RelNo | Symbol | Name | References
|
| 1 | nCp | number of total primary C(sp3) | |
| 2 | nCs | number of total secondary C(sp3) | |
| 3 | nCt | number of total tertiary C(sp3) | |
| 4 | nCq | number of total quaternary C(sp3) | |
| 5 | nCrH2 | number of ring secondary C(sp3) | |
| 6 | nCrHR | number of ring tertiary C(sp3) | |
| 7 | nCrR2 | number of ring quaternary C(sp3) | |
| 8 | nCaH | number of unsubstituted aromatic C(sp2) | |
| 9 | nCaR | number of substituted aromatic C(sp2) | |
| 10 | nCconjR | number of exo-conjugated C(sp2) | |
| 11 | n=CH2 | number of primary C(sp2) | |
| 12 | n=CHR | number of secondary C(sp2) | |
| 13 | n=CR2 | number of tertiary C(sp2) | |
| 14 | n=C= | number of allenes groups | |
| 15 | n#CH | number of terminal C(sp) | |
| 16 | n#CR | number of non-terminal C(sp) | |
| 17 | nOCN | number of cianates (aliphatic) | |
| 18 | nOCNPh | number of cianates (aromatic) | |
| 19 | nNCO | number of isocianates (aliphatic) | |
| 20 | nNCOPh | number of isocianates (aromatic) | |
| 21 | nSCN | number of thiocianates (aliphatic) | |
| 22 | nSCNPh | number of thiocianates (aromatic) | |
| 23 | nNCS | number of isothiocianates (aliphatic) | |
| 24 | nNCSPh | number of isothiocianates (aromatic) | |
| 25 | nCOOH | number of carboxylic acids (aliphatic) | |
| 26 | nCOOHPh | number of carboxylic acids (aromatic) | |
| 27 | nCOOR | number of esters (aliphatic) | |
| 28 | nCOORPh | number of esters (aromatic) | |
| 29 | nCONH2 | number of primary amides (aliphatic) | |
| 30 | nCONH2Ph | number of primary amides (aromatic) | |
| 31 | nCONHR | number of secondary amides (aliphatic) | |
| 32 | nCONHRPh | number of secondary amides (aromatic) | |
| 33 | nCONR2 | number of tertiary amides (aliphatic) | |
| 34 | nCONR2Ph | number of tertiary amides (aromatic) | |
| 35 | nOCON | number of carbamates (aliphatic) | |
| 36 | nOCONPh | number of carbamates (aromatic) | |
| 37 | nCOX | number of acyl halogenides (aliphatic) | |
| 38 | nCOXPh | number of acyl halogenides (aromatic) | |
| 39 | nCSOH | number of thioacids (aliphatic) | |
| 40 | nCSOHPh | number of thioacids (aromatic) | |
| 41 | nCSSH | number of ditioacids (aliphatic) | |
| 42 | nCSSHPh | number of ditioacids (aromatic) | |
| 43 | nCOSR | number of thioesters (aliphatic) | |
| 44 | nCOSRPh | number of thioesters (aromatic) | |
| 45 | nCSSR | number of dithioesters (aliphatic) | |
| 46 | nCSSRPh | number of dithioesters (aromatic) | |
| 47 | nCOH | number of aldehydes (aliphatic) | |
| 48 | nCOHPh | number of aldehydes (aromatic) | |
| 49 | nCO | number of ketones (aliphatic) | |
| 50 | nCOPh | number of ketones (aromatic) | |
| 51 | nCONN | number of urea derivatives | |
| 52 | nNH2 | number of primary amines (aliphatic) | |
| 53 | nNH2Ph | number of primary amines (aromatic) | |
| 54 | nNHR | number of secondary amines (aliphatic) | |
| 55 | nNHRPh | number of secondary amines (aromatic) | |
| 56 | nNR2 | number of tertiary amines (aliphatic) | |
| 57 | nNR2Ph | number of tertiary amines (aromatic) | |
