mySQL AtomCounts

When a structure is read in using the standard thermodynamic format, the third line gives the atom counts for the structure. The purpose of using atom counts is to facilitate the substructure search.

The AtomCounts mySQL table has the following elements::

AtomCountKey: A unique key for the element
Molecule: This is the name of the molecule
AtomSymbol: The is the atomic name
AtomCount: The number of the type of atom

A particular molecule has several elements, one for each atom, within a molecule. For example the 2-butanone has three elements, corresponding to the three atoms, C, H and O:

select * from AtomCounts where Molecule='2-butanone';

+--------------+------------+------------+-----------+

+--------------+------------+------------+-----------+

| 2-butanone-C | 2-butanone | C | 4 |

| 2-butanone-O | 2-butanone | O | 1 |

| 2-butanone-H | 2-butanone | H | 8 |

+--------------+------------+------------+-----------+

select * from AtomCounts;+------------------------------------+----------------------------------+------------+-----------+| AtomCountKey | Molecule | AtomSymbol | AtomCount |+------------------------------------+----------------------------------+------------+-----------+| methyl nitrate-H | methyl nitrate | H | 3 || methyl nitrate-NO3 | methyl nitrate | NO3 | 1 || hydrazine-N | hydrazine | N | 2 || hydrazine-H | hydrazine | H | 4 || nitric acid-NO3 | nitric acid | NO3 | 1 || nitric acid-H | nitric acid | H | 1 || methanol-O | methanol | O | 1 || methyl nitrate-C | methyl nitrate | C | 1 || iodine heptafluoride-F | iodine heptafluoride | F | 7 || ch2//c(ch3)/ch2-C | ch2//c(ch3)/ch2 | C | 4 || ch2//ch/ch2-C | ch2//ch/ch2 | C | 3 || ch2//ch-C | ch2//ch | C | 2 || c///ch-C | c///ch | C | 2 || i-c4h9-C | i-c4h9 | C | 4 || s-c4h9(*)-C | s-c4h9(*) | C | 4 || t-c4h9(*)-C | t-c4h9(*) | C | 4 || t-c5h11-C | t-c5h11 | C | 5 || n-c4h9-C | n-c4h9 | C | 4 || n-c3h7(*)-C | n-c3h7(*) | C | 3 || i-c3h7(*)-C | i-c3h7(*) | C | 3 || cyanato-N | cyanato | N | 1 || ch3(.)-C | ch3(.) | C | 1 || c2h5(*)-C | c2h5(*) | C | 2 || cyanato-O | cyanato | O | 1 || cyanato-C | cyanato | C | 1 || iodo-I | iodo | I | 1 || fluoro-F | fluoro | F | 1 || chlorosyle-CL | chlorosyle | CL | 1 || bromo-BR | bromo | BR | 1 || chloro-CL | chloro | CL | 1 || chlorosyle-O | chlorosyle | O | 1 || bromotrifluoromethane-C | bromotrifluoromethane | C | 1 || bromotrifluoromethane-BR | bromotrifluoromethane | BR | 1 || bromotrifluoromethane-F | bromotrifluoromethane | F | 3 || ch2i2-C | ch2i2 | C | 1 || ch2i2-H | ch2i2 | H | 2 || ch2i2-I | ch2i2 | I | 2 || ch2br2-C | ch2br2 | C | 1 || ch2br2-BR | ch2br2 | BR | 2 || ch2br2-H | ch2br2 | H | 2 || ch3f-C | ch3f | C | 1 || ch3cl-CL | ch3cl | CL | 1 || ch3cl-H | ch3cl | H | 3 || ch3cl-C | ch3cl | C | 1 || ch3i-I | ch3i | I | 1 || ch3i-H | ch3i | H | 3 || ch3i-C | ch3i | C | 1 || ch2cl2-CL | ch2cl2 | CL | 2 || ch2cl2-H | ch2cl2 | H | 2 || ch2cl2-C | ch2cl2 | C | 1 || ch2f2-F | ch2f2 | F | 2 || ch2f2-H | ch2f2 | H | 2 || ch2f2-C | ch2f2 | C | 1 || ch3f-H | ch3f | H | 3 || ch3f-F | ch3f | F | 1 || methyl bromide-C | methyl bromide | C | 1 || methyl bromide-BR | methyl bromide | BR | 1 || propynoic acid-H | propynoic acid | H | 2 || propynoic acid-C | propynoic acid | C | 3 || tetryl-C | tetryl | C | 1 || methyl bromide-H | methyl bromide | H | 3 || phthalic anhydride-H | phthalic anhydride | H | 4 || 1,3,5-trinitrohexahydro-s-tria-H | 1,3,5-trinitrohexahydro-s-tria | H | 6 || 1,3,5-trinitrohexahydro-s-tria-C | 1,3,5-trinitrohexahydro-s-tria | C | 3 || 1,3,5-trinitrohexahydro-s-tria-N | 1,3,5-trinitrohexahydro-s-tria | N | 3 || ethylene glycol-O | ethylene glycol | O | 2 || ethylene glycol-H | ethylene glycol | H | 6 || ethylene glycol-C | ethylene glycol | C | 2 || phthalic anhydride-O | phthalic anhydride | O | 3 || 1,3,5-trinitrohexahydro-s-tria-NO2 | 1,3,5-trinitrohexahydro-s-tria | NO2 | 3 || phthalic anhydride-C | phthalic anhydride | C | 8 || phthalic anhydride- | phthalic anhydride | | 4 || propynoic acid-O | propynoic acid | O | 2 || anisole-C | anisole | C | 1 || benzamide-C | benzamide | C | 1 || ethyl isocyanate-O | ethyl isocyanate | O | 1 || ethyl isocyanate-H | ethyl isocyanate | H | 5 || ethyl isocyanate-C | ethyl isocyanate | C | 3 || ethyl isocyanate-N | ethyl isocyanate | N | 1 || naphtalene-C | naphtalene | C | 10 || naphtalene-H | naphtalene | H | 8 || n-octane-H | n-octane | H | 18 || n-octane-C | n-octane | C | 8 || alpha-methyl styrene-C | alpha-methyl styrene | C | 1 || cumene-C | cumene | C | 1 || azulene-H | azulene | H | 8 || azulene-C | azulene | C | 10 || 2,4-dimethylhexane-C | 2,4-dimethylhexane | C | 8 || 2,3-dimethylhexane-H | 2,3-dimethylhexane | H | 18 || 2,3-dimethyl-1-butene-C | 2,3-dimethyl-1-butene | C | 6 || 2-ethyl-1-butene-H | 2-ethyl-1-butene | H | 12 || sulfur hexafluoride-S | sulfur hexafluoride | S | 1 || phosphorus pentafluoride-P | phosphorus pentafluoride | P | 1 || 2,3-dimethylhexane-C | 2,3-dimethylhexane | C | 8 || 2,4-dimethylhexane-H | 2,4-dimethylhexane | H | 18 || ethyl cyclohexane-C | ethyl cyclohexane | C | 8 || tetrafluorohydrazine-N | tetrafluorohydrazine | N | 2 || tetrafluorohydrazine-F | tetrafluorohydrazine | F | 4 || 2,2-dimethylhexane-C | 2,2-dimethylhexane | C | 8 || 2,2-dimethylhexane-H | 2,2-dimethylhexane | H | 18 || m-xylene-C | m-xylene | C | 1 || o-xylene-C | o-xylene | C | 1 || p-xylene-C | p-xylene | C | 1 || ethyl cyclohexane-H | ethyl cyclohexane | H | 16 || n-heptane-H | n-heptane | H | 16 || n-heptane-C | n-heptane | C | 7 || phenylacetylene-C | phenylacetylene | C | 1 || styrene-C | styrene | C | 1 || acetophenone-C | acetophenone | C | 1 || ethylbenzene-C | ethylbenzene | C | 1 || ethyl cyclopentane-H | ethyl cyclopentane | H | 14 || ethyl cyclopentane-C | ethyl cyclopentane | C | 7 || cycloheptane-C | cycloheptane | C | 7 || cycloheptane-H | cycloheptane | H | 14 || benzoic acid-C | benzoic