| Carbon | C (atomic) | C | C 1s | aaa-cckk.os | SF |
| 1,2-dichloroethane | CH2Cl-CH2Cl | C2Cl2H4 | C 1s | ce-0cckk.os | H92a |
| 1,2-dichloroethane | CH2Cl-CH2Cl | C2Cl2H4 | Cl 2p | ce-0cll3.os | H92a |
| Trichloroethylene | CCl2=CHCl | C2Cl3H | C 1s | ec-0cckk.os | WH90 |
| Trichloroethylene | CCl2=CHCl | C2Cl3H | Cl 2p | ec-0cll3.os | WH90 |
| cis-1,2-difluoroethene | C2F2H2 | C2F2H2 | C 1s | ci-0cckk.os | MC&87 |
| cis-1,2-difluoroethene | C2F2H2 | C2F2H2 | F 1s | ci-0ffkk.os | MC&87 |
| 1,1 Difluoroethene | CF2CH2 | C2F2H2 | C 1s | ff-0cckk.os | RI&88 |
| 1,1 Difluoroethene | CF2CH2 | C2F2H2 | F 1s | ff-0ffkk.os | RI&88 |
| 1,1 Difluoroethane | CH3CF2H | C2F2H4 | C 1s | ck-0cckk.os | H19 |
| 1,1 Difluoroethane | CH3CF2H | C2F2H4 | F 1s | ck-0ffkk.os | H19 |
| Trifluoroethylene | CF2=CHF | C2F3H | C 1s | tr-0cckk.os | MI&87 |
| Trifluoroethylene | CF2=CHF | C2F3H | F 1s | tr-0ffkk.os | MI&87 |
| 1,1,1-trifluoro-ethane | CF3CH3 | C2F3H3 | C 1s | ef-0cckk.os | RI&88,H90 |
| 1,1,1-trifluoro-ethane | CF3CH3 | C2F3H3 | F 1s | ef-0ffkk.os | RI&88,H90 |
| Trifluoroacetic acid | CF3C00H | C2F3HO2 | C 1s | af-0cckk.os | RI&88 |
| Trifluoroacetic acid | CF3C00H | C2F3HO2 | F 1s | af-0ffkk.os | RI&88 |
| Trifluoroacetic acid | CF3C00H | C2F3HO2 | O 1s | af-0ookk.os | RI&88 |
| Trifluoroacetonitrile | CF3CN | C2F3N | C 1s | nt-0cckk.os | HS90 |
| Trifluoroacetonitrile | CF3CN | C2F3N | F 1s | nt-0ffkk.os | HS90 |
| Trifluoroacetonitrile | CF3CN | C2F3N | N 1s | nt-0nnkk.os | HS90 |
| Tetrafluoroethene | CF2CF2 | C2F4 | C 1s | te-0cckk.os | MC&87 |
| Tetrafluoroethene | CF2CF2 | C2F4 | F 1s | te-0ffkk.os | MC&87 |
| Hexafluoroethane | CF3CF3 | C2F6 | C 1s | fe-0cckk.os | RI&88 |
| Hexafluoroethane | CF3CF3 | C2F6 | F 1s | fe-0ffkk.os | IM&88 |
| Bis(trifluoromethyl) peroxide | CF3OOCF3 | C2F6O2 | C 1s | px-0cckk.os | MI&87 |
| Bis(trifluoromethyl) peroxide | CF3OOCF3 | C2F6O2 | F 1s | px-0ffkk.os | MI&87 |
| Bis(trifluoromethyl) peroxide | CF3OOCF3 | C2F6O2 | O 1s | px-0ookk.os | MI&87 |
| Vinylfluoride | CH2CHF | C2FH3 | C 1s | vf-0cckk.os | MI&87 |
| Vinylfluoride | CH2CHF | C2FH3 | F 1s | vf-0ffkk.os | MI&87 |
| Acetylene | C2H2 | C2H2 | C 1s | ae-0cckk.os | HB77 |
| Acetonitrile | CH2CN | C2H3N | C 1s | an-0cckk.os | HTM89 |
| Acetonitrile | CH2CN | C2H3N | N 1s | an-0nnkk.os | HTM89 |
| Methyl isocyanide | CH3N=C | C2H3N | C 1s | mi-0cckk.os | HTM89 |
| Methyl isocyanide | CH3N=C | C2H3N | N 1s | mi-0nnkk.os | HTM89 |
| Methylthiocyanide | CH3SCN | C2H3NS | C 1s | tc-0cckk.os | HTM89 |
| Methylthiocyanide | CH3SCN | C2H3NS | N 1s | tc-0nnkk.os | HTM89 |
| Methylthiocyanide | CH3SCN | C2H3NS | S 2p | tc-0ssl3.os | HTM89 |
| Methyl-thio-isocyanide | CH3SNC | C2H3NS | C 1s | ti-0cckk.os | HTM89 |
