 1 2 0 2 2 2 4 5 15 6 15 3 6 6 2 3 2 3 2 2 1 2 2 2 2 3 17 76 11 5 3 3 4 8 11 43 46 55 23 5 6 15 11 18 34 31 11 10 7 3 2 6 9 1 1 2 2 0 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 3 2 2 3 2 4 3 2 3 4 3 12 6 13 16 29 18 16 100 58 11 13 6 5 3 4 2 2 4 2 2 1 1 1 4 5 3 3 3 3 9 27 19 38 8 4 3 3 2 2 4 3 2 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 89 89 s 1H \| 76 76 d 1H J 21 \| 72 71 dd 1H J 21 87 \| 69 69 d 1H J 87 \| 43 42 dd 1H J 40 115 \| 40 40 dd 1H J 40 115 \| 34 33 qd 1H J 27 39 \| 31 30 dd 1H J 37 77 \| 27 27 dd 1H J 27 76 \| 22 22 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(CNCCc2ccc(Cl)c(C(F)(F)F)c2)cc1	ir: 6 4 5 2 1 2 4 5 6 3 3 2 0 2 3 4 3 3 3 5 5 4 4 1 1 2 3 2 1 4 8 14 5 7 3 7 15 12 30 11 7 11 7 9 14 10 8 8 6 4 7 9 14 30 44 9 32 8 7 5 8 5 4 8 4 5 5 5 11 28 11 7 5 3 3 1 2 1 1 1 1 1 1 3 1 1 1 2 1 1 2 3 4 4 5 12 14 10 34 100 13 5 2 2 3 12 8 3 4 8 9 17 6 13 35 31 10 12 6 10 17 16 10 7 4 6 6 5 11 8 6 7 6 5 5 5 15 4 3 3 10 18 2 2 1 2 1 1 9 7 12 3 4 7 6 4 2 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 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 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 2 1 1 2 4 3 1 1 2 2 1 2 5 5 4 23 20 26 85 30 11 6 2 2 2 2 2 1 2 2 2 1 2 2 2 13 25 18 30 27 7 3 2 1 1 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 74 74 m 2H \| 73 73 m 2H \| 72 71 dt 2H J 9 75 \| 71 70 ddt 1H J 9 20 75 \| 39 39 dt 2H J 9 53 \| 32 31 m 4H \| 28 28 tt 2H J 9 52 \| 14 13 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc(Br)c1Nc1cccc(N)c1	ir: 26 9 16 20 5 4 5 15 16 5 2 2 6 8 6 5 2 2 1 4 10 2 3 5 4 3 11 7 9 23 29 15 4 3 4 4 2 2 1 2 1 4 9 4 5 5 21 82 28 5 7 6 5 4 2 1 1 3 1 3 3 18 6 2 1 3 7 44 9 2 9 3 4 2 12 2 2 1 1 1 2 5 6 12 1 4 4 3 1 6 22 6 1 2 43 6 1 1 2 1 1 2 17 14 1 1 1 2 1 2 15 3 4 5 10 8 10 7 11 5 6 7 4 1 1 2 5 12 1 10 17 3 3 5 13 4 16 20 5 2 11 6 3 0 1 3 1 0 2 8 4 3 5 39 18 14 3 3 16 22 6 2 3 5 42 6 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 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 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 3 2 10 3 1 2 1 2 2 1 3 4 18 4 7 12 32 5 12 98 29 2 4 5 7 2 1 1 2 1 1 2 1 1 1 2 2 7 51 5 4 3 3 17 21 18 7 3 5 100 66 13 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 85 85 s 1H \| 74 74 s 1H \| 72 72 t 1H J 78 \| 65 64 ddd 1H J 12 22 77 \| 63 62 ddd 1H J 11 22 80 \| 59 59 t 1H J 21 \| 38 38 s 3H \| 37 37 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1OC(=O)[C@@H]2CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4cccnc4C#N)cn3)[C@H]12	ir: 6 7 16 12 28 6 3 3 4 3 1 4 4 2 7 5 6 7 0 9 6 3 4 9 10 9 33 14 5 3 7 10 15 7 14 22 31 21 8 13 12 4 6 43 13 21 4 7 3 1 4 4 4 31 29 14 5 4 4 12 18 59 86 49 15 15 14 4 6 19 10 14 9 11 11 18 21 5 28 29 10 8 8 9 9 8 