| 58 | nN-N | number of N hydrazines (aliphatic) | |
| 59 | nN-NPh | number of N hydrazines (aromatic) | |
| 60 | nN=N | number of N azo (aliphatic) | |
| 61 | nN=NPh | number of N azo (aromatic) | |
| 62 | nCN | number of nitriles (aliphatic) | |
| 63 | nCNPh | number of nitriles (aromatic) | |
| 64 | nC=N | number of immines (aliphatic) | |
| 65 | nC=NPh | number of immines (aromatic) | |
| 66 | nN+ | number of ammonium groups (aliphatic) | |
| 67 | nN+Ph | number of ammonium groups (aromatic) | |
| 68 | nNHOH | number of hydroxylamines (aliphatic) | |
| 69 | nNHOHPh | number of hydroxylamines (aromatic) | |
| 70 | nCNOH | number of oximes (aliphatic) | |
| 71 | nCNOHPh | number of oximes (aromatic) | |
| 72 | nNNOx | number of N-nitroso groups (aliphatic) | |
| 73 | nNNOxPh | number of N-nitroso groups (aromatic) | |
| 74 | nNO | number of nitroso groups (aliphatic) | |
| 75 | nNOPh | number of nitroso groups (aromatic) | |
| 76 | nNO2 | number of nitro groups (aliphatic) | |
| 77 | nNO2Ph | number of nitro groups (aromatic) | |
| 78 | nN(CO)2 | number of imides | |
| 79 | nOH | number of total hydroxyl groups | |
| 80 | nOHPh | number of phenols | |
| 81 | nOHp | number of primary alcohols (aliphatic) | |
| 82 | nOHpPh | number of primary alcohols (aromatic) | |
| 83 | nOHs | number of secondary alcohols (aliphatic) | |
| 84 | nOHsPh | number of secondary alcohols (aromatic) | |
| 85 | nOHt | number of tertiary alcohols (aliphatic) | |
| 86 | nOHtPh | number of tertiary alcohols (aromatic) | |
| 87 | nROR | number of ethers (aliphatic) | |
| 88 | nRORPh | number of ethers (aromatic) | |
| 89 | nROX | number of hypohalogenydes (aliphatic) | |
| 90 | nROXPh | number of hypohalogenydes (aromatic) | |
| 91 | nH2O | number of water molecules | |
| 92 | nSO | number of sulfoxides | |
| 93 | nSO2 | number of sulfones | |
| 94 | nSO3/nSO4 | number of sulfates | |
| 95 | nSH | number of thioles | |
| 96 | nCS | number of thioketones | |
| 97 | nRSR | number of solfures | |
| 98 | nRSSR | number of disolfures | |
| 99 | nSO3H | number of sulfonic acids | |
| 100 | nSO2N | number of sulfonamides | |
| 101 | nPO3 | number of phosphites | |
| 102 | nPO4 | number of phosphates | |
| 103 | nPO3S | number of phosphothionates | |
| 104 | nPO2S2 | number of phosphodithionates | |
| 105 | nPO2SR | number of phosphothioates | |
| 106 | nRCH2X | number of CH2X | |
| 107 | nR2CHX | number of CR2HX | |
| 108 | nR3CX | number of CR3X | |
| 109 | nR=CHX | number of R=CHX | |
| 110 | nR=CRX | number of R=CRX | |
| 111 | nR#CX | number of R#CX | |
| 112 | nRCHX2 | number of CHRX2 | |
| 113 | nR2CX2 | number of CR2X2 | |
| 114 | nR=CX2 | number of R=CX2 | |
| 115 | nRCX3 | number of RCX3 | |
| 116 | nPhX | number of X-C on aromatic ring | |
| 117 | nCXr | number of X-C- on ring | |
| 118 | nCXr= | number of X-C= on ring | |
| 119 | nCconjX | number of X-C on conjugated C | |
| 120 | nHDon | number of donor atoms for H-bonds (with N and O) | |
| 121 | nHAcc | number of acceptor atoms for H-bonds (N O F) | |