| Methyl-thio-isocyanide | CH3SNC | C2H3NS | N 1s | ti-0nnkk.os | HTM89 |
| Ethylene | C2H4 | C2H4 | C 1s | eh-0cckk.os | MC&87 |
| acetaldehyde | CH3CHO | C2H4O | C 1s | aa-0cckk.os | HB80b, FH15 |
| acetaldehyde | CH3CHO | C2H4O | O 1s | aa-0ookk.os | HB80b, FH15 |
| Acetic acid | CH3COOH | C2H4O2 | C 1s | ai-0cckk.os | RI&88 |
| Acetic acid | CH3COOH | C2H4O2 | O 1s | ai-0ookk.os | RI&88 |
| methyl formate | HCO2CH3 | C2H4O2 | C 1s | mr-0cckk.os | IH88 |
| methyl formate | HCO2CH3 | C2H4O2 | O 1s | mr-0ookk.os | IH88 |
| Biuret | C2H5N3O2 | C2H5N3O2 | C 1s | bu-0cckk.os | LCH03 |
| Biuret | C2H5N3O2 | C2H5N3O2 | N 1s | bu-0nnkk.os | LCH03 |
| glycine | NH2CH2COOH | C2H5O2N | C1s | gl-0cckk.os | GC&03 |
| glycine | NH2CH2COOH | C2H5O2N | C1s | gl-1cckk.os | GC&03, GC&04 |
| glycine | NH2CH2COOH | C2H5O2N | N1s | gl-0nnkk.os | GC&03 |
| glycine | NH2CH2COOH | C2H5O2N | O1s | gl-0ookk.os | GC&03 |
| Ethane | C2H6 | C2H6 | C 1s | et-0cckk.os | IM&88 |
| Ethanol | CH3CH2OH | C2H6O | C 1s | ea-0cckk.os | H92a |
| Ethanol | CH3CH2OH | C2H6O | O 1s | ea-0ookk.os | H92a |
| propionic acid | CH3CH2COOH | C2H6O2 | C 1s | pn-0cckk.os | IH88 |
| propionic acid | CH3CH2COOH | C2H6O2 | O 1s | pn-0ookk.os | IH88 |
| ethylene glycol | OH-CH2CH2-OH | C2H6O2 | C 1s | eg-0cckk.os | EU&98 |
| ethylene glycol | OH-CH2CH2-OH | C2H6O2 | O 1s | eg-0ookk.os | EU&98 |
| Methyl methanesulfonate | CH3SO3CH3 | C2H6O3S | C1s | mw-0cckk.os | HH14 |
| Methyl methanesulfonate | CH3SO3CH3 | C2H6O3S | O1s | mw-0ookk.os | HH14 |
| Methyl methanesulfonate | CH3SO3CH3 | C2H6O3S | S2p | mw-0ssll.os | HH14 |
| dimethyl sulfoxide (DMSO) | (CH3)2SO | C2H6OS | C 1s | ds-0cckk.os | H15 |
| dimethyl sulfoxide (DMSO) | (CH3)2SO | C2H6OS | C 1s | ds-0ookk.os | H15 |
| dimethyl sulfoxide (DMSO) | (CH3)2SO | C2H6OS | C 1s | ds-0ssl1.os | H15 |
| dimethyl sulfoxide (DMSO) | (CH3)2SO | C2H6OS | C 1s | ds-0ssl3.os | H15 |
| dimethyl sulfoxide (DMSO) | (CH3)2SO | C2H6OS | all | ds-0aakk.os | H15 |
| 1,1,1-Trifluoropropyne | CF3CCH | C3F3H | C 1s | yf-0cckk.os | HS90 |
| 1,1,1-Trifluoropropyne | CF3CCH | C3F3H | F 1s | yf-0ffkk.os | HS90 |
| Perfluorocyclopropane | c-C3F6 | C3F6 | C 1s | fr-0cckk.os | HTM89 |
| Perfluorocyclopropane | c-C3F6 | C3F6 | F 1s | fr-0ffkk.os | HTM89 |
| Perfluoroacetone | CF3COCF3 | C3F6O | C 1s | ha-0cckk.os | RI&88 |
| Perfluoroacetone | CF3COCF3 | C3F6O | F 1s | ha-0ffkk.os | RI&88 |
| Perfluoroacetone | CF3COCF3 | C3F6O | O 1s | ha-0ookk.os | RI&88 |
| perfluoropropane | C3F8 | C3F8 | C 1s | fp-0cckk.os | RI&88 |
| Perfluoropropane | CF3CF2CF3 | C3F8 | F 1s | fp-0ffkk.os | RI&88 |
| Propiolic acid | HCCCO2H | C3H2O2 | C 1s | pp-0cckk.os | IH88 |