6 10 7 18 7 8 10 6 7 9 8 10 10 10 17 16 16 21 7 13 15 7 5 4 14 7 1 31 46 20 51 30 22 43 34 14 10 13 14 11 13 72 35 12 7 9 8 5 11 13 30 19 30 41 20 6 6 12 87 22 10 2 14 21 17 10 10 13 30 100 14 6 2 2 4 8 4 4 13 9 2 2 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 4 1 1 2 3 1 0 2 3 1 1 2 3 1 1 2 3 0 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 2 0 2 3 1 1 2 3 1 1 2 3 2 1 3 2 1 1 3 2 1 1 4 5 2 2 6 5 6 4 9 6 7 6 12 14 24 13 20 86 46 48 38 98 34 8 11 3 2 5 4 1 1 3 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0; 1HNMR: 90 89 d 1H J 19 \| 87 86 dd 1H J 21 41 \| 82 82 dd 1H J 21 76 \| 80 80 dd 1H J 20 81 \| 76 75 m 2H \| 66 65 m 1H \| 62 61 ddt 1H J 18 120 158 \| 46 45 m 1H \| 30 28 m 2H \| 27 26 dtd 1H J 36 126 163 \| 26 25 ddddd 1H J 18 38 46 84 122 \| 25 23 dtd 1H J 62 126 165 \| 23 22 m 1H \| 13 12 d 3H J 53 \| 10 10 dt 3H J 37 86	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)CN(c1ccccc1)c1ccccc1)[C@@H]1CCN(C(=O)c2ccccc2)C1	ir: 4 2 8 3 2 5 2 3 3 2 0 1 2 3 2 6 3 2 4 3 4 1 1 3 1 2 12 5 10 4 24 21 13 5 19 13 12 4 3 7 43 100 86 12 4 3 2 2 3 3 2 3 1 1 1 2 2 2 2 2 4 0 1 4 2 3 7 16 20 15 3 1 3 4 2 3 6 4 5 9 6 12 5 3 2 1 1 1 1 1 1 2 2 1 4 3 2 2 1 2 1 1 3 1 2 1 2 2 0 3 6 12 3 9 9 8 2 3 3 5 5 9 2 2 3 3 2 2 1 6 9 21 12 12 9 14 4 4 7 5 5 3 9 49 56 33 27 22 33 4 7 7 12 9 4 1 1 1 1 1 10 3 6 4 2 2 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 1 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 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 4 5 20 19 32 29 52 33 26 6 5 2 2 2 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 75 74 m 5H \| 73 72 m 4H \| 71 70 m 6H \| 42 41 m 2H \| 40 39 ttt 1H J 16 31 61 \| 39 38 dd 1H J 31 106 \| 37 36 m 2H \| 36 35 dddd 1H J 18 49 65 116 \| 29 28 d 3H J 14 \| 22 21 m 1H \| 20 19 dtd 1H J 46 63 114	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Cc2ccccc2C(=CCCBr)c2ccccc21	ir: 1 1 0 1 2 1 1 2 2 4 1 1 2 1 0 1 1 3 6 2 3 3 9 7 3 1 2 2 2 3 8 3 1 0 0 1 1 0 6 3 5 5 8 22 16 5 2 1 3 2 1 1 1 1 2 5 2 1 1 2 2 2 2 2 1 3 4 2 1 2 2 2 0 0 1 5 5 2 1 0 0 1 1 0 1 1 5 3 2 4 3 1 1 1 1 0 0 0 1 2 1 1 0 1 2 4 2 1 6 6 1 1 1 1 5 4 2 3 2 1 5 11 10 13 5 3 5 3 2 1 1 1 0 1 1 3 3 13 35 21 5 7 2 1 2 1 1 12 15 4 6 25 2 1 1 2 3 1 1 1 4 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 2 5 2 3 2 1 2 3 3 7 13 15 27 100 15 4 1 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 0 0 0 0 0 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 dd 1H J 17 78 \| 77 77 dd 1H J 16 79 \| 76 75 m 2H \| 75 74 td 1H J 16 78 \| 74 73 m 1H \| 72 72 m 2H \| 65 64 tt 1H J 9 58 \| 45 45 d 2H J 7 \| 36 35 td 2H J 9 44 \| 30 30 dt 2H J 44 60	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(C(F)(F)F)cc1N	ir: 20 17 25 15 2 10 15 7 1 6 11 5 3 8 9 6 1 10 9 7 2 7 10 