Example database creation: AAA original data

This is the original data used to create the AAA database, as the file aaa_orig.tdt.


$DID<CRC53-C744.01>
ISM<NC(C)C(=O)O>
PCN<Alanine>
SOL<0.0087;CCO ethanol;25.0;Cohn, E. J., McMeekin, T. L., Edsall, J. T., and Weare, J. H.;J. Am. Chem. Soc., 58, 2270 (1934)>
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$DID<CRC53-C744.02>
ISM<N[C@@H](CC(=O)O)C(=O)O>
PCN<L-aspartate>
SOL<0.000196;CCO ethanol;25.0;McMeekin, T., L., Cohn, E. J., and Weare, J. H.;J. Am. Chem. Soc., 103, 2270 (1933)>
|
$DID<CRC53-C744.03>
ISM<N[C@@H](CCC(=O)O)C(=O)O>
PCN<L-glutamate>
SOL<0.000347;CCO ethanol;25.0;McMeekin, T., L., Cohn, E. J., and Weare, J. H.;J. Am. Chem. Soc., 103, 2270 (1933)>
|
$DID<CRC53-C744.04>
ISM<N[C@@H](CCC(=O)O)C(=O)O>
PCN<L-glutamate>
SOL<0.0056;CCO ethanol;44.93;McMeekin, T., L., Cohn, E. J., and Weare, J. H.;J. Am. Chem. Soc., 103, 2270 (1933)>
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$DID<CRC53-C744.05>
ISM<NCC(=O)O>
PCN<Glycine>
SOL<0.000291;CC(=O)C acetone;25.0;McMeekin, T., L., Cohn, E. J., and Weare, J. H.;J. Am. Chem. Soc, 58, 2173 (1936)>
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$DID<CRC53-C744.06>
ISM<NCC(=O)O>
PCN<Glycine>
SOL<0.000892;CCCO butanol;25.0;McMeekin, T., L., Cohn, E. J., and Weare, J. H.;J. Am. Chem. Soc, 58, 2173 (1936)>
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$DID<CRC53-C744.07>
ISM<NCC(=O)O>
PCN<Glycine>
SOL<0.0037;CCO ethanol;25.0;Cohn, E. J., McMeekin, T. L., Edsall, J. T., and Weare, J. H.;J. Am. Chem. Soc., 58, 2270 (1934)>
|
$DID<CRC53-C744.08>
ISM<NCC(=O)O>
PCN<Glycine>
SOL<0.558;O=CN formamide;25.0;McMeekin, T., L., Cohn, E. J., and Weare, J. H.;J. Am. Chem. Soc, 58, 2173 (1936)>
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$DID<CRC53-C744.09>
ISM<NCC(=O)O>
PCN<Glycine>
SOL<0.0407;CO methanol;25.0;McMeekin, T., L., Cohn, E. J., and Weare, J. H.;J. Am. Chem. Soc, 58, 2173 (1936)>
|
$DID<CRC53-C744.10>
ISM<N[C@@H]([C@@H](C)CC)C(=O)O>
PCN<L-allo-isoleucine>
SOL<0.13;CCO ethanol;20;Abderhalden, E. and Zeisset, W.;Z. physiol. Chem., 196, 121 (1931)>
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$DID<CRC53-C744.11>
ISM<N[C@@H]([C@@H](C)CC)C(=O)O>
PCN<L-allo-isoleucine>
SOL<0.19;CCO ethanol;79;Abderhalden, E. and Zeisset, W.;Z. physiol. Chem., 196, 121 (1931)>
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$DID<CRC53-C744.12>
ISM<N[C@@H](C(C)CC)C(=O)O>
PCN<L-isoleucine>
SOL<0.09;CCO ethanol;20;Abderhalden, E. and Zeisset, W.;Z. physiol. Chem., 196, 121 (1931)>
|
$DID<CRC53-C744.13>
ISM<N[C@@H](C(C)CC)C(=O)O>
PCN<L-isoleucine>
SOL<0.13;CCO ethanol;79;Abderhalden, E. and Zeisset, W.;Z. physiol. Chem., 196, 121 (1931)>
|
$DID<CRC53-C744.14>
ISM<N[C@@H](CC(C)C)C(=O)O>
PCN<L-leucine>
SOL<0.217;CCO ethanol;25.0;Cohn, E. J., McMeekin, T. L., Edsall, J. T., and Weare, J. H.;J. Am. Chem. Soc., 58, 2270 (1934)>
|
$DID<CRC53-C744.15>
ISM<N1[C@@H](CCC1)C(=O)O>
PCN<L-proline>
SOL<1.5;CCO ethanol;19;Kapfhammer, J. and Eck, R.;Z. physiol. Chem., 170, 294 (1927)>
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$DID<CRC53-C744.16>
ISM<NC(C(C)C)C(=O)O>
PCN<Valine>
SOL<0.019;CCO ethanol;25.0;Cohn, E. J., McMeekin, T. L., Edsall, J. T., and Weare, J. H.;J. Am. Chem. Soc., 58, 2270 (1934)>
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$DID<CRC53-C744.17>
ISM<NC(C(C)C)C(=O)O>
PCN<Valine>
SOL<0.0136;CCO ethanol;0.03;Dunn, M. S. and Rose, F. J.;J. Biol. Chem., 124, 300 (1938)>
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