| Propiolic acid | HCCCO2H | C3H2O2 | O 1s | pp-0ookk.os | IH88 |
| s-triazine | C3N3H3 | C3H3N3 | C 1s | tz-0cckk.os | AHG93 |
| s-triazine | C3N3H3 | C3H3N3 | N 1s | tz-0nnkk.os | AHG93 |
| Propyne | C3H4 | C3H4 | C 1s | pw-0cckk.os | HS90 |
| Imidazole | C3H4N2 | C3H4N2 | C 1s | iz-0cckk.os | AHG93 |
| Imidazole | C3H4N2 | C3H4N2 | N 1s | iz-0nnkk.os | AHG93 |
| Propargyl alcohol | C3H4O | C3H4O | C 1s | pg-0cckk.os | IH88 |
| Propargyl alcohol | C3H4O | C3H4O | O 1s | pg-0ookk.os | IH88 |
| Acrylic acid | CH2=CH-CO2H | C3H4O2 | C 1s | ac-0cckk.os | IH88 |
| Acrylic acid | CH2=CH-CO2H | C3H4O2 | O 1s | ac-0ookk.os | IH88 |
| propene | C3H6 | C3H6 | C 1s | pc-0cckk.os | HS90 |
| Cyclopropane | c-C3H6 | C3H6 | C 1s | cp-0cckk.os | HN&86 |
| Malonamide | NH2(CO)CH2(CO)NH2 | C3H6N2O2 | C1s | kr-0cckk.os | LCH03 |
| Malonamide | NH2(CO)CH2(CO)NH2 | C3H6N2O2 | N1s | kr-0nnkk.os | LCH03 |
| Malonamide | NH2(CO)CH2(CO)NH2 | C3H6N2O2 | O1s | kr-0ookk.os | LCH03 |
| Acetone | (CH3)2CO | C3H6O | 01s | at-0ookk.os | RI&88 |
| Acetone | (CH3)2CO | C3H6O | C1s | at-0cckk.os | RI&88 |
| Acetone | (CH3)2CO | C3H6O | C1s | at-1cckk.os | HH13 |
| Acetone | (CH3)2CO | C3H6O | O1s | at-1ookk.os | HH13 |
| Allylic alcohol | H2CCHCH2OH | C3H6O | C 1s | al-0cckk.os | IH88 |
| Allylic alcohol | H2CCHCH2OH | C3H6O | O 1s | al-0ookk.os | IH88 |
| dimethyl carbonate | (CH3O)2CO | C3H6O3 | C 1s | gm-0cckk.os | HW&91 |
| dimethyl carbonate | (CH3O)2CO | C3H6O3 | O 1s | gm-0ookk.os | HW&91 |
| lactic acid | CH3CH(OH)COOH | C3H6O3 | 01s | la-0ookk.os | GC&03 |
| lactic acid | CH3CH(OH)COOH | C3H6O3 | C1s | la-0cckk.os | GC&03 |
| alanine | CH3CH(NH2)(COOH) | C3H7NO2 | 0 1s | ah-0ookk.os | GH01 |
| alanine | CH3CH(NH2)(COOH) | C3H7NO2 | C1s | ah-0cckk.os | GH&04 |
| alanine | CH3CH(NH2)(COOH) | C3H7NO2 | N1s | ah-0nnkk.os | GH01 |
| ethyl carbamate | NH2COOC2H5 | C3H7NO2 | C 1s | if-0cckk.os | UH&95b |
| ethyl carbamate | NH2COOC2H5 | C3H7NO2 | N 1s | if-0nnkk.os | UH&95b |
| ethyl carbamate | NH2COOC2H5 | C3H7NO2 | O 1s | if-0ookk.os | UH&95b |
| cysteine | NH2-CH(CH2SH)-COOH | C3H7NO2S | C 1s | ld-0cckk.os | JS&08 |
| n-propane | C3H8 | C3H8 | C 1s | nr-0cckk.os | HI87 |
| Isopropanol | C3H7OH | C3H8O | C1s | is-0cckk.os | HH13 |
| Isopropanol | C3H7OH | C3H8O | C1s | is-0ookk.os | HH13 |
| n-Propanol | CH3CH2CH2OH | C3H8O | C 1s | pl-0cckk.os | IH88 |
| n-Propanol | CH3CH2CH2OH | C3H8O | O 1s | pl-0ookk.os | IH88 |
| 1,2-propanediol | C3H8O2 | C3H8O2 | C 1s | pk-0cckk.os | EUH98 |
| 1,2-propanediol | C3H8O2 | C3H8O2 | O 1s | pk-0ookk.os | EUH98 |
| azido trimethylsilane | (CH3)3Si-N3 | C3H9N3Si | C 1s | uw-0cckk.os | UP |
| azido trimethylsilane | (CH3)3Si-N3 | C3H9N3Si | N 1s | uw-0nnkk.os | UP |