5 3 7 10 3 2 8 8 3 4 8 8 3 3 8 7 2 3 9 6 2 4 9 7 3 4 9 5 1 5 9 5 0 5 9 4 0 5 9 4 0 5 9 4 1 6 8 4 2 12 21 13 6 15 22 5 3 8 8 3 2 7 7 9 9 7 6 2 3 7 6 2 4 7 10 33 6 11 7 0 4 9 5 0 4 11 11 2 5 15 13 4 6 10 5 1 5 9 4 1 8 11 6 1 6 8 4 3 7 10 3 2 6 7 3 2 7 8 11 15 7 7 2 2 7 7 2 4 10 15 16 15 9 6 0 4 11 24 78 83 11 7 3 4 8 5 1 5 8 5 2 5 8 4 1 5 8 4 1 6 8 4 1 6 8 3 2 6 7 3 2 6 7 3 2 7 7 3 3 7 6 2 3 7 6 2 3 7 6 2 3 7 5 1 4 8 5 1 4 8 5 1 4 8 5 1 5 8 4 1 5 8 4 1 5 8 4 2 5 7 4 2 6 7 3 2 6 7 3 2 6 7 3 3 6 6 3 3 7 6 2 3 7 7 3 4 7 6 2 4 7 6 2 5 8 6 2 5 8 6 2 5 10 7 2 9 18 8 2 6 8 5 2 5 8 4 2 5 7 3 2 5 54 100 7 6 6 4 3 6 6 3 3 10 17 48 11 6 6 3 4 6 5 3 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 5 8 5 2 5 7 5 2 5 7 4 2 5 7 4 3 5 6 3 3 6 6 3 3 6 6 3 3 6 6 3 3 6 6 3 3 6 5 3 4 6 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7; 1HNMR: 54 54 q 1H J 14 \| 48 48 s 2H \| 38 38 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1COCCN1Cc1cc(C=O)ccc1Br	ir: 16 4 2 2 9 7 2 3 3 11 2 5 3 2 6 6 9 6 6 8 4 1 1 2 2 2 2 1 1 3 4 9 43 12 29 5 3 1 2 41 2 1 2 15 3 2 12 8 8 21 4 3 31 88 30 5 22 38 4 4 11 4 6 3 4 17 33 7 8 37 42 14 4 3 11 8 16 3 2 5 11 100 6 4 1 1 6 3 3 3 29 14 32 58 70 26 10 6 2 3 7 22 9 11 32 4 6 5 4 3 3 1 0 3 13 4 1 2 3 4 1 3 4 37 12 7 6 5 7 5 8 9 6 3 3 1 2 2 4 4 2 7 12 2 2 5 5 47 21 10 6 13 2 2 3 1 1 2 1 1 1 2 8 2 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 3 7 3 2 1 2 3 6 3 2 4 3 3 4 3 31 39 34 92 92 20 5 5 2 1 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 99 s 1H \| 78 78 dt 1H J 8 16 \| 78 77 dd 1H J 20 87 \| 76 76 d 1H J 87 \| 39 38 dd 1H J 8 140 \| 37 36 m 4H \| 35 34 dd 1H J 53 102 \| 30 29 ddd 1H J 32 56 125 \| 28 27 ddd 1H J 31 55 124 \| 26 25 qdd 1H J 26 53 77 \| 12 11 d 3H J 78	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(c1cccc(Cl)c1)c1ccc(CN2CCCC2)c(Cl)c1	ir: 1 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 0 1 0 1 1 1 1 2 1 1 1 1 2 3 1 0 0 0 1 1 1 1 12 2 1 2 1 1 3 3 2 9 24 15 6 1 1 1 6 5 4 4 8 8 9 2 2 1 4 7 7 5 2 3 7 4 4 3 1 2 2 2 2 6 4 2 1 2 4 4 2 1 2 1 1 1 1 0 0 1 1 2 2 1 1 1 2 1 2 2 2 3 2 1 1 1 1 2 2 2 2 3 10 5 7 5 2 4 15 4 7 2 2 1 1 2 3 1 1 0 0 0 0 0 0 3 6 1 2 3 2 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 0 0 1 2 2 3 8 31 8 3 2 0 1 1 1 1 1 1 1 3 3 5 5 1 4 5 6 2 4 22 100 5 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 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; 1HNMR: 74 74 m 3H \| 74 73 m 2H \| 73 72 d 2H J 14 \| 53 52 m 1H \| 37 37 s 2H \| 29 28 td 4H J 17 35 \| 22 22 d 2H J 58 \| 19 18 p 4H J 20	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNc1cc(-c2ccncc2)sc1C(N)=O	ir: 2 2 2 3 3 4 4 2 3 2 3 4 9 7 7 3 5 5 11 9 7 24 23 18 11 5 4 4 6 4 8 8 7 4 3 3 3 3 3 3 2 5 16 38 28 30 6 3 5 5 4 3 2 3 2 2 3 2 2 2 2 2 