acid | C | 1 || toluene-C | toluene | C | 1 || oxyde de dipropyle-C | oxyde de dipropyle | C | 6 || triethylamine-H | triethylamine | H | 15 || triethylamine-C | triethylamine | C | 6 || triethylamine-N | triethylamine | N | 1 || benzonitrile-C | benzonitrile | C | 1 || phenyl isocyanate-C | phenyl isocyanate | C | 1 || phenyl cyanate-C | phenyl cyanate | C | 1 || benzaldehyde-C | benzaldehyde | C | 1 || formaldehyde-C | formaldehyde | C | 1 || formaldehyde-H | formaldehyde | H | 2 || formaldehyde-O | formaldehyde | O | 1 || 2-pentene,trans-C | 2-pentene,trans | C | 5 || 3-pentanone-O | 3-pentanone | O | 1 || 3-pentanone-H | 3-pentanone | H | 10 || 3-pentanone-C | 3-pentanone | C | 5 || n-bromopentane-H | n-bromopentane | H | 11 || n-bromopentane-BR | n-bromopentane | BR | 1 || n-bromopentane-C | n-bromopentane | C | 5 || n-chloropentane-CL | n-chloropentane | CL | 1 || n-chloropentane-H | n-chloropentane | H | 11 || n-chloropentane-C | n-chloropentane | C | 5 || iso-pentane-H | iso-pentane | H | 12 || iso-pentane-C | iso-pentane | C | 5 || n-pentane-H | n-pentane | H | 12 || n-pentane-C | n-pentane | C | 5 || tert-butyl methyl alcohol-O | tert-butyl methyl alcohol | O | 1 || tert-butyl methyl alcohol-H | tert-butyl methyl alcohol | H | 12 || tert-butyl methyl alcohol-C | tert-butyl methyl alcohol | C | 5 || n-pentanethiol-S | n-pentanethiol | S | 1 || n-pentanethiol-H | n-pentanethiol | H | 12 || n-pentanethiol-C | n-pentanethiol | C | 5 || p-benzoquinone-O | p-benzoquinone | O | 2 || p-benzoquinone-H | p-benzoquinone | H | 4 || p-benzoquinone-C | p-benzoquinone | C | 6 || bromobenzene-H | bromobenzene | H | 5 || bromobenzene-BR | bromobenzene | BR | 1 || bromobenzene-C | bromobenzene | C | 6 || chlorobenzene-CL | chlorobenzene | CL | 1 || chlorobenzene-H | chlorobenzene | H | 5 || chlorobenzene-C | chlorobenzene | C | 6 || fluorobenzene-F | fluorobenzene | F | 1 || fluorobenzene-H | fluorobenzene | H | 5 || fluorobenzene-C | fluorobenzene | C | 6 || iodobenzene-I | iodobenzene | I | 1 || iodobenzene-H | iodobenzene | H | 5 || iodobenzene-C | iodobenzene | C | 6 || nitrobenzene-H | nitrobenzene | H | 5 || nitrobenzene-C | nitrobenzene | C | 6 || nitrobenzene-NO2 | nitrobenzene | NO2 | 1 || benzene-H | benzene | H | 6 || benzene-C | benzene | C | 6 || phenol-C | phenol | C | 1 || benzenethiol-C | benzenethiol | C | 1 || aniline (benzenamine)-C | aniline (benzenamine) | C | 1 || cyclohexene-H | cyclohexene | H | 10 || cyclohexene-C | cyclohexene | C | 6 || cyclohexanone-O | cyclohexanone | O | 1 || cyclohexanone-H | cyclohexanone | H | 10 || cyclohexanone-C | cyclohexanone | C | 6 || 2,3-dimethyl-1-butene-H | 2,3-dimethyl-1-butene | H | 12 || nitrogen trifluoride-N | nitrogen trifluoride | N | 1 || nitrogen trifluoride-F | nitrogen trifluoride | F | 3 || oxyde de dipropyle-H | oxyde de dipropyle | H | 14 || oxyde de dipropyle-O | oxyde de dipropyle | O | 1 || oxyde de diisopropyle-C | oxyde de diisopropyle | C | 6 || oxyde de diisopropyle-H | oxyde de diisopropyle | H | 14 || n-hexanol-C | n-hexanol | C | 6 || disulfur dichloride-CL | disulfur dichloride | CL | 2 || oxyde de diisopropyle-O | oxyde de diisopropyle | O | 1 || n-hexanol-H | n-hexanol | H | 14 || n-hexanol-O | n-hexanol | O | 1 || 3-methyl pentane-C | 3-methyl pentane | C | 6 || 3-methyl pentane-H | 3-methyl pentane | H | 14 || n-hexane-C | n-hexane | C | 6 || n-hexane-H | n-hexane | H | 14 || 2,2-dimethylbutane-C | 2,2-dimethylbutane | C | 6 || 2,2-dimethylbutane-H | 2,2-dimethylbutane | H | 14 || n-hexanal-C | n-hexanal | C | 6 || n-hexanal-H | n-hexanal | H | 12 || cyclohexanol-O | cyclohexanol | O | 1 || cyclohexanol-H | cyclohexanol | H | 12 || cyclohexanol-C | cyclohexanol | C | 6 || n-hexanal-O | n-hexanal | O | 1 || methyl cyclopentane-C | methyl cyclopentane | C | 6 || methyl cyclopentane-H | methyl cyclopentane | H | 12 || 2-ethyl-1-butene-C | 2-ethyl-1-butene | C | 6 || 2-pentene,cis-H | 2-pentene,cis | H | 10 || 2-pentene,cis-C | 2-pentene,cis | C | 5 || 2-pentene,trans-H | 2-pentene,trans | H | 10 || 2-methyl-1-butene-C | 2-methyl-1-butene | C | 5 || 2-methyl-1-butene-H | 2-methyl-1-butene | H | 10 || 1,3-pentadiene,cis-H | 1,3-pentadiene,cis | H | 8 || 1,3-pentadiene,cis-C | 1,3-pentadiene,cis | C | 5 || 1,3-pentadiene,trans-H | 1,3-pentadiene,trans | H | 8 || 1,3-pentadiene,trans-C | 1,3-pentadiene,trans | C | 5 || 2-methyl-1,3-butadiene-C | 2-methyl-1,3-butadiene | C | 5 || 2-methyl-1,3-butadiene-H | 2-methyl-1,3-butadiene | H | 8 || pyridine-N | pyridine | N | 1 || pyridine-C | pyridine | C | 5 || pyridine-H | pyridine | H | 5 || n-butylamine-N | n-butylamine | N | 1 || n-butylamine-C | n-butylamine | C | 4 || diethylamine-C | diethylamine | C | 4 || diethylamine-N | diethylamine | N | 1 || n-butylamine-H | n-butylamine | H | 11 || ethyl peroxide-C | ethyl peroxide | C | 4 || diethylamine-H | diethylamine | H | 11 || ethyl peroxide-H | ethyl peroxide | H | 10 || oxyde de methyl et de n-propyl-C | oxyde de methyl et de n-propyl | C | 4 || ethyl peroxide-O | ethyl peroxide | O | 2 || oxyde de methyl et de n-propyl-H | oxyde de methyl et de n-propyl | H | 10 || oxyde de methyl et de n-propyl-O | oxyde de methyl et de n-propyl | O | 1 || diethyl ether (ether)-C | diethyl ether (ether) | C | 4 || diethyl ether (ether)-H | diethyl ether (ether) | H | 10 || diethyl ether (ether)-O | diethyl ether (ether) | O | 1 || ter-butyl alcohol-C | ter-butyl alcohol | C | 4 || ter-butyl alcohol-H | ter-butyl alcohol | H | 10 || sec-butyl alcohol-H | sec-butyl alcohol | H | 10 || sec-butyl alcohol-C | sec-butyl alcohol | C | 4 || ter-butyl alcohol-O | ter-butyl alcohol | O | 1 || sec-butyl alcohol-O | sec-butyl alcohol | O | 1 || n-butane-C | n-butane | C | 4 || n-butane-H | n-butane | H | 10 || n-nitrobutane-NO2 | n-nitrobutane | NO2 | 1 || n-nitrobutane-C | n-nitrobutane | C | 4 || n-nitrobutane-H | n-nitrobutane | H | 9 || ethyl acetate-C | ethyl acetate | C | 4 || ethyl acetate-H | ethyl acetate | H | 8 || ethyl acetate-O | ethyl acetate | O | 2 || p-dioxane (1,4-dioxane)-O | p-dioxane (1,4-dioxane) | O | 2 || p-dioxane (1,4-dioxane)-H | p-dioxane (1,4-dioxane) | H | 8 || p-dioxane (1,4-dioxane)-C | p-dioxane (1,4-dioxane) | C | 4 || tetrahydrofuran (THF)-C | tetrahydrofuran (THF) | C | 4 || tetrahydrofuran (THF)-H | tetrahydrofuran (THF) | H | 8 || tetrahydrofuran (THF)-O | tetrahydrofuran (THF) | O | 1 || 2-butanone-C | 2-butanone | C | 4 || 2-butanone-O | 2-butanone | O | 1 || 2-methylpropene-C | 2-methylpropene | C | 4 || 2-butene,trans-C | 2-butene,trans | C | 4 || 2-butyne-H | 2-butyne | H | 6 || 2-butyne-C | 2-butyne | C | 4 || acetic anhydride-O | acetic anhydride | O | 3 || acetic anhydride-H | acetic anhydride | H | 6 || acetic anhydride-C | acetic anhydride | C | 4 || acetic anhydride- | acetic anhydride | | 4 || n-butyronitrile-H | n-butyronitrile | H | 7 || n-butyronitrile-C | n-butyronitrile | C | 4 || n-butyronitrile-N | n-butyronitrile | N | 1 || 1-butene-H | 1-butene | H | 8 || 1-butene-C | 1-butene | C | 4 || 2-butene,cis-H | 2-butene,cis | H | 8 || 2-butene,cis-C | 2-butene,cis | C | 4 || 2-butene,trans-H | 2-butene,trans | H | 8 || 2-butanone-H | 2-butanone | H | 8 || propane-H | propane | H | 8 || iso-nitropropane-NO2 | iso-nitropropane | NO2 | 1 || iso-nitropropane-C | iso-nitropropane | C | 3 || iso-nitropropane-H | iso-nitropropane | H | 7 || n-nitropropane-NO2 | n-nitropropane | NO2 | 1 || methyl acetate-C | methyl acetate | C | 3 || n-iodopropane-I | n-iodopropane | I | 1 || n-iodopropane-H | n-iodopropane | H | 7 || n-iodopropane-C | n-iodopropane | C | 3 || n-nitropropane-H | n-nitropropane | H | 7 || n-nitropropane-C | n-nitropropane | C | 3 || oxygen-O | oxygen | O | 2 || nitrogen-N | nitrogen | N | 2 || iodine-I | iodine | I | 2 || 2-methylpropene-H | 2-methylpropene | H | 8 || 1-butyne-C | 1-butyne | C | 4 || 1,2-butadiene-H | 1,2-butadiene | H | 6 || 1,2-butadiene-C | 1,2-butadiene | C | 4 || 1,3-butadiene-H | 1,3-butadiene | H | 6 || 1,3-butadiene-C | 1,3-butadiene | C | 4 || 1-butyne-H | 1-butyne | H | 6 || 1-buten-3-yne-C | 1-buten-3-yne | C | 4 || 1-buten-3-yne-H | 1-buten-3-yne | H | 4 || n-propyl alcohol-H | n-propyl alcohol | H | 8 || n-propyl alcohol-C | n-propyl alcohol | C | 3 || 1,3-butadiyne-H | 1,3-butadiyne | H | 2 || 1,3-butadiyne-C | 1,3-butadiyne | C | 4 || n-propyl alcohol-O | n-propyl alcohol | O | 1 || isopropyl alcohol-C | isopropyl alcohol | C | 3 || isopropyl alcohol-O | isopropyl alcohol | O | 1 || isopropyl alcohol-H | isopropyl alcohol | H | 8 || propane-C | propane | C | 3 || methyl acetate-H | methyl acetate | H | 6 || methyl acetate-O | methyl acetate | O | 2 || propylene oxide-C | propylene oxide | C | 1 || acetone-C | acetone | C | 3 || allyl alcohol-O | allyl alcohol | O | 1 || allyl alcohol-H | allyl alcohol | H | 6 || allyl alcohol-C | allyl alcohol | C | 3 || acetone-H | acetone | H | 6 || propylene (propene)-C | propylene (propene) | C | 3 || acetone-O | acetone | O | 1 || acrylic acid-H | acrylic acid | H | 4 || acrylic acid-C | acrylic acid | C | 3 || propylene (propene)-H | propylene (propene) | H | 6 || propyne-C | propyne | C | 3 || acrylic acid-O | acrylic acid | O | 2 || propyne-H | propyne | H | 4 || cyclopropene-C | cyclopropene | C | 3 || cyclopropene-H | cyclopropene | H | 4 || allene-C | allene | C | 3 || allene-H | allene | H | 4 || dimethyl sulfoxide-C | dimethyl sulfoxide | C | 2 || ethylamine-H | ethylamine | H | 7 || ethylamine-C | ethylamine | C | 2 || ethylamine-N | ethylamine | N | 1 || s-triazine (1,3,5)-H | s-triazine (1,3,5) | H | 3 || s-triazine (1,3,5)-C | s-triazine (1,3,5) | C | 3 || s-triazine (1,3,5)-N | s-triazine (1,3,5) | N | 3 || dimethyl sulfoxide-H | dimethyl sulfoxide | H | 6 || dimethyl sulfoxide-O | dimethyl sulfoxide | O | 1 || nitroethane-H | nitroethane | H | 5 || nitroethane-C | nitroethane | C | 2 || nitroethane-NO2 | nitroethane | NO2 | 1 || ethanol-O | ethanol | O | 1 || ethanol-H | ethanol | H | 6 || ethanol-C | ethanol | C | 2 || dimethyl ether (methyl ether)-O | dimethyl ether (methyl ether) | O | 1 || dimethyl ether (methyl ether)-H | dimethyl ether (methyl ether) | H | 6 || dimethyl ether (methyl ether)-C | dimethyl ether (methyl ether) | C | 2 || dimethyl sulfoxide-S | dimethyl sulfoxide | S | 1 || acetamide-N | acetamide | N | 1 || methyl formate-C | methyl formate | C | 2 || acetamide-O | acetamide | O | 1 || acetamide-H | acetamide | H | 5 || acetamide-C | acetamide | C | 2 || methyl formate-H | methyl formate | H | 4 || acetic acid-C | acetic acid | C | 2 || acetaldehyde-O | acetaldehyde | O | 1 || acetaldehyde-H | acetaldehyde | H | 4 || acetaldehyde-C | acetaldehyde | C | 2 || acetic acid-O | acetic acid | O | 2 || acetic acid-H | acetic acid | H | 4 || 1,1-dichloroethane-H | 1,1-dichloroethane | H | 4 || 1,1-dichloroethane-C | 1,1-dichloroethane | C | 2 || 1,1-dichloroethane-CL | 1,1-dichloroethane | CL | 2 || acetonitrile-N | acetonitrile | N | 1 || acetonitrile-C | acetonitrile | C | 2 || ketene-O | ketene | O | 1 || ketene-H | ketene | H | 2 || ketene-C | ketene | C | 2 || acetyl chloride-O | acetyl chloride | O | 1 || acetyl chloride-CL | acetyl chloride | CL | 1 || acetyl chloride-H | acetyl chloride | H | 3 || acetyl chloride-C | acetyl chloride | C | 2 || acetonitrile-H | acetonitrile | H | 3 || nitroglycerine (vapor)-NO2 | nitroglycerine (vapor) | NO2 | 3 || methyl formate-O | methyl formate | O | 2 || nitroglycerine (vapor)-C | nitroglycerine (vapor) | C | 3 || nitroglycerine (vapor)-H | nitroglycerine (vapor) | H | 5 || methyl hydrazine-C | methyl hydrazine | C | 1 || methyl hydrazine-N | methyl hydrazine | N | 2 || nitroglycerine (vapor)-O | nitroglycerine (vapor) | O | 3 || methyl hydroperoxide-H | methyl hydroperoxide | H | 4 || methyl hydroperoxide-C | methyl hydroperoxide | C | 1 || methyl