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test: multifile

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  1. data_clean.csv +21 -0
data_clean.csv ADDED
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+ SMILES,aminoacid_name,three_letter_code,one_letter_code,type
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+ C[C@@H](C(=O)O)N,alanine,ala,A,non-polar
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+ C(C[C@@H](C(=O)O)N)CN=C(N)N,arginine,arg,R,positively charged
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+ C([C@@H](C(=O)O)N)C(=O)N,asparagine,asn,N,polar
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+ C([C@@H](C(=O)O)N)C(=O)O,aspartic acid,asp,D,negatively charged
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+ C([C@@H](C(=O)O)N)S,cysteine,cys,C,non-polar
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+ C(CC(=O)O)[C@@H](C(=O)O)N,glutamic acid,glu,E,negatively charged
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+ C(CC(=O)N)[C@@H](C(=O)O)N,glutamine,gln,Q,polar
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+ C(C(=O)O)N,glycine,gly,G,non-polar
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+ C1=C(NC=N1)C[C@@H](C(=O)O)N,histidine,his,H,positively charged
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+ CC[C@H](C)[C@@H](C(=O)O)N,isoleucine,ile,I,non-polar
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+ CC(C)C[C@@H](C(=O)O)N,leucine,leu,L,non-polar
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+ C(CCN)C[C@@H](C(=O)O)N,lysine,lys,K,positively charged
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+ CSCC[C@@H](C(=O)O)N,methionine,met,M,non-polar
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+ C1=CC=C(C=C1)C[C@@H](C(=O)O)N,phenylalanine,phe,F,non-polar
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+ C1C[C@H](NC1)C(=O)O,proline,pro,P,non-polar
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+ C([C@@H](C(=O)O)N)O,serine,ser,S,polar
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+ C[C@H]([C@@H](C(=O)O)N)O,threonine,thr,T,polar
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+ C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N,tryptophan,trp,W,non-polar
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+ C1=CC(=CC=C1C[C@@H](C(=O)O)N)O,tyrosine,tyr,Y,polar
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+ CC(C)[C@@H](C(=O)O)N,valine,val,V,non-polar