2 5 3 5 3 2 3 4 6 8 12 9 7 5 2 3 2 4 3 2 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 6 8 10 7 4 4 6 4 2 3 3 2 5 5 3 2 2 3 5 1 3 2 2 2 2 3 3 5 12 5 2 1 2 3 1 1 4 3 3 32 4 2 5 25 22 8 4 5 53 60 100 6 0 4 7 3 0 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 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 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 6 7 16 12 7 2 2 3 2 1 2 2 2 1 2 2 2 2 16 7 3 5 7 7 10 41 19 4 3 3 2 14 17 3 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 87 86 m 2H \| 76 75 m 2H \| 71 71 s 2H \| 68 68 s 1H \| 63 63 t 1H J 35 \| 35 34 qd 2H J 36 61 \| 13 13 t 3H J 61	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=O)(Cc1ccccc1C)OCC	ir: 7 3 4 4 9 9 15 9 1 3 4 3 9 17 11 12 59 8 3 2 0 1 3 1 0 1 1 2 0 2 4 2 2 5 6 7 3 13 17 10 21 54 16 7 4 13 8 8 16 14 6 6 4 1 1 2 2 2 4 9 6 1 1 1 2 13 21 17 13 11 14 9 13 15 31 13 20 16 16 21 93 100 10 21 9 1 1 3 2 6 7 16 2 7 10 4 2 2 2 1 2 3 1 1 1 1 1 1 1 1 3 2 7 9 14 19 5 9 4 5 5 2 1 1 1 1 1 2 9 7 14 2 2 2 2 2 3 15 5 1 3 3 13 12 9 6 1 1 5 4 1 1 1 0 1 1 0 0 1 2 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 2 2 1 4 3 4 8 7 5 1 2 6 6 22 45 15 45 18 25 6 4 2 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 ddt 1H J 8 18 81 \| 73 72 ddd 1H J 23 65 75 \| 72 71 m 2H \| 43 42 dq 4H J 72 84 \| 38 37 dd 2H J 10 119 \| 23 23 d 3H J 6 \| 14 13 td 6H J 7 73	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCC2=C(CCCC2=O)N1	ir: 1 3 4 2 1 2 3 3 2 5 6 4 3 7 5 8 8 4 4 8 4 3 4 2 1 3 3 1 3 4 7 3 12 5 6 11 25 51 8 7 4 3 4 9 5 11 4 4 5 7 4 3 3 4 3 2 3 4 3 6 5 4 2 1 4 5 4 2 5 5 4 2 3 3 2 2 3 4 3 3 3 3 2 2 3 3 2 2 3 3 5 4 5 8 3 11 12 4 2 2 3 3 2 2 3 3 2 4 4 3 3 7 6 4 2 13 6 6 9 10 12 4 4 5 6 3 4 5 6 3 2 4 5 9 3 3 4 4 4 4 3 3 2 2 3 3 2 2 2 3 3 2 2 4 6 59 100 4 0 7 4 0 2 5 3 1 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 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 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 6 6 5 4 3 3 4 3 12 10 9 3 1 2 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 4 4 3 5 8 14 18 32 10 4 3 5 5 3 3 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3; 1HNMR: 28 27 ddt 2H J 10 59 80 \| 27 26 m 2H \| 25 24 m 2H \| 23 22 ddq 2H J 9 68 77 \| 17 16 m 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C(=C/CC(C)(C)C)c1ccc(SC)cc1	ir: 3 8 11 7 23 4 9 2 7 17 9 8 7 14 16 5 9 4 2 1 2 2 4 5 7 6 17 7 5 4 18 3 3 2 3 14 11 2 2 1 1 2 2 2 2 1 3 5 5 8 10 5 5 5 49 78 12 8 6 20 7 11 10 5 3 1 19 4 30 28 2 1 3 3 18 7 3 2 1 1 1 2 1 4 4 2 6 1 3 2 0 1 46 40 15 23 6 5 31 26 8 4 2 1 2 2 1 2 1 5 4 6 5 11 6 12 11 10 16 31 12 17 24 25 16 19 11 7 9 8 11 8 6 5 5 3 3 3 3 2 3 3 8 9 37 36 63 40 28 15 6 6 5 3 1 2 2 2 1 2 2 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 3 3 3 3 2 5 6 3 3 