hydrazine-H | methyl hydrazine | H | 6 || methyl hydroperoxide-O | methyl hydroperoxide | O | 2 || urea-N | urea | N | 2 || urea-C | urea | C | 1 || methane-H | methane | H | 4 || nitromethane-NO2 | nitromethane | NO2 | 1 || nitromethane-C | nitromethane | C | 1 || nitromethane-H | nitromethane | H | 3 || methyl nitrite-N | methyl nitrite | N | 1 || methane-C | methane | C | 1 || urea-O | urea | O | 1 || urea-H | urea | H | 4 || methyl nitrite-C | methyl nitrite | C | 1 || methyl nitrite-H | methyl nitrite | H | 3 || methyl nitrite-O | methyl nitrite | O | 2 || formic acid-C | formic acid | C | 1 || formic acid-H | formic acid | H | 2 || formic acid-O | formic acid | O | 2 || fluoroform-H | fluoroform | H | 1 || fluoroform-C | fluoroform | C | 1 || diazomethane-H | diazomethane | H | 2 || diazomethane-C | diazomethane | C | 1 || diazomethane-N | diazomethane | N | 2 || chloroform-H | chloroform | H | 1 || chloroform-CL | chloroform | CL | 3 || carbon tetrafluoride-C | carbon tetrafluoride | C | 1 || carbon tetrafluoride-F | carbon tetrafluoride | F | 4 || carbon tetrachloride-C | carbon tetrachloride | C | 1 || carbon tetrachloride-CL | carbon tetrachloride | CL | 4 || dichlorodifluoromethane-CL | dichlorodifluoromethane | CL | 2 || dichlorodifluoromethane-F | dichlorodifluoromethane | F | 2 || dichlorodifluoromethane-C | dichlorodifluoromethane | C | 1 || fluoroform-F | fluoroform | F | 3 || chloroform-C | chloroform | C | 1 || carbon tetrabromide-C | carbon tetrabromide | C | 1 || carbon tetrabromide-BR | carbon tetrabromide | BR | 4 || perchloric acid-H | perchloric acid | H | 1 || perchloric acid-CL | perchloric acid | CL | 1 || perchloric acid-O | perchloric acid | O | 4 || carbonyl difluoride-F | carbonyl difluoride | F | 2 || carbonyl difluoride-C | carbonyl difluoride | C | 1 || isocyanic acid-O | isocyanic acid | O | 1 || isocyanic acid-H | isocyanic acid | H | 1 || isocyanic acid-C | isocyanic acid | C | 1 || isocyanic acid-N | isocyanic acid | N | 1 || cyanic acid-O | cyanic acid | O | 1 || cyanic acid-H | cyanic acid | H | 1 || cyanic acid-C | cyanic acid | C | 1 || cyanic acid-N | cyanic acid | N | 1 || trans-difluorodiazine-F | trans-difluorodiazine | F | 2 || trans-difluorodiazine-N | trans-difluorodiazine | N | 2 || cis-difluorodiazine-F | cis-difluorodiazine | F | 2 || cis-difluorodiazine-N | cis-difluorodiazine | N | 2 || bromine pentafluoride-F | bromine pentafluoride | F | 5 || bromine pentafluoride-BR | bromine pentafluoride | BR | 1 || chlorine pentafluoride-CL | chlorine pentafluoride | CL | 1 || chlorine pentafluoride-F | chlorine pentafluoride | F | 5 || carbonyl difluoride-O | carbonyl difluoride | O | 1 || nitryl fluoride-F | nitryl fluoride | F | 1 || nitryl fluoride-NO2 | nitryl fluoride | NO2 | 1 || disulfur difluoride-S | disulfur difluoride | S | 2 || disulfur difluoride-F | disulfur difluoride | F | 2 || nitrous acid, trans-O | nitrous acid, trans | O | 2 || nitrous acid, trans-H | nitrous acid, trans | H | 1 || nitrous acid, trans-N | nitrous acid, trans | N | 1 || ammonia-H | ammonia | H | 3 || ammonia-N | ammonia | N | 1 || carbonyl dichloride-O | carbonyl dichloride | O | 1 || carbonyl dichloride-CL | carbonyl dichloride | CL | 2 || carbonyl dichloride-C | carbonyl dichloride | C | 1 || nitryl chloride-NO2 | nitryl chloride | NO2 | 1 || bromine trifluoride-BR | bromine trifluoride | BR | 1 || chlorine trifluoride-CL | chlorine trifluoride | CL | 1 || chlorine trifluoride-F | chlorine trifluoride | F | 3 || nitryl chloride-CL | nitryl chloride | CL | 1 || carbonyl dibromide-C | carbonyl dibromide | C | 1 || carbonyl dibromide-BR | carbonyl dibromide | BR | 2 || carbonyl dibromide-O | carbonyl dibromide | O | 1 || hydrogen cyanide-N | hydrogen cyanide | N | 1 || cyanogen bromide-BR | cyanogen bromide | BR | 1 || cyanogen bromide-N | cyanogen bromide | N | 1 || cyanogen chloride-CL | cyanogen chloride | CL | 1 || cyanogen chloride-C | cyanogen chloride | C | 1 || cyanogen chloride-N | cyanogen chloride | N | 1 || cyanogen fluoride-F | cyanogen fluoride | F | 1 || cyanogen fluoride-C | cyanogen fluoride | C | 1 || cyanogen fluoride-N | cyanogen fluoride | N | 1 || hydrogen cyanide-H | hydrogen cyanide | H | 1 || hydrogen cyanide-C | hydrogen cyanide | C | 1 || nitrosyl bromide-O | nitrosyl bromide | O | 1 || nitrosyl bromide-BR | nitrosyl bromide | BR | 1 || nitrosyl bromide-N | nitrosyl bromide | N | 1 || nitrosyl chloride-O | nitrosyl chloride | O | 1 || nitrosyl chloride-CL | nitrosyl chloride | CL | 1 || nitrosyl chloride-N | nitrosyl chloride | N | 1 || nitrosyl fluoride-O | nitrosyl fluoride | O | 1 || nitrosyl fluoride-F | nitrosyl fluoride | F | 1 || nitrosyl fluoride-N | nitrosyl fluoride | N | 1 || nitrogen dioxide-O | nitrogen dioxide | O | 2 || n-butylcyclopentane-C | n-butylcyclopentane | C | 9 || n-butylcyclopentane-H | n-butylcyclopentane | H | 18 || 3,3-diethylpentane-C | 3,3-diethylpentane | C | 9 || 3,3-diethylpentane-H | 3,3-diethylpentane | H | 20 || bromine trifluoride-F | bromine trifluoride | F | 3 || cyanogen bromide-C | cyanogen bromide | C | 1 || n-butylbenzene-C | n-butylbenzene | C | 10 || n-butylbenzene-H | n-butylbenzene | H | 14 || decahydronaphthalene,cis-C | decahydronaphthalene,cis | C | 10 || decahydronaphthalene,cis-H | decahydronaphthalene,cis | H | 18 || decahydronaphthalene,trans-C | decahydronaphthalene,trans | C | 10 || decahydronaphthalene,trans-H | decahydronaphthalene,trans | H | 18 || biphenyl-C | biphenyl | C | 12 || biphenyl-H | biphenyl | H | 10 || diphenylsulfoxide-C | diphenylsulfoxide | C | 12 || diphenylsulfoxide-H | diphenylsulfoxide | H | 10 || diphenylsulfoxide-O | diphenylsulfoxide | O | 1 || diphenylsulfoxide-S | diphenylsulfoxide | S | 1 || diphenylsulfone-SO2 | diphenylsulfone | SO2 | 1 || diphenylsulfone-H | diphenylsulfone | H | 10 || diphenylamine-N | diphenylamine | N | 1 || diphenylamine-C | diphenylamine | C | 12 || diphenylamine-H | diphenylamine | H | 11 || 1-ethyl naphthalene-C | 1-ethyl naphthalene | C | 12 || 1-ethyl naphthalene-H | 1-ethyl naphthalene | H | 12 || 2-ethyl naphthalene-C | 2-ethyl naphthalene | C | 12 || 2-ethyl naphthalene-H | 2-ethyl naphthalene | H | 12 || hypobromous acid-BR | hypobromous acid | BR | 1 || hypobromous acid-O | hypobromous acid | O | 1 || nitric oxide-N | nitric oxide | N | 1 || carbon monoxide-O | carbon monoxide | O | 1 || carbon monoxide-C | carbon monoxide | C | 1 || phenyl ether-C | phenyl ether | C | 12 || phenyl ether-H | phenyl ether | H | 10 || phenyl ether-O | phenyl ether | O | 1 || hypobromous acid-H | hypobromous acid | H | 1 || iodine monofluoride-F | iodine monofluoride | F | 1 || hydrogen iodide-I | hydrogen iodide | I | 1 || hydrogen iodide-H | hydrogen iodide | H | 1 || nitric oxide-O | nitric oxide | O | 1 || iodine monofluoride-I | iodine monofluoride | I | 1 || chlorine monofluoride-F | chlorine monofluoride | F | 1 || hydrogen fluoride-F | hydrogen fluoride | F | 1 || hydrogen fluoride-H | hydrogen fluoride | H | 1 || diphenylsulfone-C | diphenylsulfone | C | 12 || nitrogen dioxide-N | nitrogen dioxide | N | 1 || chlorine monofluoride-CL | chlorine monofluoride | CL | 1 || hydrogen chloride-H | hydrogen chloride | H | 1 || hydrogen bromide-H | hydrogen bromide | H | 1 || hydrogen bromide-BR | hydrogen bromide | BR | 1 || hydrogen chloride-CL | hydrogen chloride | CL | 1 || carbon (graphite)-C | carbon (graphite) | C | 1 || bromine monofluoride-F | bromine monofluoride | F | 1 || bromine monofluoride-BR | bromine monofluoride | BR | 1 || fo(.) radical-F | fo(.) radical | F | 1 || fo(.) radical-O | fo(.) radical | O | 1 || trichloro-C | trichloro | C | 1 || hydrogene atome-H | hydrogene atome | H | 1 || hydroxy-O | hydroxy | O | 1 || hydroxy-H | hydroxy | H | 1 || amino-H | amino | H | 2 || amino-N | amino | N | 1 || methyle-H | methyle | H | 3 || methyle-C | methyle | C | 1 || oxygene atome-O | oxygene atome | O | 1 || nf2 radical-F | nf2 radical | F | 2 || nf2 radical-N | nf2 radical | N | 1 || trifluoro-F | trifluoro | F | 3 || trifluoro-C | trifluoro | C | 1 || trichloro-CL | trichloro | CL | 3 || iodine heptafluoride-I | iodine heptafluoride | I | 1 || sulfur hexafluoride-F | sulfur hexafluoride | F | 6 || phosphorus pentafluoride-F | phosphorus pentafluoride | F | 5 || iodine pentafluoride-F | iodine pentafluoride | F | 5 || difluorodiamine-N | difluorodiamine | N | 1 || difluorodiamine-H | difluorodiamine | H | 1 || difluorodiamine-F | difluorodiamine | F | 2 || cyanogen-N | cyanogen | N | 2 || cyanogen-C | cyanogen | C | 2 || acetylene (ethyne)-C | acetylene (ethyne) | C | 2 || acetylene (ethyne)-H | acetylene (ethyne) | H | 2 || difluoroacetylene-C | difluoroacetylene | C | 1 || difluoroacetylene-F | difluoroacetylene | F | 2 || formyl fluoride-C | formyl fluoride | C | 1 || formyl fluoride-H | formyl fluoride | H | 1 || formyl fluoride-F | formyl fluoride | F | 1 || formyl fluoride-O | formyl fluoride | O | 1 || hydrogren peroxide (GAZ)-H | hydrogren peroxide (GAZ) | H | 2 || hydrogren peroxide (GAZ)-O | hydrogren peroxide (GAZ) | O | 2 || disulfur dichloride-S | disulfur dichloride | S | 2 || carbon oxide sulfide-C | carbon oxide sulfide | C | 1 || carbon oxide sulfide-O | carbon oxide sulfide | O | 1 || carbon oxide sulfide-S | carbon oxide sulfide | S | 1 || carbon dioxide-C | carbon dioxide | C | 1 || carbon dioxide-O | carbon dioxide | O | 2 || dinitrogen monoxide-N | dinitrogen monoxide | N | 1 || dinitrogen monoxide-O | dinitrogen monoxide | O | 2 || hydrogen sulfide-H | hydrogen sulfide | H | 2 || hydrogen sulfide-S | hydrogen sulfide | S | 1 || water-H | water | H | 2 || water-O | water | O | 1 || sulfur difluoride-F | sulfur difluoride | F | 2 || sulfur difluoride-S | sulfur difluoride | S | 1 || difluorine monoxide-F | difluorine monoxide | F | 2 || difluorine monoxide-O | difluorine monoxide | O | 1 || hypofluorous acid-H | hypofluorous acid | H | 1 || hypofluorous acid-F | hypofluorous acid | F | 1 || iodine pentafluoride-I | iodine pentafluoride | I | 1 || hypofluorous acid-O | hypofluorous acid | O | 1 || sulfur dichloride-CL | sulfur dichloride | CL | 2 || sulfur dichloride-S | sulfur dichloride | S | 1 || dichlorine monoxide-O | dichlorine monoxide | O | 1 || dichlorine monoxide-CL | dichlorine monoxide | CL | 2 || hypochlorous acid-H | hypochlorous acid | H | 1 || hypochlorous acid-O | hypochlorous acid | O | 1 || hypochlorous acid-CL | hypochlorous acid | CL | 1 || hydrogen-H | hydrogen | H | 2 || bromine-BR | bromine | BR | 2 || chlorine-CL | chlorine | CL | 2 || fluorine-F | fluorine | F | 2 || methanol-H | methanol | H | 4 || methanol-C | methanol | C | 1 || hexachloroethane-CL | hexachloroethane | CL | 6 || hexachloroethane-C | hexachloroethane | C | 2 || hexafluoroethane-F | hexafluoroethane | F | 6 || hexafluoroethane-C | hexafluoroethane | C | 2 || ethylene-H | ethylene | H | 4 || ethylene-C | ethylene | C | 2 || fluoroethane-F | fluoroethane | F | 1 || fluoroethane-H | fluoroethane | H | 5 || fluoroethane-C | fluoroethane | C | 2 || ethane-H | ethane | H | 6 || ethane-C | ethane | C | 2 || dimethyl sulfone-S | dimethyl sulfone | S | 1 || dimethyl sulfone-O | dimethyl sulfone | O | 2 || dimethyl sulfone-H | dimethyl sulfone | H | 6 || dimethyl sulfone-C | dimethyl sulfone | C | 2 || 4-methylthiazole-C | 4-methylthiazole | C | 1 || ch2//ch/ch(ch3)-C | ch2//ch/ch(ch3) | C | 4 || ch2//ch/c(ch3)2-C | ch2//ch/c(ch3)2 | C | 5 || ch2//c(ch3)/c(ch3)2-C | ch2//c(ch3)/c(ch3)2 | C | 6 || c(ch3)2//c(ch3)/ch2-C | c(ch3)2//c(ch3)/ch2 | C | 6 || 4-pentadien-3-yi-C | 4-pentadien-3-yi | C | 5 || ch///c/ch2(.)-C | ch///c/ch2(.) | C | 3 || ch3/c///c/ch2(.)-C | ch3/c///c/ch2(.) | C | 4 || ch3/c///c/ch(.)/ch3-C | ch3/c///c/ch(.)/ch3 | C | 5 || ch3/c///c/c(ch3)2(.)-C | ch3/c///c/c(ch3)2(.) | C | 6 || ch///c/c(ch3)2(.)