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Table 4 HOSE Codes for given atomIDs (hard errors)

From: Building blocks for automated elucidation of metabolites: Machine learning methods for NMR prediction

atomIds

Hose Code

10189925

H-1;C(HHC/HCC/HHC,HHH)HCN/=OO,HS/

10189928

H-1;C(HHC/HCC/HHC,HHH)HCN/=OO,HS/

10324987

H-1;C(HHC/HCC/HCN,HHH)HHO,CC/&,=OC,=O&/

10324990

H-1;C(HHC/HCC/HCN,HHH)HHO,CC/&,=OC,=O&/

20958256

H-1;C(HCC/HCN,*C*C/HHO,CC,H,H,*C,*C)&,=OC,=O&,H,H,*C,*&/,,=CC,,H*&/

20958257

H-1;C(HCC/HCN,*C*C/HHO,CC,H,H,*C,*C)&,=OC,=O&,H,H,*C,*&/,,=CC,,H*&/

11110950

H-1;C(HCC/=CC,HHC/CC,CCC,=CC)HHC,HHH,HC&,HHH,HHH,HC,HHH/HH&,HHC,HHC/

11110951

H-1;C(HCC/=CC,HHC/CC,CCC,=CC)HHC,HHH,HC&,HHH,HHH,HC,HHH/HH&,HHC,HHC/

10323000

H-1;C(HCC/CCC,HHC/H,H,C,C,C,C,HHH,HC&)H,H&,C,C,C,HH,HH&,&,CCC/,HH,HH,C,C,HHH,H&C,HHC,HHH/

10323001

H-1;C(HCC/CCC,HHC/H,H,C,C,C,C,HHH,HC&)H,H&,C,C,C,HH,HH&,&,CCC/,HH,HH,C,C,HHH,H&C,HHC,HHH/

10335470

H-1;C(HCC/HCC,*C*C/=O&,HHH,*C,*C,*C,&),*C*C,H,H*C,*&/,H,H*C,*&,*&O/

10335471

H-1;C(HCC/HCC,*C*C/=O&,HHH,*C,*C,*C,&),*C*C,H,H*C,*&/,H,H*C,*&,*&O/

283794

H-1;C(*C*C/*C*N,H*C/*C*S,*C,H*&)H*&,*&,*&S/,=O=OC/

296084

H-1;C(*C*C/*CC,H*C/H*C,H=N,*&C)H*&,C,H=N/,HHC,C/