3 5 5 11 8 64 22 100 89 16 14 13 10 12 3 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 m 2H \| 73 73 m 2H \| 68 68 t 1H J 61 \| 43 42 q 2H J 71 \| 25 25 s 3H \| 21 21 d 2H J 60 \| 13 13 t 3H J 70 \| 9 9 s 8H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(Cl)nc(C(C)=O)c1	ir: 6 2 4 2 2 7 12 9 0 4 3 2 2 4 6 4 9 52 71 18 8 25 7 3 2 2 2 1 1 3 3 3 3 4 2 1 2 2 2 0 1 2 2 0 2 3 3 5 2 3 1 2 1 2 2 0 2 3 2 3 3 46 4 5 9 21 27 18 40 21 4 4 3 3 1 1 2 3 2 2 9 5 1 1 2 3 1 2 4 2 1 1 2 2 0 1 2 3 1 3 4 2 1 1 3 2 0 2 4 29 12 4 5 5 2 6 21 20 9 5 5 3 4 17 27 20 12 6 6 5 2 3 3 2 3 64 100 3 1 2 2 1 2 3 12 17 4 2 8 2 1 2 1 0 1 3 2 0 1 2 2 2 40 4 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 4 4 1 1 2 2 1 1 3 3 2 2 4 4 3 10 12 31 60 24 21 5 1 3 4 2 1 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 88 88 d 1H J 22 \| 78 77 d 1H J 22 \| 39 39 s 3H \| 27 27 s 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCC1CCC(=O)CC1	ir: 7 6 4 6 9 7 8 10 8 8 7 11 12 9 7 6 7 5 5 6 8 5 4 12 24 10 6 6 6 5 5 7 6 4 5 7 6 6 5 7 6 6 11 7 7 7 6 9 8 5 7 7 9 5 9 8 7 14 11 7 5 4 5 7 5 5 6 6 5 4 6 6 5 4 6 7 5 4 6 6 4 4 6 6 4 4 6 12 7 5 7 8 6 6 7 6 6 11 8 6 5 6 7 7 8 11 16 14 22 16 12 29 9 11 10 22 16 11 26 15 6 29 33 42 16 21 12 12 6 7 7 5 6 7 7 5 6 10 7 7 8 14 16 51 100 25 9 7 8 8 8 5 7 6 6 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 3 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 4 4 5 6 4 4 6 6 4 4 6 6 4 4 6 5 4 4 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 6 6 5 4 6 6 5 4 6 6 5 5 6 5 4 5 6 5 5 5 6 6 5 8 10 9 14 10 24 15 8 7 6 11 13 13 0 59 38 11 10 6 4 6 7 5 4 5 6 5 4 5 6 5 4 5 6 4 4 5 6 4 4 6 6 4 4 6 6 4 4 6 5 4 4 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4; 1HNMR: 25 24 m 2H \| 24 23 m 2H \| 18 17 m 2H \| 16 15 dqt 3H J 51 79 105 \| 13 12 dddd 12H J 27 40 53 64 \| 9 8 m 3H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(Nc1c(Cl)ccc2c1OCO2)c1c(F)cc(F)cc1F	ir: 5 2 1 1 1 1 1 1 1 2 5 2 4 3 3 1 0 4 3 4 6 5 13 16 2 3 1 4 5 2 3 3 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 7 8 4 1 1 1 1 2 2 1 1 1 2 6 10 9 3 3 7 6 1 1 1 1 1 1 1 2 5 10 7 2 1 2 1 0 1 1 0 0 1 1 1 3 1 1 0 1 2 1 0 1 1 1 1 1 1 1 2 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 3 2 1 1 1 1 1 10 2 1 1 0 1 1 3 2 6 6 3 12 2 1 2 7 9 2 1 1 4 2 1 0 1 3 79 2 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 3 3 7 12 3 1 1 1 1 1 1 1 1 1 0 1 1 3 13 100 6 3 2 1 1 6 11 10 16 10 3 3 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 76 s 1H \| 71 71 s 1H \| 71 70 d 1H J 92 \| 68 67 m 2H \| 66 66 d 1H J 92 \| 59 59 s 2H	You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.

Subsets and Splits

No community queries yet

The top public SQL queries from the community will appear here once available.