-C | ch///c/c(ch3)2(.) | C | 5 || ch///ch(.)/ch3-C | ch///ch(.)/ch3 | C | 4 || ch3/ch2/ch//ch/ch2(.)-C | ch3/ch2/ch//ch/ch2(.) | C | 5 || ch3/ch//c(ch3)/ch2(.)-C | ch3/ch//c(ch3)/ch2(.) | C | 5 || ch3/ch//ch/c(.)(ch3)2-C | ch3/ch//ch/c(.)(ch3)2 | C | 6 || ch3/ch(.)/ch//c(ch3)2-C | ch3/ch(.)/ch//c(ch3)2 | C | 6 || ch3/ch//ch/ch(.)/ch3-C | ch3/ch//ch/ch(.)/ch3 | C | 5 || oh(.)-O | oh(.) | O | 1 || ch3/o(.)-O | ch3/o(.) | O | 1 || o/c2h5-O | o/c2h5 | O | 1 || o-n-c3h7-O | o-n-c3h7 | O | 1 || o-n-c4h9-O | o-n-c4h9 | O | 1 || o-i-c3h7-O | o-i-c3h7 | O | 1 || o-s-c4h9-O | o-s-c4h9 | O | 1 || o/c(ch3)3-O | o/c(ch3)3 | O | 1 || o/ch2/c(ch3)3-O | o/ch2/c(ch3)3 | O | 1 || o2h-O | o2h | O | 2 || co(ch3)/o(.)-O | co(ch3)/o(.) | O | 2 || thiophene ring-C/D | thiophene ring | C/D | 4 || co(c2h5)/o(.)-O | co(c2h5)/o(.) | O | 2 || thiophene ring-R | thiophene ring | R | 4 || co(n-c3h7)/o(.)-O | co(n-c3h7)/o(.) | O | 2 || cho-O | cho | O | 1 || 2-thiolene ring-C/D | 2-thiolene ring | C/D | 2 || thiophene ring-S | thiophene ring | S | 1 || ch2//ch/co(.)-O | ch2//ch/co(.) | O | 1 || 2-thiolene ring-C | 2-thiolene ring | C | 2 || 2-thiolene ring-R | 2-thiolene ring | R | 6 || cf3/co(.)-O | cf3/co(.) | O | 1 || 2-thiolene ring-S | 2-thiolene ring | S | 1 || ch3/co/ch2(.)-O | ch3/co/ch2(.) | O | 1 || 3-thiolene ring-C/D | 3-thiolene ring | C/D | 2 || ch3/co/ch(.)/ch3-O | ch3/co/ch(.)/ch3 | O | 1 || ch2(.)/oh-O | ch2(.)/oh | O | 1 || ch(oh)(.)/ch3-O | ch(oh)(.)/ch3 | O | 1 || c(.)(ch3)2(oh)-O | c(.)(ch3)2(oh) | O | 1 || c(.)(ch3)2(oh)-C | c(.)(ch3)2(oh) | C | 3 || ch3/o/ch2(.)-O | ch3/o/ch2(.) | O | 1 || 3-thiolene ring-R | 3-thiolene ring | R | 6 || ch2//ch/ch(.)(oh)-C | ch2//ch/ch(.)(oh) | C | 3 || ch2//ch/ch(.)(oh)-O | ch2//ch/ch(.)(oh) | O | 1 || co(.)/o/ch3-O | co(.)/o/ch3 | O | 2 || 3-thiolene ring-C | 3-thiolene ring | C | 2 || ch3/co/o/ch2(.)-O | ch3/co/o/ch2(.) | O | 2 || ch3/ch(.)/cho-O | ch3/ch(.)/cho | O | 1 || ch3/ch2/o/o(.)-O | ch3/ch2/o/o(.) | O | 2 || ch3/ch2/o/o(.)-C | ch3/ch2/o/o(.) | C | 2 || ch3/o/o(.)-O | ch3/o/o(.) | O | 2 || 3-thiolene ring-S | 3-thiolene ring | S | 1 || ch3/co/o/o(.)-O | ch3/co/o/o(.) | O | 3 || thiepane (thiacycloheptane) ring-R | thiepane (thiacycloheptane) ring | R | 12 || ch2//ch/ch(o/oh)/ch2/ch2(.)-C | ch2//ch/ch(o/oh)/ch2/ch2(.) | C | 5 || ch2//ch/ch(o/oh)/ch2/ch2(.)-O | ch2//ch/ch(o/oh)/ch2/ch2(.) | O | 2 || ch3/'si'h2(.)-C | ch3/'si'h2(.) | C | 1 || ch3/ch(.)/co/oh-O | ch3/ch(.)/co/oh | O | 2 || o/no2-O | o/no2 | O | 1 || ch2(.)/co/oh-O | ch2(.)/co/oh | O | 2 || sh(.)-S | sh(.) | S | 1 || ch3/s(.)-C | ch3/s(.) | C | 1 || nh2(.)-N | nh2(.) | N | 1 || ch3/nh(.)-N | ch3/nh(.) | N | 1 || n(ch3)2(.)-N | n(ch3)2(.) | N | 1 || nf2(.)-N | nf2(.) | N | 1 || nh2/ch2(.)-N | nh2/ch2(.) | N | 1 || ch3/nh/ch2(.)-N | ch3/nh/ch2(.) | N | 1 || n(ch3)2/ch2(.)-N | n(ch3)2/ch2(.) | N | 1 || cn(.)-N | cn(.) | N | 1 || cn/ch2(.)-N | cn/ch2(.) | N | 1 || cn/ch(ch3)(.)-N | cn/ch(ch3)(.) | N | 1 || cn/c(ch3)2(.)-N | cn/c(ch3)2(.) | N | 1 || ch2f(.)-C | ch2f(.) | C | 1 || chf2(.)-C | chf2(.) | C | 1 || cf3(.)-C | cf3(.) | C | 1 || ch2'cl'(.)-CL | ch2'cl'(.) | CL | 1 || ch'cl'2(.)-CL | ch'cl'2(.) | CL | 2 || c'cl'3(.)-CL | c'cl'3(.) | CL | 3 || cf2'cl'(.)-CL | cf2'cl'(.) | CL | 1 || cf2'cl'(.)-C | cf2'cl'(.) | C | 1 || ch2'br'(.)-C | ch2'br'(.) | C | 1 || ch'br'2(.)-C | ch'br'2(.) | C | 1 || c'br'3(.)-C | c'br'3(.) | C | 1 || ch2i(.)-I | ch2i(.) | I | 1 || chi2(.)-I | chi2(.) | I | 2 || cf3/cf2(.)-C | cf3/cf2(.) | C | 2 || cf3/cf2/ch2(.)-C | cf3/cf2/ch2(.) | C | 3 || ch3/cf2(.)-C | ch3/cf2(.) | C | 2 || cf3/ch2(.)-C | cf3/ch2(.) | C | 2 || c'cl'3/c'cl'2(.)-CL | c'cl'3/c'cl'2(.) | CL | 5 || c'cl'3/c'cl'2(.)-C | c'cl'3/c'cl'2(.) | C | 2 || ch'cl'2/c'cl'2(.)-CL | ch'cl'2/c'cl'2(.) | CL | 4 || ch'cl'2/c'cl'2(.)-C | ch'cl'2/c'cl'2(.) | C | 2 || i-c3f7-C | i-c3f7 | C | 3 || chcl(.)/cf3-CL | chcl(.)/cf3 | CL | 1 || chcl(.)/cf3-C | chcl(.)/cf3 | C | 2 || cclbr(.)/cf3-CL | cclbr(.)/cf3 | CL | 1 || cclbr(.)/cf3-C | cclbr(.)/cf3 | C | 2 || cclbr(.)/cf3-BR | cclbr(.)/cf3 | BR | 1 || clo(.)-CL | clo(.) | CL | 1 || clo2(.)-CL | clo2(.) | CL | 1 || 'si'h3(.)-SI | 'si'h3(.) | SI | 1 || 'si'h(.)(ch3)2-SI | 'si'h(.)(ch3)2 | SI | 1 || 'si'h(.)(ch3)2-C | 'si'h(.)(ch3)2 | C | 2 || 'si'(.)(ch3)3-SI | 'si'(.)(ch3)3 | SI | 1 || thiolane ring-S | thiolane ring | S | 1 || thiolane ring-C | thiolane ring | C | 4 || thiolane ring-R | thiolane ring | R | 8 || thiane (thiacyclohexane) ring-S | thiane (thiacyclohexane) ring | S | 1 || thiane (thiacyclohexane) ring-C | thiane (thiacyclohexane) ring | C | 5 || thiane (thiacyclohexane) ring-R | thiane (thiacyclohexane) ring | R | 10 || thietane ring-R | thietane ring | R | 6 || ethylene sulfide ring-R | ethylene sulfide ring | R | 4 || ethylene sulfide ring-C | ethylene sulfide ring | C | 2 || piperazine ring-N | piperazine ring | N | 2 || ethylene sulfide ring-S | ethylene sulfide ring | S | 1 || pyrrolidine ring-R | pyrrolidine ring | R | 9 || pyrrolidine ring-N | pyrrolidine ring | N | 1 || piperidine ring-C | piperidine ring | C | 5 || pyrrolidine ring-C | pyrrolidine ring | C | 4 || azetidine ring-C | azetidine ring | C | 3 || azetidine ring-R | azetidine ring | R | 7 || azetidine ring-N | azetidine ring | N | 1 || cyclododecanone ring-C | cyclododecanone ring | C | 11 || cyclodecanone ring-C | cyclodecanone ring | C | 9 || cyclodecanone ring-R | cyclodecanone ring | R | 18 || cycloundecanone ring-CO | cycloundecanone ring | CO | 1 || cycloundecanone ring-C | cycloundecanone ring | C | 10 || cycloundecanone ring-R | cycloundecanone ring | R | 20 || cyclododecanone ring-CO | cyclododecanone ring | CO | 1 || cyclodecanone ring-CO | cyclodecanone ring | CO | 1 || cyclononanone ring-R | cyclononanone ring | R | 16 || cyclononanone ring-C | cyclononanone ring | C | 8 || cyclononanone ring-CO | cyclononanone ring | CO | 1 || cyclooctanone ring-R | cyclooctanone ring | R | 14 || cyclooctanone ring-C | cyclooctanone ring | C | 7 || cyclooctanone ring-CO | cyclooctanone ring | CO | 1 || cycloheptanone ring-R | cycloheptanone ring | R | 12 || cyclobutanone ring-R | cyclobutanone ring | R | 6 || cycloheptanone ring-CO | cycloheptanone ring | CO | 1 || cycloheptanone ring-C | cycloheptanone ring | C | 6 || cyclobutanone ring-CO | cyclobutanone ring | CO | 1 || dioxolane ring-C | dioxolane ring | C | 3 || dioxolane ring-R | dioxolane ring | R | 6 || dioxolane ring-O | dioxolane ring | O | 2 || maleic anhydride ring-C/D | maleic anhydride ring | C/D | 2 || maleic anhydride ring-CO | maleic anhydride ring | CO | 2 || maleic anhydride ring-R | maleic anhydride ring | R | 2 || maleic anhydride ring-O | maleic anhydride ring | O | 1 || glutaric anhydride ring-O | glutaric anhydride ring | O | 1 || glutaric anhydride ring-R | glutaric anhydride ring | R | 6 || glutaric anhydride ring-C | glutaric anhydride ring | C | 3 || succinic anhydride ring-C | succinic anhydride ring | C | 2 || succinic anhydride ring-R | succinic anhydride ring | R | 4 || succinic anhydride ring-O | succinic anhydride ring | O | 1 || glutaric anhydride ring-CO | glutaric anhydride ring | CO | 2 || dihydropyran ring-O | dihydropyran ring | O | 1 || furan ring-C/D | furan ring | C/D | 4 || furan ring-O | furan ring | O | 1 || 1,3,5-trioxane ring-R | 1,3,5-trioxane ring | R | 6 || 1,3,5-trioxane ring-C | 1,3,5-trioxane ring | C | 3 || 1,4-dioxane ring-R | 1,4-dioxane ring | R | 8 || 1,4-dioxane ring-C | 1,4-dioxane ring | C | 4 || 1,3-dioxane ring-O | 1,3-dioxane ring | O | 2 || 1,3-dioxane ring-C | 1,3-dioxane ring | C | 4 || tetrahydropyran ring-O | tetrahydropyran ring | O | 1 || tetrahydrofuran ring-O | tetrahydrofuran ring | O | 1 || tetrahydrofuran ring-R | tetrahydrofuran ring | R | 8 || propylene oxide ring-R | propylene oxide ring | R | 6 || ethylene oxide ring-O | ethylene oxide ring | O | 1 || propylene oxide ring-C | propylene oxide ring | C | 3 || ethylene oxide ring-R | ethylene oxide ring | R | 4 || trans-cyclononene ring-C | trans-cyclononene ring | C | 7 || trans-cyclononene ring-R | trans-cyclononene ring | R | 16 || trans-cyclononene ring-C/D | trans-cyclononene ring | C/D | 2 || cyclodecane ring-C | cyclodecane ring | C | 10 || cyclodecane ring-R | cyclodecane ring | R | 20 || cyclododecane ring-C | cyclododecane ring | C | 12 || cyclododecane ring-R | cyclododecane ring | R | 24 || ethylene oxide ring-C | ethylene oxide ring | C | 2 || trans-cyclooctene ring-R | trans-cyclooctene ring | R | 14 || trans-cyclooctene ring-C/D | trans-cyclooctene ring | C/D | 2 || trans-cyclooctene ring-C | trans-cyclooctene ring | C | 6 || cycloheptatriene 1,3,5 ring-C | cycloheptatriene 1,3,5 ring | C | 1 || cycloheptadiene 1,3 ring-R | cycloheptadiene 1,3 ring | R | 10 || cycloheptadiene 1,3 ring-C/D | cycloheptadiene 1,3 ring | C/D | 4 || cycloheptadiene 1,3 ring-C | cycloheptadiene 1,3 ring | C | 3 || cyclohexadiene 1,4 ring-C | cyclohexadiene 1,4 ring | C | 2 || cyclohexadiene 1,4 ring-R | cyclohexadiene 1,4 ring | R | 8 || cyclohexadiene 1,4 ring-C/D | cyclohexadiene 1,4 ring | C/D | 4 || cyclohexene ring-C/D | cyclohexene ring | C/D | 2 || cyclohexene ring-R | cyclohexene ring | R | 10 || cyclohexene ring-C | cyclohexene ring | C | 4 || cyclohexane ring-C | cyclohexane ring | C | 6 || cyclopentane ring-R | cyclopentane ring | R | 10 || cyclopentene ring-C | cyclopentene ring | C | 3 || cyclopentene ring-R | cyclopentene ring | R | 8 || cyclopentene ring-C/D | cyclopentene ring | C/D | 2 || cyclopentadiene ring-C | cyclopentadiene ring | C | 1 || o/c2h5-C | o/c2h5 | C | 2 || dihydrofuran ring-C/D | dihydrofuran ring | C/D | 2 || dihydrofuran ring-O | dihydrofuran ring | O | 1 || ch3/o(.)-C | ch3/o(.) | C | 1 || thiepane (thiacycloheptane) ring-S | thiepane (thiacycloheptane) ring | S | 1 || thiepane (thiacycloheptane) ring-C | thiepane (thiacycloheptane) ring | C | 6 || thietane ring-C | thietane ring | C | 3 || thietane ring-S | thietane ring | S | 1 || o-n-c3h7-C | o-n-c3h7 | C | 3 || o-n-c4h9-C | o-n-c4h9 | C | 4 || o-i-c3h7-C | o-i-c3h7 | C | 3 || o-s-c4h9-C | o-s-c4h9 | C | 4 || o/c(ch3)3-C | o/c(ch3)3 | C | 4 || o/ch2/c(ch3)3-C | o/ch2/c(ch3)3 | C | 5 || co(ch3)/o(.)-C | co(ch3)/o(.) | C | 2 || co(c2h5)/o(.)-C | co(c2h5)/o(.) | C | 3 || co(n-c3h7)/o(.)-C | co(n-c3h7)/o(.) | C | 4 || cho-C | cho | C | 1 || ch2//ch/co(.)-C | ch2//ch/co(.) | C | 3 || cf3/co(.)-F | cf3/co(.) | F | 3 || ch3/co/ch2(.)-C | ch3/co/ch2(.) | C | 3 || ch2(.)/oh-C | ch2(.)/oh | C | 1 || ch(oh)(.)/ch3-C | ch(oh)(.)/ch3 | C | 2 || ch3/o/ch2(.)-C | ch3/o/ch2(.) | C | 2 || co(.)/o/ch3-C | co(.)/o/ch3 | C | 2 || ch3/co/o/ch2(.)-C | ch3/co/o/ch2(.) | C | 3 || ch3/ch(.)/cho-C | ch3/ch(.)/cho | C | 3 || ch3/o/o(.)-C | ch3/o/o(.) | C | 1 || ch3/co/o/o(.)-C | ch3/co/o/o(.) | C | 2 || co(.)/oh-O | co(.)/oh | O | 2 || ch3/ch(.)/co/oh-C | ch3/ch(.)/co/oh | C | 3 || ch2(.)/co/oh-C | ch2(.)/co/oh | C | 2 || ch2'cl'(.)-C | ch2'cl'(.) | C | 1 || ch'cl'2(.)-C | ch'cl'2(.) | C | 1 || c'cl'3(.)-C | c'cl'3(.) | C | 1 || cf2'cl'(.)-F | cf2'cl'(.) | F | 2 || c'br'3(.)-BR | c'br'3(.) | BR | 3 || ch2i(.)-C | ch2i(.) | C | 1 || chi2(.)-C | chi2(.) | C | 1 || chcl(.)/cf3-F | chcl(.)/cf3 | F | 3 || ch3/ch(/oh)/o/o(.)-C | ch3/ch(/oh)/o/o(.) | C | 2 || clo(.)-O | clo(.) | O | 1 || clo2(.)-O | clo2(.) | O | 2 || ch3/'si'h2(.)-SI | ch3/'si'h2(.) | SI | 1 || 'si'(.)(ch3)3-C | 'si'(.)(ch3)3 | C | 3 || piperazine ring-R | piperazine ring | R | 10 || piperazine ring-C | piperazine ring | C | 4 || succinimide ring-CO | succinimide ring | CO | 2 || succinimide ring-C | succinimide ring | C | 2 || succinimide ring-R | succinimide ring | R | 5 || succinimide ring-N | succinimide ring | N | 1 || piperidine ring-N | piperidine ring | N | 1 || piperidine ring-R | piperidine ring | R | 11 || ethyleneimine ring-N | ethyleneimine ring | N | 1 || beta-propiolactone ring-R | beta-propiolactone ring | R | 4 || beta-propiolactone ring-O | beta-propiolactone ring | O | 1 || malonic anhydride ring-CO | malonic anhydride ring | CO | 2 || malonic anhydride ring-C | malonic anhydride ring | C | 1 || malonic anhydride ring-R | malonic anhydride ring | R | 2 || malonic anhydride ring-O | malonic anhydride ring | O | 1 || ethyleneimine ring-C | ethyleneimine ring | C | 2 || ethyleneimine ring-R | ethyleneimine ring | R | 5 || beta-propiolactone ring-C | beta-propiolactone ring | C | 2 || cyclododecanone ring-R | cyclododecanone ring | R | 22 || cyclopentadecanone ring-CO | cyclopentadecanone ring | CO | 1 || cyclopentadecanone ring-C | cyclopentadecanone ring | C | 14 || cyclopentadecanone ring-R | cyclopentadecanone ring | R | 28 || cycloheptadecanone ring-CO | cycloheptadecanone ring | CO | 1 || cycloheptadecanone ring-C | cycloheptadecanone ring | C | 16 || cycloheptadecanone ring-R | cycloheptadecanone ring | R | 32 || beta-propiolactone ring-CO | beta-propiolactone ring | CO | 1 || cyclobutanone ring-C | cyclobutanone ring | C | 3 || dihydrofuran ring-R | dihydrofuran ring | R | 6 || dihydrofuran ring-C | dihydrofuran ring | C | 2 || cyclopentanone ring-C | cyclopentanone ring | C | 4 || cyclopentanone ring-R | cyclopentanone ring | R | 8 || cyclohexanone ring-CO | cyclohexanone ring | CO | 1 || cyclohexanone ring-C | cyclohexanone ring | C | 5 || cyclohexanone ring-R | cyclohexanone ring | R | 10 || succinic anhydride ring-CO | succinic anhydride ring | CO | 2 || cyclopentanone ring-CO | cyclopentanone ring | CO | 1 || dihydropyran ring-C/D | dihydropyran ring | C/D | 2 || dihydropyran ring-C | dihydropyran ring | C | 3 || dihydropyran ring-R | dihydropyran ring | R | 8 || 1,3,5-trioxane ring-O | 1,3,5-trioxane ring | O | 3 || furan ring-R | furan ring | R | 4 || 1,4-dioxane ring-O | 1,4-dioxane ring | O | 2 || 1,3-dioxane ring-R | 1,3-dioxane ring | R | 8 || tetrahydropyran ring-C | tetrahydropyran ring | C | 5 || tetrahydropyran ring-R | tetrahydropyran ring | R | 10 || propylene oxide ring-O | propylene oxide ring | O | 1 || tetrahydrofuran ring-C | tetrahydrofuran ring | C | 4 || cyclooctatetraene ring-R | cyclooctatetraene ring | R | 8 || cyclooctatetraene ring-C/D | cyclooctatetraene ring | C/D | 8 || cyclononane ring-C | cyclononane ring | C | 9 || cyclononane ring-R | cyclononane ring | R | 18 || cyclooctatriene 1,3,5 ring-C/D | cyclooctatriene 1,3,5 ring | C/D | 6 || cyclooctatriene 1,3,5 ring-R | cyclooctatriene 1,3,5 ring | R | 10 || cyclooctatriene 1,3,5 ring-C | cyclooctatriene 1,3,5 ring | C | 2 || cycloheptatriene 1,3,5 ring-R | cycloheptatriene 1,3,5 ring | R | 8 || cycloheptatriene 1,3,5 ring-C/D | cycloheptatriene 1,3,5 ring | C/D | 6 || cyclooctane ring-C | cyclooctane ring | C | 8 || cyclooctane ring-R | cyclooctane ring | R | 16 || cycloheptene ring-R | cycloheptene ring | R | 12 || cycloheptene ring-C/D | cycloheptene ring | C/D | 2 || cycloheptane ring-R | cycloheptane ring | R | 14 || cycloheptene ring-C | cycloheptene ring | C | 5 || cycloheptane ring-C | cycloheptane ring | C | 7 || cyclohexadiene 1,3 ring-C/D | cyclohexadiene 1,3 ring | C/D | 2 || cyclohexadiene 1,3 ring-C | cyclohexadiene 1,3 ring | C | 4 || cyclohexadiene 1,3 ring-R | cyclohexadiene 1,3 ring | R | 10 || cyclohexane ring-R | cyclohexane ring | R | 12 || cyclopentadiene ring-C/D | cyclopentadiene ring | C/D | 4 || cyclopentadiene ring-R | cyclopentadiene ring | R | 5 || cyclobutene ring-C/D | cyclobutene ring | C/D | 2 || cyclopentane ring-C | cyclopentane ring | C | 5 || cyclobutene ring-R | cyclobutene ring | R | 6 || cyclobutene ring-C | cyclobutene ring | C | 2 || cyclobutane ring-R | cyclobutane ring | R | 8 || GeneralSingleBond-DU | GeneralSingleBond | DU | 2 || cyclopropane ring-R | cyclopropane ring | R | 6 || cyclopropane ring-C | cyclopropane ring | C | 3 || cyclopropene ring-R | cyclopropene ring | R | 6 || cyclopropene ring-C | cyclopropene ring | C | 1 || cyclopropene ring-C/D | cyclopropene ring | C/D | 2 || cyclobutane ring-C | cyclobutane ring | C | 4 || GeneralMethylConnection-X | GeneralMethylConnection | X | 1 || GeneralMethylConnection-DU | GeneralMethylConnection | DU | 3 || GeneralMethylConnection-C | GeneralMethylConnection | C | 1 || r C tertiaire-C | r C tertiaire | C | 5 || r C quaternaire-C | r C quaternaire | C | 6 || r C quaternaire/C quaternaire-C | r C quaternaire/C quaternaire | C | 8 || r C quaternaire/C tertiaire-C | r C quaternaire/C tertiaire | C | 7 || 3-pentadien-5-yi-C | 3-pentadien-5-yi | C | 5 || ch3/ch(.)/c(/ch3)//ch2-C | ch3/ch(.)/c(/ch3)//ch2 | C | 5 || ch3/co(.)-C | ch3/co(.) | C | 2 || co(.)/c2h5-O | co(.)/c2h5 | O | 1 || cf3/co(.)-C | cf3/co(.) | C | 2 || ch3/ch(/oh)/o/o(.)-O | ch3/ch(/oh)/o/o(.) | O | 3 || ch3/s(.)-S | ch3/s(.) | S | 1 || ch3/nh(.)-C | ch3/nh(.) | C | 1 || n(ch3)2(.)-C | n(ch3)2(.) | C | 2 || nf2(.)-F | nf2(.) | F | 2 || nh2/ch2(.)-C | nh2/ch2(.) | C | 1 || ch3/nh/ch2(.)-C | ch3/nh/ch2(.) | C | 2 || n(ch3)2/ch2(.)-C | n(ch3)2/ch2(.) | C | 3 || cn(.)-C | cn(.) | C | 1 || cn/ch2(.)-C | cn/ch2(.) | C | 2 || cn/ch(ch3)(.)-C | cn/ch(ch3)(.) | C | 3 || cn/c(ch3)2(.)-C | cn/c(ch3)2(.) | C | 4 || o/no2-NO2 | o/no2 | NO2 | 1 || ch2f(.)-F | ch2f(.) | F | 1 || chf2(.)-F | chf2(.) | F | 2 || cf3(.)-F | cf3(.) | F | 3 || ch2'br'(.)-BR | ch2'br'(.) | BR | 1 || ch'br'2(.)-BR | ch'br'2(.) | BR | 2 || cf3/cf2(.)-F | cf3/cf2(.) | F | 5 || cf3/cf2/ch2(.)-F | cf3/cf2/ch2(.) | F | 7 || ch3/cf2(.)-F | ch3/cf2(.) | F | 2 || cf3/ch2(.)-F | cf3/ch2(.) | F | 3 || i-c3f7-F | i-c3f7 | F | 7 || cclbr(.)/cf3-F | cclbr(.)/cf3 | F | 3 || ch3/co(.)-O | ch3/co(.) | O | 1 || co(.)/c2h5-C | co(.)/c2h5 | C | 3 || ch3/co/ch(.)/ch3-C | ch3/co/ch(.)/ch3 | C | 4 || co(.)/oh-C | co(.)/oh | C | 1 |+------------------------------------+----------------------------------+------------+-----------+984 rows in set (0.00 sec)
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